#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfq s GLN 3 N 0.00 3.79 0.08 2.61 2.00 -1.26 -4.97 119.66 121.92 1kfq s GLN 3 Ca 0.00 1.76 -0.28 0.00 -2.00 0.00 0.00 55.36 54.84 1kfq s GLN 3 Cb 0.00 -2.43 -0.06 0.00 0.80 0.00 0.00 33.01 31.33 1kfq s GLN 3 CO 0.00 -0.52 0.88 0.08 -0.50 0.00 0.00 175.29 175.23 1kfq s VAL 4 N -1.55 4.59 -0.03 1.34 1.01 -1.26 -4.66 120.40 119.85 1kfq s VAL 4 Ca 0.63 1.89 -0.30 0.00 0.00 0.00 0.00 61.98 64.20 1kfq s VAL 4 Cb -0.28 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1kfq s VAL 4 CO 0.34 0.34 1.37 -0.63 0.00 0.00 0.00 175.10 176.52 1kfq s ILE 5 N -0.04 3.85 1.12 2.22 1.01 0.30 -4.99 121.20 124.67 1kfq s ILE 5 Ca 0.43 1.20 -0.12 0.00 0.00 0.00 0.00 60.65 62.16 1kfq s ILE 5 Cb -0.22 -3.77 0.26 0.00 0.01 0.00 0.00 42.46 38.74 1kfq s ILE 5 CO 0.27 -0.02 1.04 -2.84 0.00 0.00 0.00 174.94 173.40 1kfq s PRO 6 N 2.55 -0.61 0.57 2.79 0.02 -1.26 -1.77 135.00 137.30 1kfq s PRO 6 Ca 0.62 0.88 -0.19 0.00 0.02 0.00 0.00 61.00 62.33 1kfq s PRO 6 Cb -0.29 -1.59 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1kfq s PRO 6 CO 0.25 -3.53 1.15 0.00 -0.33 0.00 0.00 177.00 174.54 1kfq s ALA 7 N -2.53 2.62 0.45 -1.55 0.00 -1.25 -4.24 121.76 115.25 1kfq s ALA 7 Ca 0.68 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 53.23 1kfq s ALA 7 Cb -0.24 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1kfq s ALA 7 CO 0.63 -0.95 1.15 -2.30 0.00 0.00 0.00 175.76 174.30 1kfq n PRO 8 N -1.54 1.59 -4.49 0.00 -0.02 -1.26 -4.82 135.00 124.47 1kfq n PRO 8 Ca 0.12 0.57 -0.26 0.00 -2.02 0.00 0.00 63.50 61.91 1kfq n PRO 8 Cb 0.51 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.60 1kfq n PRO 8 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1kfq s ARG 9 N -2.25 1.33 0.10 -0.52 3.00 0.20 -4.94 118.95 115.88 1kfq s ARG 9 Ca 0.64 -1.11 -0.18 0.00 -1.00 0.00 0.00 55.73 54.07 1kfq s ARG 9 Cb -0.51 -1.58 -0.07 0.00 0.00 0.00 0.00 34.95 32.80 1kfq s ARG 9 CO 0.56 0.38 0.57 0.08 0.00 0.00 0.00 175.30 176.90 1kfq s VAL 10 N -0.99 4.75 -0.25 7.11 1.01 -1.26 -0.62 120.40 130.15 1kfq s VAL 10 Ca 0.09 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 1kfq s VAL 10 Cb -0.10 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.50 1kfq s VAL 10 CO 0.03 0.47 0.04 -1.58 0.00 0.00 0.00 175.10 174.07 1kfq s GLN 11 N -1.35 0.89 0.58 2.72 2.00 -0.54 -4.95 119.66 119.02 1kfq s GLN 11 Ca 0.32 -0.84 -0.20 0.00 -2.00 0.00 0.00 55.36 52.64 1kfq s GLN 11 Cb -0.18 -2.18 -0.05 0.00 0.80 0.00 0.00 33.01 31.40 1kfq s GLN 11 CO 0.19 -0.79 1.13 0.28 -0.50 0.00 0.00 175.29 175.61 1kfq n VAL 12 N 4.87 3.89 -3.66 1.34 0.31 -1.26 -2.73 118.33 121.09 1kfq n VAL 12 Ca -0.06 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.66 1kfq n VAL 12 Cb 0.44 -1.35 -0.05 0.00 -0.91 0.00 0.00 33.84 31.97 1kfq n VAL 12 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1kfq s THR 13 N -1.41 0.07 -0.04 2.52 -1.32 0.83 -4.89 115.64 111.40 1kfq s THR 13 Ca 0.75 -0.58 -0.01 0.00 -1.21 0.00 0.00 61.69 60.65 1kfq s THR 13 Cb -0.42 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 1kfq s THR 13 CO 0.47 -0.32 0.02 -1.58 -2.21 0.00 0.00 174.62 171.00 1kfq s GLN 14 N -3.40 2.94 1.17 7.08 0.74 -1.26 -4.27 119.66 122.66 1kfq s GLN 14 Ca 0.01 -0.49 -0.13 0.00 0.05 0.00 0.00 55.36 54.80 1kfq s GLN 14 Cb 0.01 -2.77 0.29 0.00 1.10 0.00 0.00 33.01 31.64 1kfq s GLN 14 CO -0.09 0.67 1.03 -2.14 -0.55 0.00 0.00 175.29 174.20 1kfq s PRO 15 N -1.28 -0.99 -0.03 1.67 0.02 -1.25 -5.01 135.00 128.14 1kfq s PRO 15 Ca 0.17 0.82 0.02 0.00 0.02 0.00 0.00 61.00 62.02 1kfq s PRO 15 Cb -0.12 -1.55 0.01 0.00 0.02 0.00 0.00 34.50 32.87 1kfq s PRO 15 CO 0.07 -3.76 -0.06 0.71 -0.33 0.00 0.00 177.00 173.63 1kfq s TYR 16 N -2.47 0.69 0.55 6.54 2.02 -1.26 -5.10 117.35 118.32 1kfq s TYR 16 Ca 0.68 -0.16 -0.06 0.00 -0.37 0.00 0.00 57.07 57.17 1kfq s TYR 16 Cb -0.25 -0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 1kfq s TYR 16 CO 0.65 -0.10 0.86 0.00 -1.57 0.00 0.00 175.55 175.38 1kfq s ALA 17 N 0.39 3.34 0.00 3.71 0.00 -1.26 -4.31 121.76 123.63 1kfq s ALA 17 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1kfq s ALA 17 Cb -0.09 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1kfq s ALA 17 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1kfq n GLY 18 N -2.46 2.37 2.48 0.00 0.00 -1.26 -4.93 105.19 101.40 1kfq n GLY 18 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1kfq n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kfq n GLN 19 N -2.00 1.98 -3.71 1.61 6.02 -1.26 -4.81 117.38 115.20 1kfq n GLN 19 Ca 0.00 -1.29 -0.38 0.00 -0.01 0.00 0.00 57.00 55.32 1kfq n GLN 19 Cb 0.00 -2.31 -0.12 0.00 1.02 0.00 0.00 30.24 28.83 1kfq n GLN 19 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1kfq s LYS 20 N 2.90 3.09 0.21 -1.09 2.20 -1.26 -4.52 119.74 121.27 1kfq s LYS 20 Ca 0.42 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 1kfq s LYS 20 Cb 0.13 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 1kfq s LYS 20 CO -0.03 -0.48 1.03 -2.14 -0.36 0.00 0.00 175.35 173.37 1kfq s PRO 21 N 1.53 4.70 0.00 4.03 0.02 -1.26 -4.74 135.00 139.28 1kfq s PRO 21 Ca 0.03 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1kfq s PRO 21 Cb -0.18 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1kfq s PRO 21 CO 0.04 0.27 0.00 0.41 -0.33 0.00 0.00 177.00 177.39 1kfq n GLY 22 N 1.70 0.76 0.10 0.52 0.00 -1.23 -4.82 105.19 102.22 1kfq n GLY 22 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1kfq n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kfq n THR 23 N 0.00 1.63 0.01 2.61 -2.24 -1.26 -3.99 114.28 111.03 1kfq n THR 23 Ca 0.00 -0.76 0.08 0.00 -2.27 0.00 0.00 64.05 61.10 1kfq n THR 23 Cb 0.00 -1.16 0.27 0.00 -2.10 0.00 0.00 70.33 67.34 1kfq n THR 23 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kfq n SER 24 N -3.13 3.48 0.00 3.42 7.64 -1.26 -4.95 113.62 118.82 1kfq n SER 24 Ca -0.23 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1kfq n SER 24 Cb 1.06 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1kfq n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kfq n GLY 25 N 1.16 -2.59 3.74 0.23 0.00 -1.26 -4.84 105.19 101.63 1kfq n GLY 25 Ca 0.20 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1kfq n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfq s LEU 26 N 0.00 4.45 -0.27 0.99 2.96 -0.87 -3.47 118.68 122.47 1kfq s LEU 26 Ca 0.00 2.20 -0.01 0.00 -0.22 0.00 0.00 54.13 56.10 1kfq s LEU 26 Cb 0.00 -3.60 0.13 0.00 0.50 0.00 0.00 46.19 43.21 1kfq s LEU 26 CO 0.00 -0.36 0.29 -0.13 -1.32 0.00 0.00 176.35 174.83 1kfq s ARG 27 N -0.17 0.30 0.32 1.98 0.52 -1.26 -1.56 118.95 119.08 1kfq s ARG 27 Ca 0.53 -0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.77 1kfq s ARG 27 Cb -0.32 -0.74 -0.06 0.00 0.52 0.00 0.00 34.95 34.35 1kfq s ARG 27 CO 0.36 -0.94 -0.04 0.15 0.02 0.00 0.00 175.30 174.85 1kfq s LYS 28 N 2.37 1.69 0.55 3.54 -0.14 -0.88 -4.94 119.74 121.93 1kfq s LYS 28 Ca 0.09 -1.89 -0.19 0.00 -1.36 0.00 0.00 55.97 52.62 1kfq s LYS 28 Cb -0.14 -1.31 -0.05 0.00 -1.68 0.00 0.00 37.83 34.65 1kfq s LYS 28 CO -0.28 0.01 1.13 0.21 -0.76 0.00 0.00 175.35 175.66 1kfq s LYS 29 N -3.72 3.32 0.39 1.68 2.20 -1.26 -0.11 119.74 122.24 1kfq s LYS 29 Ca 0.32 1.59 0.10 0.00 -0.36 0.00 0.00 55.97 57.63 1kfq s LYS 29 Cb 0.05 -2.00 0.89 0.00 -1.51 0.00 0.00 37.83 35.26 1kfq s LYS 29 CO 0.14 -0.87 1.95 0.28 -0.36 0.00 0.00 175.35 176.49 1kfq h VAL 30 N 1.12 0.92 -0.34 4.02 2.07 -1.23 -1.33 116.25 121.47 1kfq h VAL 30 Ca -0.50 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1kfq h VAL 30 Cb 1.26 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1kfq h VAL 30 CO 0.57 0.11 -0.04 0.77 0.02 0.00 0.00 177.57 178.99 1kfq h SER 31 N 0.58 0.51 0.33 0.57 4.64 -1.82 -2.60 113.55 115.76 1kfq h SER 31 Ca 0.33 -0.11 -0.33 0.00 -0.47 0.00 0.00 61.79 61.21 1kfq h SER 31 Cb 0.51 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1kfq h SER 31 CO -0.11 0.61 -1.58 -0.08 -0.87 0.00 0.00 176.83 174.79 1kfq h GLU 32 N 0.51 0.36 0.00 4.77 4.81 -1.72 -3.34 114.58 119.98 1kfq h GLU 32 Ca 0.10 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1kfq h GLU 32 Cb 0.39 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1kfq h GLU 32 CO 0.02 1.26 0.00 0.00 -0.73 0.00 0.00 179.01 179.56 1kfq n ALA 33 N -2.74 1.96 0.95 2.92 0.00 -0.58 -2.61 120.51 120.41 1kfq n ALA 33 Ca -0.19 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.28 1kfq n ALA 33 Cb 1.07 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 19.27 1kfq n ALA 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1kfq n THR 34 N -1.38 0.00 -1.33 0.00 -1.04 -0.99 -4.21 114.28 105.33 1kfq n THR 34 Ca 0.07 -0.44 -0.36 0.00 -2.04 0.00 0.00 64.05 61.29 1kfq n THR 34 Cb 0.18 1.41 0.08 0.00 -1.82 0.00 0.00 70.33 70.19 1kfq n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kfq n GLN 35 N 0.92 0.45 -1.69 -2.82 6.02 -1.07 -4.83 117.38 114.36 1kfq n GLN 35 Ca 0.12 0.20 -0.44 0.00 -0.01 0.00 0.00 57.00 56.87 1kfq n GLN 35 Cb 0.54 -2.10 -0.04 0.00 1.02 0.00 0.00 30.24 29.66 1kfq n GLN 35 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1kfq n PRO 36 N -1.49 2.41 -0.26 -1.09 -0.02 -1.26 -2.08 135.00 131.21 1kfq n PRO 36 Ca 0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1kfq n PRO 36 Cb 0.49 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1kfq n PRO 36 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1kfq n ASN 37 N 3.87 0.00 0.01 2.55 5.03 -1.26 -4.88 115.26 120.59 1kfq n ASN 37 Ca 0.17 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.52 1kfq n ASN 37 Cb 0.31 -0.84 -0.04 0.00 -1.02 0.00 0.00 39.78 38.20 1kfq n ASN 37 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1kfq h TYR 38 N 0.00 -0.37 -0.09 3.10 3.20 -1.72 0.15 116.97 121.24 1kfq h TYR 38 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1kfq h TYR 38 Cb 0.00 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1kfq h TYR 38 CO 0.00 -0.21 0.01 1.25 -1.64 0.00 0.00 178.16 177.57 1kfq h LEU 39 N -0.20 0.14 -0.64 2.82 5.85 -1.78 -3.01 115.31 118.49 1kfq h LEU 39 Ca 0.08 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1kfq h LEU 39 Cb 0.31 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1kfq h LEU 39 CO -0.21 0.38 0.37 -0.33 -0.34 0.00 0.00 178.44 178.31 1kfq h GLU 40 N -0.10 0.68 -0.73 1.25 3.07 -1.89 -0.86 114.58 115.99 1kfq h GLU 40 Ca 0.03 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1kfq h GLU 40 Cb 0.30 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.01 1kfq h GLU 40 CO 0.00 0.45 0.46 -0.91 -1.40 0.00 0.00 179.01 177.61 1kfq h ASN 41 N 0.70 0.75 -0.34 1.42 4.21 -0.72 -0.47 115.58 121.13 1kfq h ASN 41 Ca 0.27 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.69 1kfq h ASN 41 Cb 0.11 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 1kfq h ASN 41 CO -0.15 0.51 -0.16 0.15 -1.29 0.00 0.00 177.43 176.49 1kfq h PHE 42 N 0.89 0.82 -0.51 1.19 3.57 -1.28 -2.11 116.94 119.50 1kfq h PHE 42 Ca 0.30 -0.20 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1kfq h PHE 42 Cb 0.04 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1kfq h PHE 42 CO -0.04 0.92 0.02 0.28 -2.23 0.00 0.00 178.31 177.25 1kfq h VAL 43 N 0.50 1.26 -0.75 1.41 2.07 -0.83 -1.94 116.25 117.97 1kfq h VAL 43 Ca 0.08 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1kfq h VAL 43 Cb 0.70 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1kfq h VAL 43 CO 0.05 0.38 0.29 -0.61 0.02 0.00 0.00 177.57 177.70 1kfq h GLN 44 N 0.77 1.11 -0.52 1.57 5.75 -1.10 -2.29 115.11 120.39 1kfq h GLN 44 Ca 0.15 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1kfq h GLN 44 Cb 0.50 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 1kfq h GLN 44 CO 0.02 0.90 0.31 0.77 -2.65 0.00 0.00 178.83 178.19 1kfq h SER 45 N 1.08 0.62 -0.17 -0.69 0.02 -0.99 0.18 113.55 113.61 1kfq h SER 45 Ca 0.25 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1kfq h SER 45 Cb 0.21 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1kfq h SER 45 CO -0.02 0.48 0.01 0.40 -1.14 0.00 0.00 176.83 176.55 1kfq h ILE 46 N 0.72 1.25 -0.69 3.27 2.04 -0.91 -2.16 117.51 121.02 1kfq h ILE 46 Ca 0.19 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1kfq h ILE 46 Cb -0.03 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1kfq h ILE 46 CO -0.04 0.24 0.37 -0.26 0.00 0.00 0.00 178.15 178.47 1kfq h PHE 47 N 0.04 0.93 0.00 1.37 0.05 -0.81 -1.32 116.94 117.20 1kfq h PHE 47 Ca 0.05 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1kfq h PHE 47 Cb 0.36 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 38.01 1kfq h PHE 47 CO 0.03 0.65 0.00 0.09 -0.18 0.00 0.00 178.31 178.90 1kfq n ASN 48 N -4.37 0.00 0.06 2.17 3.02 0.56 -2.78 115.26 113.92 1kfq n ASN 48 Ca 0.07 0.20 -0.01 0.00 -0.03 0.00 0.00 54.58 54.81 1kfq n ASN 48 Cb 0.10 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 1kfq n ASN 48 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1kfq h THR 49 N 0.00 0.82 -4.24 3.41 2.02 -0.58 -3.45 112.91 110.89 1kfq h THR 49 Ca 0.00 -2.35 -0.47 0.00 0.77 0.00 0.00 66.41 64.35 1kfq h THR 49 Cb 0.34 2.31 0.12 0.00 -1.74 0.00 0.00 68.15 69.19 1kfq h THR 49 CO 0.00 0.47 0.31 -0.76 0.37 0.00 0.00 175.52 175.91 1kfq s LEU 50 N -6.15 2.25 0.14 2.58 1.43 -1.12 -4.99 118.68 112.82 1kfq s LEU 50 Ca -0.01 1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.96 1kfq s LEU 50 Cb 0.08 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.65 1kfq s LEU 50 CO 0.80 -2.33 0.87 -0.60 0.23 0.00 0.00 176.35 175.32 1kfq s ARG 51 N -5.20 4.67 0.39 1.70 3.52 -1.26 -4.95 118.95 117.82 1kfq s ARG 51 Ca 0.63 1.32 0.15 0.00 -0.13 0.00 0.00 55.73 57.69 1kfq s ARG 51 Cb -0.15 -3.32 0.99 0.00 -1.56 0.00 0.00 34.95 30.91 1kfq s ARG 51 CO 0.54 0.39 1.83 0.87 -0.81 0.00 0.00 175.30 178.12 1kfq h LYS 52 N 4.94 0.49 0.00 5.12 6.56 -1.91 0.18 116.57 131.94 1kfq h LYS 52 Ca -0.45 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1kfq h LYS 52 Cb 1.21 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 1kfq h LYS 52 CO 0.69 0.33 0.00 -0.40 -2.06 0.00 0.00 179.45 178.01 1kfq n ASP 53 N -4.58 0.52 0.16 0.86 5.75 -1.26 -2.02 116.55 115.98 1kfq n ASP 53 Ca 0.21 0.65 0.13 0.00 -0.01 0.00 0.00 54.79 55.77 1kfq n ASP 53 Cb 0.68 -0.75 0.46 0.00 -1.03 0.00 0.00 41.12 40.48 1kfq n ASP 53 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1kfq h GLU 54 N 0.00 0.00 0.00 0.11 4.81 -1.03 -3.15 114.58 115.32 1kfq h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kfq h GLU 54 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1kfq h GLU 54 CO 0.00 0.00 -1.06 1.28 -0.73 0.00 0.00 179.01 178.50 1kfq n LEU 55 N -2.53 0.60 0.10 1.64 4.77 -0.86 -4.49 117.00 116.24 1kfq n LEU 55 Ca 0.03 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 1kfq n LEU 55 Cb 0.34 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 1kfq n LEU 55 CO 0.26 0.03 -0.05 0.11 -1.33 0.00 0.00 177.39 176.41 1kfq h LYS 56 N 0.00 0.24 -7.26 3.23 6.56 -1.67 -3.41 116.57 114.26 1kfq h LYS 56 Ca 0.00 -0.41 -0.46 0.00 -1.06 0.00 0.00 60.65 58.72 1kfq h LYS 56 Cb 0.76 0.15 0.18 0.00 -0.57 0.00 0.00 32.23 32.75 1kfq h LYS 56 CO 0.00 1.19 0.14 -2.14 -2.06 0.00 0.00 179.45 176.58 1kfq s PRO 57 N -2.66 0.16 -0.28 3.15 0.02 -1.26 -4.85 135.00 129.28 1kfq s PRO 57 Ca -0.04 0.84 -0.28 0.00 0.02 0.00 0.00 61.00 61.54 1kfq s PRO 57 Cb 0.07 -1.68 -0.03 0.00 0.02 0.00 0.00 34.50 32.88 1kfq s PRO 57 CO 0.88 -3.00 1.94 0.21 -0.33 0.00 0.00 177.00 176.70 1kfq s LYS 58 N -4.72 3.30 0.21 5.54 2.20 -1.26 -4.71 119.74 120.29 1kfq s LYS 58 Ca 0.66 1.66 0.04 0.00 -0.36 0.00 0.00 55.97 57.98 1kfq s LYS 58 Cb -0.21 -4.25 -0.05 0.00 -1.51 0.00 0.00 37.83 31.81 1kfq s LYS 58 CO 0.60 -1.90 -0.04 0.54 -0.36 0.00 0.00 175.35 174.18 1kfq s ASN 59 N 6.73 1.92 -0.10 1.43 6.03 -1.26 -4.85 114.94 124.85 1kfq s ASN 59 Ca 0.87 -1.14 0.02 0.00 -1.03 0.00 0.00 52.86 51.57 1kfq s ASN 59 Cb -0.26 -0.02 0.02 0.00 -3.03 0.00 0.00 41.25 37.96 1kfq s ASN 59 CO 0.34 -0.43 -0.13 -0.69 -2.03 0.00 0.00 177.10 174.16 1kfq s VAL 60 N -3.34 1.34 -0.22 3.54 1.01 -0.84 -0.90 120.40 120.99 1kfq s VAL 60 Ca 0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1kfq s VAL 60 Cb 0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1kfq s VAL 60 CO 0.06 0.41 -0.02 -0.22 0.00 0.00 0.00 175.10 175.33 1kfq s LEU 61 N 1.01 3.03 0.21 3.92 2.96 -0.28 -1.37 118.68 128.16 1kfq s LEU 61 Ca -0.07 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1kfq s LEU 61 Cb -0.15 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1kfq s LEU 61 CO -0.01 0.01 0.45 0.12 -1.32 0.00 0.00 176.35 175.59 1kfq s PHE 62 N 1.34 3.47 -0.16 5.38 5.36 -0.58 -1.50 117.98 131.27 1kfq s PHE 62 Ca 0.04 0.56 -0.03 0.00 -0.96 0.00 0.00 56.93 56.54 1kfq s PHE 62 Cb -0.14 -2.02 0.05 0.00 -0.34 0.00 0.00 43.02 40.57 1kfq s PHE 62 CO -0.01 0.33 0.05 0.08 -1.46 0.00 0.00 175.22 174.21 1kfq s VAL 63 N -1.85 0.26 0.39 3.12 1.01 0.59 -1.22 120.40 122.70 1kfq s VAL 63 Ca 0.42 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1kfq s VAL 63 Cb -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1kfq s VAL 63 CO 0.27 -0.16 0.29 -0.83 0.00 0.00 0.00 175.10 174.66 1kfq s GLY 64 N 1.99 2.07 0.06 4.51 0.00 -0.48 -3.82 107.32 111.65 1kfq s GLY 64 Ca 0.01 -1.87 -0.27 0.00 0.00 0.00 0.00 44.72 42.59 1kfq s GLY 64 CO -0.08 -1.72 0.89 -0.32 0.00 0.00 0.00 173.10 171.87 1kfq s GLY 65 N -4.02 -0.40 0.00 0.20 0.00 -1.00 0.96 107.32 103.06 1kfq s GLY 65 Ca 0.44 0.70 0.23 0.00 0.00 0.00 0.00 44.72 46.08 1kfq s GLY 65 CO 0.26 0.22 1.50 2.09 0.00 0.00 0.00 173.10 177.16 1kfq n ASP 66 N -0.32 3.82 -0.07 1.64 3.85 -0.97 -1.49 116.55 123.01 1kfq n ASP 66 Ca -0.08 -2.00 -0.01 0.00 -0.71 0.00 0.00 54.79 51.99 1kfq n ASP 66 Cb 0.62 -0.42 -0.00 0.00 -1.35 0.00 0.00 41.12 39.96 1kfq n ASP 66 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kfq n GLY 67 N 1.60 0.48 3.79 6.12 0.00 -1.26 -3.74 105.19 112.19 1kfq n GLY 67 Ca 0.23 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1kfq n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kfq s ARG 68 N -0.89 1.99 0.44 1.61 1.70 -1.26 -3.90 118.95 118.63 1kfq s ARG 68 Ca 0.00 0.70 -0.24 0.00 -0.47 0.00 0.00 55.73 55.73 1kfq s ARG 68 Cb 0.00 -1.90 -0.10 0.00 -0.57 0.00 0.00 34.95 32.38 1kfq s ARG 68 CO 0.00 -1.70 1.00 0.98 -1.08 0.00 0.00 175.30 174.50 1kfq n TYR 69 N -3.50 1.14 -0.03 5.89 9.36 -0.26 -2.18 117.16 127.58 1kfq n TYR 69 Ca 0.07 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.84 1kfq n TYR 69 Cb 0.56 -2.22 0.00 0.00 -0.63 0.00 0.00 39.34 37.05 1kfq n TYR 69 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1kfq n PHE 70 N -0.59 0.00 -0.04 2.98 7.35 -1.26 -4.79 117.46 121.10 1kfq n PHE 70 Ca 0.10 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1kfq n PHE 70 Cb 0.40 -0.05 0.28 0.00 0.35 0.00 0.00 39.48 40.47 1kfq n PHE 70 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1kfq h ASN 71 N 0.00 0.58 -0.09 -2.13 4.21 -1.80 -1.21 115.58 115.14 1kfq h ASN 71 Ca 0.00 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 1kfq h ASN 71 Cb 0.00 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.05 1kfq h ASN 71 CO 0.00 0.58 0.00 0.03 -1.29 0.00 0.00 177.43 176.76 1kfq h ARG 72 N 0.61 0.15 -0.34 0.81 3.08 -1.90 0.40 114.38 117.20 1kfq h ARG 72 Ca 0.14 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1kfq h ARG 72 Cb 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1kfq h ARG 72 CO -0.00 0.40 0.11 1.96 -1.07 0.00 0.00 179.97 181.37 1kfq h GLN 73 N -0.12 0.48 -0.03 0.04 7.50 -1.94 -2.71 115.11 118.34 1kfq h GLN 73 Ca 0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 1kfq h GLN 73 Cb 0.33 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 1kfq h GLN 73 CO 0.00 0.43 -0.00 0.00 -1.50 0.00 0.00 178.83 177.76 1kfq h ALA 74 N 1.65 0.04 -0.21 3.87 0.00 -0.92 -2.36 119.26 121.32 1kfq h ALA 74 Ca 0.12 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1kfq h ALA 74 Cb 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1kfq h ALA 74 CO -0.01 -0.28 -0.43 0.82 0.00 0.00 0.00 179.25 179.36 1kfq h ILE 75 N -0.27 0.13 -0.64 0.00 2.04 -0.60 0.20 117.51 118.37 1kfq h ILE 75 Ca 0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1kfq h ILE 75 Cb 0.36 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1kfq h ILE 75 CO 0.00 0.00 0.31 -0.26 0.00 0.00 0.00 178.15 178.20 1kfq h PHE 76 N -0.45 0.55 -0.56 1.37 0.04 -1.57 0.68 116.94 117.00 1kfq h PHE 76 Ca 0.09 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.96 1kfq h PHE 76 Cb 0.62 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 1kfq h PHE 76 CO -0.53 0.22 0.24 1.03 -0.60 0.00 0.00 178.31 178.67 1kfq h SER 77 N 0.55 0.29 -0.44 2.17 0.87 -0.71 -0.92 113.55 115.37 1kfq h SER 77 Ca 0.30 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 1kfq h SER 77 Cb 0.28 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1kfq h SER 77 CO -0.24 0.19 0.20 0.40 -0.53 0.00 0.00 176.83 176.85 1kfq h ILE 78 N 0.45 1.18 -0.33 2.23 2.04 0.12 -1.37 117.51 121.84 1kfq h ILE 78 Ca 0.27 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1kfq h ILE 78 Cb 0.26 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1kfq h ILE 78 CO -0.24 0.22 0.06 0.40 0.00 0.00 0.00 178.15 178.59 1kfq h ILE 79 N 0.69 1.23 -0.24 -0.67 2.04 0.23 0.60 117.51 121.38 1kfq h ILE 79 Ca 0.17 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1kfq h ILE 79 Cb 0.13 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1kfq h ILE 79 CO -0.02 0.26 0.13 0.03 0.00 0.00 0.00 178.15 178.56 1kfq h ARG 80 N 0.37 0.33 0.00 2.37 3.08 -0.74 0.64 114.38 120.43 1kfq h ARG 80 Ca 0.10 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1kfq h ARG 80 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1kfq h ARG 80 CO 0.00 0.30 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.64 1kfq h LEU 81 N 0.28 0.00 -0.23 3.04 4.07 -1.17 -0.21 115.31 121.09 1kfq h LEU 81 Ca 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 1kfq h LEU 81 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1kfq h LEU 81 CO -0.01 0.49 0.00 0.00 -1.08 0.00 0.00 178.44 177.84 1kfq h ALA 82 N 1.51 0.31 -0.18 1.53 0.00 0.66 -0.91 119.26 122.18 1kfq h ALA 82 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1kfq h ALA 82 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1kfq h ALA 82 CO 0.06 0.03 0.03 -0.92 0.00 0.00 0.00 179.25 178.46 1kfq h TYR 83 N 0.18 0.31 0.00 0.00 5.03 -0.73 -1.24 116.97 120.53 1kfq h TYR 83 Ca 0.07 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 1kfq h TYR 83 Cb 0.40 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.59 1kfq h TYR 83 CO 0.03 0.45 -0.02 0.00 -1.32 0.00 0.00 178.16 177.30 1kfq h ALA 84 N 0.83 1.68 -0.49 1.82 0.00 -0.94 -1.54 119.26 120.62 1kfq h ALA 84 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kfq h ALA 84 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1kfq h ALA 84 CO 0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1kfq n ASN 85 N -4.10 3.64 -0.00 0.00 4.13 -0.36 -4.79 115.26 113.78 1kfq n ASN 85 Ca -0.03 -2.31 -0.00 0.00 1.68 0.00 0.00 54.58 53.92 1kfq n ASN 85 Cb 0.11 -0.49 -0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1kfq n ASN 85 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1kfq n ASP 86 N 0.82 -2.30 -4.76 6.41 2.03 -0.58 -4.92 116.55 113.25 1kfq n ASP 86 Ca 0.19 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.11 1kfq n ASP 86 Cb 0.68 -0.51 -0.06 0.00 -0.72 0.00 0.00 41.12 40.52 1kfq n ASP 86 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1kfq s ILE 87 N -2.00 4.01 0.00 5.18 -1.09 -0.49 -4.71 121.20 122.10 1kfq s ILE 87 Ca 0.00 1.98 -0.19 0.00 -2.23 0.00 0.00 60.65 60.21 1kfq s ILE 87 Cb 0.00 -4.24 -0.31 0.00 -1.58 0.00 0.00 42.46 36.33 1kfq s ILE 87 CO 0.00 0.43 1.00 0.28 -1.23 0.00 0.00 174.94 175.42 1kfq h SER 88 N 3.97 0.67 -4.86 3.58 0.02 -1.83 -3.42 113.55 111.68 1kfq h SER 88 Ca -0.45 -0.89 -0.17 0.00 -0.84 0.00 0.00 61.79 59.43 1kfq h SER 88 Cb 1.20 -0.22 -0.22 0.00 0.14 0.00 0.00 62.40 63.31 1kfq h SER 88 CO 0.67 1.50 -0.69 -1.61 -1.14 0.00 0.00 176.83 175.57 1kfq s GLU 89 N -2.70 0.29 -0.17 3.45 2.02 -0.08 -1.94 118.70 119.57 1kfq s GLU 89 Ca -0.11 -0.54 -0.00 0.00 0.02 0.00 0.00 54.97 54.34 1kfq s GLU 89 Cb 0.03 0.10 0.04 0.00 0.10 0.00 0.00 34.13 34.41 1kfq s GLU 89 CO 0.88 -0.05 -0.06 0.08 0.02 0.00 0.00 175.26 176.13 1kfq s VAL 90 N -1.31 1.22 -0.15 2.63 1.01 -0.88 -1.13 120.40 121.79 1kfq s VAL 90 Ca -0.14 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 1kfq s VAL 90 Cb -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1kfq s VAL 90 CO -0.01 0.15 0.10 -1.00 0.00 0.00 0.00 175.10 174.34 1kfq s HIS 91 N 1.59 3.42 0.03 5.22 3.76 -0.56 -0.65 115.29 128.10 1kfq s HIS 91 Ca 0.00 0.34 -0.08 0.00 -0.15 0.00 0.00 55.06 55.17 1kfq s HIS 91 Cb -0.15 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1kfq s HIS 91 CO -0.08 0.48 0.16 0.54 -0.85 0.00 0.00 174.74 174.99 1kfq s VAL 92 N -0.40 0.11 0.61 -0.90 0.11 -0.52 -0.30 120.40 119.12 1kfq s VAL 92 Ca 0.11 -0.88 -0.12 0.00 -2.93 0.00 0.00 61.98 58.15 1kfq s VAL 92 Cb -0.12 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1kfq s VAL 92 CO 0.02 -0.49 1.03 -0.83 -3.33 0.00 0.00 175.10 171.50 1kfq s GLY 93 N -1.92 1.77 0.10 6.54 0.00 -1.25 -0.51 107.32 112.05 1kfq s GLY 93 Ca -0.07 0.02 -0.34 0.00 0.00 0.00 0.00 44.72 44.33 1kfq s GLY 93 CO -0.03 0.31 1.67 -0.18 0.00 0.00 0.00 173.10 174.87 1kfq n GLN 94 N -2.53 2.22 -1.18 2.90 7.27 -0.70 0.27 117.38 125.63 1kfq n GLN 94 Ca 0.07 0.80 -0.06 0.00 0.07 0.00 0.00 57.00 57.88 1kfq n GLN 94 Cb 0.54 -2.60 -0.03 0.00 2.41 0.00 0.00 30.24 30.56 1kfq n GLN 94 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kfq n ALA 95 N 4.38 -0.09 -1.22 1.69 0.00 -0.61 -1.86 120.51 122.80 1kfq n ALA 95 Ca 0.18 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.69 1kfq n ALA 95 Cb 0.30 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 1kfq n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfq n GLY 96 N -0.79 0.61 3.58 0.00 0.00 0.14 -4.89 105.19 103.85 1kfq n GLY 96 Ca -0.06 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1kfq n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kfq s LEU 97 N -0.87 3.85 -0.30 0.99 1.02 -0.78 -3.37 118.68 119.22 1kfq s LEU 97 Ca 0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 54.13 54.09 1kfq s LEU 97 Cb 0.00 -2.03 0.18 0.00 0.02 0.00 0.00 46.19 44.36 1kfq s LEU 97 CO 0.00 0.03 0.75 -0.32 0.02 0.00 0.00 176.35 176.83 1kfq s MET 98 N 1.24 0.44 0.88 1.70 1.75 -0.55 -4.09 119.30 120.67 1kfq s MET 98 Ca 0.06 0.79 -0.11 0.00 -1.25 0.00 0.00 55.69 55.18 1kfq s MET 98 Cb -0.14 0.44 0.11 0.00 2.84 0.00 0.00 34.83 38.08 1kfq s MET 98 CO 0.05 -0.47 1.11 -1.13 -0.65 0.00 0.00 175.02 173.92 1kfq n SER 99 N 5.44 0.40 -0.17 1.11 3.41 -1.26 -2.38 113.62 120.16 1kfq n SER 99 Ca -0.03 0.48 -0.02 0.00 -0.26 0.00 0.00 58.87 59.04 1kfq n SER 99 Cb 0.52 -1.47 0.08 0.00 -0.26 0.00 0.00 64.21 63.08 1kfq n SER 99 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1kfq h THR 100 N -1.50 0.72 -0.18 6.66 2.02 -1.85 0.36 112.91 119.14 1kfq h THR 100 Ca -0.44 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1kfq h THR 100 Cb 1.28 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1kfq h THR 100 CO 0.42 0.05 0.12 -0.65 0.37 0.00 0.00 175.52 175.83 1kfq h PRO 101 N 0.27 0.24 0.00 6.66 0.11 -1.81 -1.21 132.00 136.26 1kfq h PRO 101 Ca 0.27 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 1kfq h PRO 101 Cb 0.36 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1kfq h PRO 101 CO -0.33 0.17 -0.24 0.00 -0.21 0.00 0.00 178.00 177.40 1kfq h ALA 102 N 1.05 1.42 -0.33 -0.75 0.00 -1.73 -2.10 119.26 116.83 1kfq h ALA 102 Ca 0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1kfq h ALA 102 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1kfq h ALA 102 CO -0.01 0.30 -0.22 0.77 0.00 0.00 0.00 179.25 180.08 1kfq h SER 103 N 0.00 0.76 -0.47 0.00 0.02 0.30 -0.10 113.55 114.06 1kfq h SER 103 Ca -0.00 -0.44 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1kfq h SER 103 Cb 0.47 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1kfq h SER 103 CO 0.03 1.03 0.17 -1.28 -1.14 0.00 0.00 176.83 175.65 1kfq h SER 104 N 0.49 0.67 -0.50 3.07 0.87 -0.84 -1.61 113.55 115.70 1kfq h SER 104 Ca 0.06 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 1kfq h SER 104 Cb 0.78 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1kfq h SER 104 CO 0.06 0.67 -0.07 -0.74 -0.53 0.00 0.00 176.83 176.22 1kfq h HIS 105 N 0.63 1.06 -0.37 2.24 6.17 -1.32 -0.67 115.15 122.90 1kfq h HIS 105 Ca 0.16 -0.20 -0.00 0.00 0.71 0.00 0.00 60.37 61.03 1kfq h HIS 105 Cb 0.22 -0.27 -0.02 0.00 2.52 0.00 0.00 27.41 29.87 1kfq h HIS 105 CO 0.01 0.98 0.22 -0.92 0.71 0.00 0.00 177.93 178.92 1kfq h TYR 106 N 0.87 0.49 -0.12 5.26 3.20 -0.78 0.43 116.97 126.32 1kfq h TYR 106 Ca 0.15 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1kfq h TYR 106 Cb 0.61 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1kfq h TYR 106 CO 0.04 0.36 0.02 0.82 -1.64 0.00 0.00 178.16 177.76 1kfq h ILE 107 N 0.47 0.94 -0.66 1.81 2.04 -1.14 -1.63 117.51 119.34 1kfq h ILE 107 Ca 0.13 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 1kfq h ILE 107 Cb 0.02 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1kfq h ILE 107 CO -0.02 0.01 0.30 0.03 0.00 0.00 0.00 178.15 178.47 1kfq h ARG 108 N 0.07 0.95 -0.30 2.37 3.08 -0.72 -2.35 114.38 117.47 1kfq h ARG 108 Ca 0.05 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1kfq h ARG 108 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1kfq h ARG 108 CO -0.08 0.74 0.06 -0.22 -1.07 0.00 0.00 179.97 179.41 1kfq h LYS 109 N 0.94 0.49 -0.36 0.04 3.64 0.30 -1.86 116.57 119.75 1kfq h LYS 109 Ca 0.23 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1kfq h LYS 109 Cb 0.12 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1kfq h LYS 109 CO -0.03 0.58 -0.12 0.28 -2.27 0.00 0.00 179.45 177.89 1kfq h VAL 110 N 0.32 1.25 -0.00 2.00 2.07 -1.20 -2.28 116.25 118.41 1kfq h VAL 110 Ca 0.09 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1kfq h VAL 110 Cb 0.32 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1kfq h VAL 110 CO 0.00 0.37 -0.00 0.59 0.02 0.00 0.00 177.57 178.55 1kfq n ASN 111 N -4.18 0.01 -0.02 0.57 3.02 -0.90 -1.19 115.26 112.58 1kfq n ASN 111 Ca 0.01 0.10 -0.17 0.00 -0.03 0.00 0.00 54.58 54.49 1kfq n ASN 111 Cb 0.35 -0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.02 1kfq n ASN 111 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kfq n GLU 112 N -1.37 0.71 -0.08 3.52 1.02 -0.71 -3.51 120.64 120.23 1kfq n GLU 112 Ca 0.11 0.25 -0.12 0.00 -0.02 0.00 0.00 57.16 57.38 1kfq n GLU 112 Cb 0.28 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 1kfq n GLU 112 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1kfq h GLU 113 N 0.04 0.00 0.00 3.49 5.08 -1.38 -3.44 114.58 118.38 1kfq h GLU 113 Ca -0.41 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.58 1kfq h GLU 113 Cb 2.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.22 1kfq h GLU 113 CO 0.07 0.65 -2.24 0.28 -1.00 0.00 0.00 179.01 176.77 1kfq n VAL 114 N -4.59 1.22 -0.47 3.13 0.31 -0.33 -5.05 118.33 112.55 1kfq n VAL 114 Ca -0.14 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1kfq n VAL 114 Cb 0.41 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1kfq n VAL 114 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kfq n GLY 115 N 1.66 0.75 1.14 2.92 0.00 -0.34 -4.97 105.19 106.34 1kfq n GLY 115 Ca -0.43 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.50 1kfq n GLY 115 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kfq n ASN 116 N 0.30 4.28 -4.64 1.61 6.94 -1.26 -4.92 115.26 117.57 1kfq n ASN 116 Ca 0.00 -2.88 -0.40 0.00 -0.02 0.00 0.00 54.58 51.28 1kfq n ASN 116 Cb 0.00 -0.55 -0.07 0.00 -2.36 0.00 0.00 39.78 36.80 1kfq n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kfq n ILE 118 N 4.96 0.05 0.00 0.00 -5.35 -0.47 -4.61 119.36 113.94 1kfq n ILE 118 Ca -0.02 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1kfq n ILE 118 Cb 0.50 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 1kfq n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kfq n GLY 119 N 1.03 0.63 3.23 3.28 0.00 -1.26 -4.13 105.19 107.96 1kfq n GLY 119 Ca 0.16 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 1kfq n GLY 119 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kfq s GLY 120 N 0.00 -0.23 -0.24 -0.02 0.00 0.86 -1.53 107.32 106.16 1kfq s GLY 120 Ca 0.00 0.81 -0.14 0.00 0.00 0.00 0.00 44.72 45.39 1kfq s GLY 120 CO 0.00 0.67 0.32 -0.42 0.00 0.00 0.00 173.10 173.66 1kfq s ILE 121 N -0.13 5.24 -0.28 0.90 1.01 -0.36 0.41 121.20 127.99 1kfq s ILE 121 Ca -0.03 0.49 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 1kfq s ILE 121 Cb -0.03 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1kfq s ILE 121 CO 0.01 0.24 0.06 -0.63 0.00 0.00 0.00 174.94 174.63 1kfq s ILE 122 N 1.53 3.94 -1.17 2.92 1.01 0.91 -1.38 121.20 128.97 1kfq s ILE 122 Ca 0.14 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1kfq s ILE 122 Cb -0.15 -2.98 0.11 0.00 0.01 0.00 0.00 42.46 39.44 1kfq s ILE 122 CO 0.08 0.15 1.50 -0.76 0.00 0.00 0.00 174.94 175.92 1kfq s LEU 123 N 1.51 4.32 -0.06 2.97 1.43 0.27 -1.49 118.68 127.64 1kfq s LEU 123 Ca 0.03 -2.38 -0.14 0.00 -1.03 0.00 0.00 54.13 50.62 1kfq s LEU 123 Cb -0.17 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1kfq s LEU 123 CO 0.02 -1.09 0.33 0.28 0.23 0.00 0.00 176.35 176.12 1kfq s THR 124 N 3.33 0.03 -0.19 5.49 -1.32 -0.94 -2.28 115.64 119.76 1kfq s THR 124 Ca 0.46 -0.28 0.14 0.00 -1.21 0.00 0.00 61.69 60.80 1kfq s THR 124 Cb -0.00 -0.57 0.40 0.00 -1.51 0.00 0.00 72.50 70.82 1kfq s THR 124 CO -0.00 -0.15 1.25 0.00 -2.21 0.00 0.00 174.62 173.50 1kfq n ALA 125 N 1.93 3.21 -0.68 11.08 0.00 -1.26 -3.72 120.51 131.08 1kfq n ALA 125 Ca -0.18 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1kfq n ALA 125 Cb 0.57 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1kfq n ALA 125 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kfq n SER 126 N -1.18 0.00 -1.11 0.00 2.88 -1.26 -1.40 113.62 111.55 1kfq n SER 126 Ca 0.20 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.83 1kfq n SER 126 Cb 0.74 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.46 1kfq n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kfq n HIS 127 N 10.19 0.85 -2.78 0.66 1.44 -1.26 -3.31 115.22 121.01 1kfq n HIS 127 Ca 0.00 -0.40 -0.36 0.00 -2.01 0.00 0.00 57.72 54.95 1kfq n HIS 127 Cb 0.00 -0.04 -0.07 0.00 0.12 0.00 0.00 29.99 30.01 1kfq n HIS 127 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1kfq s ASN 128 N -0.96 7.20 0.95 4.39 -0.87 -0.49 -3.98 114.94 121.18 1kfq s ASN 128 Ca 0.39 1.80 -0.11 0.00 -1.57 0.00 0.00 52.86 53.37 1kfq s ASN 128 Cb 0.21 -2.57 0.15 0.00 -0.02 0.00 0.00 41.25 39.02 1kfq s ASN 128 CO 0.25 -0.17 1.02 -2.65 -2.57 0.00 0.00 177.10 172.98 1kfq n PRO 129 N 0.19 -0.66 -4.19 -0.60 -0.02 -1.26 -4.68 135.00 123.78 1kfq n PRO 129 Ca 0.04 -0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.27 1kfq n PRO 129 Cb 0.51 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1kfq n PRO 129 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1kfq s GLY 130 N -2.52 1.19 0.00 -1.23 0.00 -1.26 -0.63 107.32 102.87 1kfq s GLY 130 Ca 0.66 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1kfq s GLY 130 CO 0.60 -1.41 0.00 0.61 0.00 0.00 0.00 173.10 172.90 1kfq n GLY 131 N -0.19 3.67 0.34 0.20 0.00 -1.20 -4.39 105.19 103.62 1kfq n GLY 131 Ca -0.03 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 1kfq n GLY 131 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kfq h LYS 132 N 0.00 -0.58 0.00 1.61 3.64 -1.92 -1.88 116.57 117.44 1kfq h LYS 132 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1kfq h LYS 132 Cb 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1kfq h LYS 132 CO 0.00 -0.39 0.00 0.39 -2.27 0.00 0.00 179.45 177.18 1kfq n GLU 133 N -5.42 0.00 -2.59 1.90 1.02 -1.26 -4.38 120.64 109.91 1kfq n GLU 133 Ca -0.08 0.27 -0.28 0.00 -0.02 0.00 0.00 57.16 57.05 1kfq n GLU 133 Cb 0.33 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.52 1kfq n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1kfq n HIS 134 N -1.23 3.58 -4.58 -0.32 8.25 -1.26 -4.84 115.22 114.82 1kfq n HIS 134 Ca 0.00 -3.33 -0.27 0.00 -0.26 0.00 0.00 57.72 53.86 1kfq n HIS 134 Cb 0.00 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 1kfq n HIS 134 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1kfq s GLY 135 N -3.40 2.42 0.23 -1.41 0.00 -0.71 -4.59 107.32 99.86 1kfq s GLY 135 Ca 0.48 -2.24 0.08 0.00 0.00 0.00 0.00 44.72 43.04 1kfq s GLY 135 CO -0.18 -2.07 0.07 0.99 0.00 0.00 0.00 173.10 171.90 1kfq s ASP 136 N -3.69 4.98 -0.05 1.64 -0.00 0.20 -0.77 116.67 118.98 1kfq s ASP 136 Ca 0.35 -0.42 0.03 0.00 -0.00 0.00 0.00 52.55 52.51 1kfq s ASP 136 Cb 0.08 -1.11 0.00 0.00 -0.00 0.00 0.00 42.92 41.89 1kfq s ASP 136 CO 0.18 0.01 -0.14 0.12 -0.00 0.00 0.00 175.17 175.34 1kfq s PHE 137 N -2.08 1.51 0.15 4.23 5.36 0.85 -4.52 117.98 123.48 1kfq s PHE 137 Ca 0.31 -0.47 0.11 0.00 -0.96 0.00 0.00 56.93 55.92 1kfq s PHE 137 Cb -0.08 -1.05 -0.04 0.00 -0.34 0.00 0.00 43.02 41.51 1kfq s PHE 137 CO 0.21 -0.19 -0.25 0.20 -1.46 0.00 0.00 175.22 173.73 1kfq s GLY 138 N 0.26 1.60 -0.15 13.12 0.00 -1.25 -2.07 107.32 118.83 1kfq s GLY 138 Ca -0.07 -1.52 -0.06 0.00 0.00 0.00 0.00 44.72 43.06 1kfq s GLY 138 CO 0.02 -1.52 0.32 -0.42 0.00 0.00 0.00 173.10 171.51 1kfq s ILE 139 N -1.33 -0.27 0.15 0.90 1.01 -0.60 -2.21 121.20 118.85 1kfq s ILE 139 Ca 0.16 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.96 1kfq s ILE 139 Cb -0.09 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1kfq s ILE 139 CO 0.07 0.08 0.12 -1.59 0.00 0.00 0.00 174.94 173.62 1kfq s LYS 140 N 1.92 1.03 -0.05 2.79 -2.85 -0.55 -2.04 119.74 119.98 1kfq s LYS 140 Ca -0.05 -1.40 0.05 0.00 -1.00 0.00 0.00 55.97 53.57 1kfq s LYS 140 Cb -0.11 0.28 -0.00 0.00 -2.06 0.00 0.00 37.83 35.94 1kfq s LYS 140 CO -0.10 -0.32 -0.19 0.12 0.10 0.00 0.00 175.35 174.95 1kfq s PHE 141 N -4.05 1.91 -0.07 1.78 5.36 -1.26 -0.06 117.98 121.60 1kfq s PHE 141 Ca 0.25 -0.57 0.04 0.00 -0.96 0.00 0.00 56.93 55.69 1kfq s PHE 141 Cb 0.06 -1.28 -0.02 0.00 -0.34 0.00 0.00 43.02 41.45 1kfq s PHE 141 CO 0.03 -0.19 -0.20 -0.80 -1.46 0.00 0.00 175.22 172.60 1kfq s ASN 142 N 0.01 3.52 1.01 6.13 0.02 0.17 -0.62 114.94 125.18 1kfq s ASN 142 Ca -0.04 -0.39 -0.04 0.00 -1.02 0.00 0.00 52.86 51.37 1kfq s ASN 142 Cb -0.12 -1.00 0.05 0.00 0.02 0.00 0.00 41.25 40.19 1kfq s ASN 142 CO 0.03 0.26 0.29 1.33 0.02 0.00 0.00 177.10 179.02 1kfq n VAL 143 N 2.90 0.00 0.07 1.60 0.24 -0.56 -0.10 118.33 122.47 1kfq n VAL 143 Ca -0.17 -0.20 0.21 0.00 -2.04 0.00 0.00 64.34 62.13 1kfq n VAL 143 Cb 0.52 -1.76 0.73 0.00 -1.47 0.00 0.00 33.84 31.86 1kfq n VAL 143 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1kfq h ARG 144 N 0.00 0.00 -0.01 7.34 3.08 -1.82 0.94 114.38 123.91 1kfq h ARG 144 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1kfq h ARG 144 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1kfq h ARG 144 CO 0.07 0.00 -0.10 0.25 -1.07 0.00 0.00 179.97 179.12 1kfq n THR 145 N -3.75 0.00 -0.73 2.04 -2.24 -1.26 -4.57 114.28 103.78 1kfq n THR 145 Ca 0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1kfq n THR 145 Cb 0.67 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1kfq n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfq n GLY 146 N 1.23 1.07 3.88 3.38 0.00 0.32 -4.68 105.19 110.40 1kfq n GLY 146 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1kfq n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfq s ALA 147 N -3.55 3.32 0.50 4.61 0.00 -1.26 -4.59 121.76 120.79 1kfq s ALA 147 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 51.96 51.47 1kfq s ALA 147 Cb 0.00 -2.73 -0.07 0.00 0.00 0.00 0.00 23.12 20.32 1kfq s ALA 147 CO 0.00 -0.19 1.41 -2.30 0.00 0.00 0.00 175.76 174.68 1kfq n PRO 148 N -1.74 2.01 -1.72 0.00 -0.02 -1.26 -1.50 135.00 130.77 1kfq n PRO 148 Ca 0.02 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1kfq n PRO 148 Cb 0.54 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1kfq n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kfq n ALA 149 N -0.60 1.56 -0.50 3.55 0.00 0.21 -4.69 120.51 120.05 1kfq n ALA 149 Ca 0.08 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 1kfq n ALA 149 Cb 0.43 -2.30 0.23 0.00 0.00 0.00 0.00 19.45 17.81 1kfq n ALA 149 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kfq n PRO 150 N 0.33 -2.66 -0.17 0.00 -0.02 -1.26 -4.74 135.00 126.49 1kfq n PRO 150 Ca 0.05 -0.76 -0.11 0.00 -2.02 0.00 0.00 63.50 60.65 1kfq n PRO 150 Cb 0.38 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1kfq n PRO 150 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1kfq h GLU 151 N -2.68 0.98 -0.18 -0.52 4.81 -1.95 -2.48 114.58 112.56 1kfq h GLU 151 Ca -0.54 -0.40 -0.12 0.00 -0.13 0.00 0.00 59.36 58.18 1kfq h GLU 151 Cb 1.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1kfq h GLU 151 CO 0.39 1.07 -0.39 0.38 -0.73 0.00 0.00 179.01 179.73 1kfq h ASP 152 N 0.84 0.42 -0.21 1.04 2.03 -1.99 -2.01 116.42 116.53 1kfq h ASP 152 Ca 0.12 -0.18 -0.04 0.00 -0.73 0.00 0.00 57.03 56.20 1kfq h ASP 152 Cb 0.74 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 1kfq h ASP 152 CO 0.06 0.77 -0.04 0.15 -1.03 0.00 0.00 179.24 179.15 1kfq h PHE 153 N 0.33 0.45 0.00 4.15 3.57 -1.89 -2.44 116.94 121.11 1kfq h PHE 153 Ca 0.03 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1kfq h PHE 153 Cb 0.84 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1kfq h PHE 153 CO 0.02 0.63 -0.23 1.79 -2.23 0.00 0.00 178.31 178.30 1kfq h THR 154 N 0.14 0.86 -0.03 4.41 1.35 -1.36 -1.49 112.91 116.79 1kfq h THR 154 Ca 0.06 -0.90 -0.11 0.00 -0.55 0.00 0.00 66.41 64.91 1kfq h THR 154 Cb 0.48 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1kfq h THR 154 CO 0.02 0.23 -0.51 0.44 -0.25 0.00 0.00 175.52 175.45 1kfq h ASP 155 N 0.00 0.08 -0.07 5.36 3.45 -1.09 -2.38 116.42 121.77 1kfq h ASP 155 Ca -0.00 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 1kfq h ASP 155 Cb 0.51 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1kfq h ASP 155 CO 0.03 0.57 -0.13 1.56 -1.57 0.00 0.00 179.24 179.70 1kfq h GLN 156 N 0.06 0.21 -0.71 3.56 1.08 -0.83 -2.23 115.11 116.24 1kfq h GLN 156 Ca -0.00 -0.14 0.14 0.00 -1.45 0.00 0.00 58.65 57.20 1kfq h GLN 156 Cb 0.92 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 28.27 1kfq h GLN 156 CO 0.07 0.72 0.24 0.82 -0.95 0.00 0.00 178.83 179.73 1kfq h ILE 157 N -0.27 0.64 0.55 2.54 2.04 -1.23 0.66 117.51 122.43 1kfq h ILE 157 Ca 0.00 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1kfq h ILE 157 Cb 0.71 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1kfq h ILE 157 CO 0.03 0.07 -0.27 0.22 0.00 0.00 0.00 178.15 178.20 1kfq h TYR 158 N 0.38 -0.70 -0.72 1.37 3.20 -1.38 -2.20 116.97 116.92 1kfq h TYR 158 Ca 0.39 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.39 1kfq h TYR 158 Cb 0.60 0.23 -0.10 0.00 1.54 0.00 0.00 36.73 39.00 1kfq h TYR 158 CO -0.20 -0.43 0.23 1.15 -1.64 0.00 0.00 178.16 177.27 1kfq h THR 159 N -0.74 0.60 0.00 1.81 2.02 -0.69 0.19 112.91 116.09 1kfq h THR 159 Ca -0.07 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1kfq h THR 159 Cb 0.57 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1kfq h THR 159 CO 0.12 0.06 -0.06 0.45 0.37 0.00 0.00 175.52 176.47 1kfq h HIS 160 N 0.34 0.00 0.05 3.16 3.86 -0.63 -2.78 115.15 119.15 1kfq h HIS 160 Ca 0.40 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.38 1kfq h HIS 160 Cb 0.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1kfq h HIS 160 CO -0.21 0.06 -1.05 1.79 0.86 0.00 0.00 177.93 179.37 1kfq h THR 161 N 0.00 1.58 -0.02 2.45 1.35 0.00 -2.42 112.91 115.86 1kfq h THR 161 Ca -0.00 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.78 1kfq h THR 161 Cb 0.23 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1kfq h THR 161 CO 0.01 0.89 0.00 0.35 -0.25 0.00 0.00 175.52 176.52 1kfq n THR 162 N -3.50 0.02 0.02 6.82 -2.24 -1.05 -4.02 114.28 110.33 1kfq n THR 162 Ca -0.04 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1kfq n THR 162 Cb 0.93 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1kfq n THR 162 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kfq n LYS 163 N -0.68 0.00 0.00 -0.78 5.02 -1.22 -4.94 118.16 115.57 1kfq n LYS 163 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1kfq n LYS 163 Cb 0.13 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 1kfq n LYS 163 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1kfq n ILE 164 N -3.14 0.00 -0.13 -0.18 3.06 -0.91 -4.75 119.36 113.31 1kfq n ILE 164 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1kfq n ILE 164 Cb 0.33 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.51 1kfq n ILE 164 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1kfq n LYS 165 N 0.00 1.74 -3.76 9.51 5.02 -1.26 -3.80 118.16 125.61 1kfq n LYS 165 Ca 0.00 -0.23 -0.07 0.00 -2.02 0.00 0.00 58.31 55.99 1kfq n LYS 165 Cb 0.00 -0.69 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 1kfq n LYS 165 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1kfq s GLU 166 N -0.32 1.52 0.20 1.97 -1.05 -1.26 -0.12 118.70 119.65 1kfq s GLU 166 Ca 0.00 -0.80 -0.22 0.00 -0.15 0.00 0.00 54.97 53.79 1kfq s GLU 166 Cb 0.00 0.54 0.05 0.00 -0.44 0.00 0.00 34.13 34.28 1kfq s GLU 166 CO 0.00 -0.69 0.67 1.52 0.95 0.00 0.00 175.26 177.71 1kfq s TYR 167 N -3.69 -0.38 -0.10 4.83 -0.85 -1.11 -4.91 117.35 111.15 1kfq s TYR 167 Ca 0.10 0.07 -0.06 0.00 -0.52 0.00 0.00 57.07 56.66 1kfq s TYR 167 Cb -0.04 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 1kfq s TYR 167 CO 0.02 -1.00 0.13 -0.51 -1.52 0.00 0.00 175.55 172.67 1kfq s LEU 168 N -2.82 4.28 0.00 -3.49 1.43 -1.26 -1.46 118.68 115.36 1kfq s LEU 168 Ca 0.06 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1kfq s LEU 168 Cb -0.03 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1kfq s LEU 168 CO -0.04 0.39 0.15 0.41 0.23 0.00 0.00 176.35 177.48 1kfq n THR 169 N 1.87 0.00 -3.88 5.49 -1.04 0.21 -4.46 114.28 112.47 1kfq n THR 169 Ca -0.19 -0.54 -0.09 0.00 -2.04 0.00 0.00 64.05 61.19 1kfq n THR 169 Cb 0.55 0.33 -0.08 0.00 -1.82 0.00 0.00 70.33 69.31 1kfq n THR 169 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1kfq s VAL 170 N -2.55 0.14 -0.66 12.58 1.01 -1.26 0.60 120.40 130.26 1kfq s VAL 170 Ca 0.09 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 1kfq s VAL 170 Cb -0.00 -1.18 0.17 0.00 0.00 0.00 0.00 36.38 35.37 1kfq s VAL 170 CO 0.06 -0.63 0.48 -1.81 0.00 0.00 0.00 175.10 173.21 1kfq s ASP 171 N -2.55 5.33 -0.09 3.32 1.11 -1.26 -5.01 116.67 117.52 1kfq s ASP 171 Ca 0.01 -2.96 -0.06 0.00 0.18 0.00 0.00 52.55 49.72 1kfq s ASP 171 Cb 0.03 -1.87 0.03 0.00 1.07 0.00 0.00 42.92 42.18 1kfq s ASP 171 CO -0.08 -0.35 0.22 -0.47 1.18 0.00 0.00 175.17 175.66 1kfq s TYR 172 N -0.21 -0.26 -1.28 4.23 5.04 -1.26 -4.62 117.35 118.99 1kfq s TYR 172 Ca 0.18 0.63 -0.16 0.00 -2.44 0.00 0.00 57.07 55.28 1kfq s TYR 172 Cb -0.19 0.05 0.11 0.00 0.35 0.00 0.00 41.96 42.29 1kfq s TYR 172 CO -0.04 -0.15 1.66 0.39 -1.34 0.00 0.00 175.55 176.07 1kfq n GLU 173 N 3.48 3.26 -0.20 4.97 1.02 -1.26 -4.77 120.64 127.14 1kfq n GLU 173 Ca -0.18 -3.47 -0.08 0.00 -0.02 0.00 0.00 57.16 53.42 1kfq n GLU 173 Cb 0.56 -3.28 0.02 0.00 -0.02 0.00 0.00 31.44 28.73 1kfq n GLU 173 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1kfq h PHE 174 N 7.20 0.86 0.00 -0.32 0.04 -1.97 -2.70 116.94 120.05 1kfq h PHE 174 Ca 0.40 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.12 1kfq h PHE 174 Cb 0.84 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1kfq h PHE 174 CO 1.30 0.69 0.05 -0.85 -0.60 0.00 0.00 178.31 178.89 1kfq n GLU 175 N -4.50 0.11 0.01 1.51 0.00 -1.26 -0.60 120.64 115.91 1kfq n GLU 175 Ca 0.03 0.60 0.11 0.00 0.00 0.00 0.00 57.16 57.90 1kfq n GLU 175 Cb 0.15 -1.90 -0.07 0.00 0.00 0.00 0.00 31.44 29.62 1kfq n GLU 175 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1kfq n LYS 176 N -2.09 0.35 0.00 3.44 4.76 -1.02 -4.22 118.16 119.38 1kfq n LYS 176 Ca -0.01 -0.06 0.05 0.00 -2.87 0.00 0.00 58.31 55.42 1kfq n LYS 176 Cb 0.07 -1.56 0.02 0.00 -1.84 0.00 0.00 35.03 31.72 1kfq n LYS 176 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1kfq n HIS 177 N -1.98 0.00 -4.46 2.13 8.25 0.24 -4.96 115.22 114.43 1kfq n HIS 177 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1kfq n HIS 177 Cb 0.46 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.41 1kfq n HIS 177 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1kfq s ILE 178 N -1.13 0.92 -0.41 1.59 1.01 -0.21 -5.01 121.20 117.98 1kfq s ILE 178 Ca 0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1kfq s ILE 178 Cb 0.08 -0.85 0.10 0.00 0.01 0.00 0.00 42.46 41.81 1kfq s ILE 178 CO 0.19 0.30 0.21 0.21 0.00 0.00 0.00 174.94 175.85 1kfq s ASN 179 N 0.54 5.31 0.48 3.58 3.04 -1.26 -4.69 114.94 121.94 1kfq s ASN 179 Ca -0.10 -1.89 0.18 0.00 0.04 0.00 0.00 52.86 51.09 1kfq s ASN 179 Cb -0.13 -1.86 1.20 0.00 -1.54 0.00 0.00 41.25 38.92 1kfq s ASN 179 CO 0.02 -0.53 2.02 -0.07 -3.04 0.00 0.00 177.10 175.49 1kfq h LEU 180 N 8.13 0.18 -0.20 3.21 3.38 -1.96 -1.54 115.31 126.51 1kfq h LEU 180 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1kfq h LEU 180 Cb 1.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1kfq h LEU 180 CO 0.71 0.11 0.00 0.47 0.09 0.00 0.00 178.44 179.82 1kfq n ASP 181 N -4.45 0.30 -3.97 -0.43 8.00 -1.26 -1.57 116.55 113.16 1kfq n ASP 181 Ca 0.07 -1.42 -0.31 0.00 0.71 0.00 0.00 54.79 53.85 1kfq n ASP 181 Cb 0.40 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.33 1kfq n ASP 181 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1kfq s GLN 182 N -1.97 1.79 0.29 -1.24 0.74 -0.58 -4.83 119.66 113.85 1kfq s GLN 182 Ca 0.31 -1.06 -0.30 0.00 0.05 0.00 0.00 55.36 54.36 1kfq s GLN 182 Cb 0.15 -2.64 -0.13 0.00 1.10 0.00 0.00 33.01 31.49 1kfq s GLN 182 CO 0.24 -0.58 1.38 -0.89 -0.55 0.00 0.00 175.29 174.89 1kfq n ILE 183 N 4.62 1.39 0.00 -2.34 5.41 -1.26 -4.81 119.36 122.36 1kfq n ILE 183 Ca -0.13 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1kfq n ILE 183 Cb 0.44 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 1kfq n ILE 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kfq n GLY 184 N 1.59 1.05 3.55 7.39 0.00 -0.79 -5.00 105.19 112.99 1kfq n GLY 184 Ca 0.08 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 1kfq n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfq s VAL 185 N -1.94 4.32 -0.33 1.61 1.01 -1.26 -1.28 120.40 122.53 1kfq s VAL 185 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1kfq s VAL 185 Cb 0.00 -2.93 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1kfq s VAL 185 CO 0.00 0.47 0.07 -0.31 0.00 0.00 0.00 175.10 175.32 1kfq s TYR 186 N 0.46 3.26 -0.06 5.22 1.51 0.22 -4.99 117.35 122.98 1kfq s TYR 186 Ca -0.00 -1.61 -0.11 0.00 -1.01 0.00 0.00 57.07 54.34 1kfq s TYR 186 Cb -0.13 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.44 1kfq s TYR 186 CO 0.02 -0.76 0.28 0.15 -1.11 0.00 0.00 175.55 174.12 1kfq s LYS 187 N 1.34 3.69 0.24 -0.62 1.02 -1.26 -1.38 119.74 122.77 1kfq s LYS 187 Ca -0.03 0.15 0.04 0.00 0.02 0.00 0.00 55.97 56.15 1kfq s LYS 187 Cb -0.20 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1kfq s LYS 187 CO 0.01 0.73 -0.02 -0.06 -0.92 0.00 0.00 175.35 175.10 1kfq s PHE 188 N -1.06 1.65 -0.26 3.18 0.40 -0.05 -4.79 117.98 117.05 1kfq s PHE 188 Ca 0.20 -0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1kfq s PHE 188 Cb -0.14 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.44 1kfq s PHE 188 CO 0.09 0.03 0.01 -2.00 0.70 0.00 0.00 175.22 174.05 1kfq s GLU 189 N -3.83 3.07 0.44 0.44 2.56 -1.26 -3.15 118.70 116.96 1kfq s GLU 189 Ca 0.29 -0.85 0.07 0.00 0.00 0.00 0.00 54.97 54.48 1kfq s GLU 189 Cb 0.05 -3.17 -0.02 0.00 2.00 0.00 0.00 34.13 33.00 1kfq s GLU 189 CO 0.09 -0.38 0.35 0.20 -0.56 0.00 0.00 175.26 174.97 1kfq s GLY 190 N 1.44 2.21 -0.81 -1.50 0.00 0.40 -0.54 107.32 108.52 1kfq s GLY 190 Ca 0.02 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 42.92 1kfq s GLY 190 CO -0.01 -1.78 0.85 2.41 0.00 0.00 0.00 173.10 174.56 1kfq n THR 191 N -1.53 2.98 -4.29 0.90 -1.04 -0.73 -4.65 114.28 105.92 1kfq n THR 191 Ca 0.02 -5.26 -0.16 0.00 -2.04 0.00 0.00 64.05 56.62 1kfq n THR 191 Cb 0.63 -2.20 -0.10 0.00 -1.82 0.00 0.00 70.33 66.83 1kfq n THR 191 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1kfq s ARG 192 N -2.02 1.23 0.15 -2.82 0.52 -1.24 -3.90 118.95 110.87 1kfq s ARG 192 Ca 0.32 -1.60 -0.30 0.00 -0.52 0.00 0.00 55.73 53.63 1kfq s ARG 192 Cb 0.03 -0.51 -0.07 0.00 0.52 0.00 0.00 34.95 34.92 1kfq s ARG 192 CO -0.05 -0.08 1.06 -0.51 0.02 0.00 0.00 175.30 175.74 1kfq s LEU 193 N -3.25 4.49 0.00 2.53 1.43 -1.26 -4.09 118.68 118.53 1kfq s LEU 193 Ca 0.26 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 1kfq s LEU 193 Cb 0.05 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1kfq s LEU 193 CO 0.06 -0.19 0.00 -0.62 0.23 0.00 0.00 176.35 175.84 1kfq n GLU 194 N 2.58 0.00 -3.28 1.70 -0.58 -1.26 -4.80 120.64 115.00 1kfq n GLU 194 Ca 0.03 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.31 1kfq n GLU 194 Cb 0.47 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.29 1kfq n GLU 194 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1kfq s LYS 195 N 0.00 3.00 0.00 3.49 1.02 -1.26 -4.85 119.74 121.14 1kfq s LYS 195 Ca 0.00 -1.59 0.25 0.00 0.02 0.00 0.00 55.97 54.65 1kfq s LYS 195 Cb 0.00 -4.28 0.53 0.00 -0.52 0.00 0.00 37.83 33.56 1kfq s LYS 195 CO 0.00 -1.34 1.42 -1.13 -0.92 0.00 0.00 175.35 173.38 1kfq n SER 196 N 5.47 0.75 -4.57 2.83 3.41 -1.26 -3.67 113.62 116.58 1kfq n SER 196 Ca -0.13 -0.55 -0.25 0.00 -0.26 0.00 0.00 58.87 57.68 1kfq n SER 196 Cb 0.41 0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.54 1kfq n SER 196 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1kfq s HIS 197 N -2.82 2.58 -0.28 7.33 3.76 -1.26 -0.45 115.29 124.15 1kfq s HIS 197 Ca 0.15 -0.25 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 1kfq s HIS 197 Cb 0.18 -1.19 0.09 0.00 1.11 0.00 0.00 32.58 32.77 1kfq s HIS 197 CO 0.65 0.59 0.74 0.12 -0.85 0.00 0.00 174.74 175.99 1kfq s PHE 198 N -2.07 -0.97 0.17 1.40 5.36 -1.19 -4.82 117.98 115.87 1kfq s PHE 198 Ca 0.28 1.95 0.08 0.00 -0.96 0.00 0.00 56.93 58.28 1kfq s PHE 198 Cb -0.07 0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 43.14 1kfq s PHE 198 CO 0.17 -0.48 -0.18 -1.21 -1.46 0.00 0.00 175.22 172.06 1kfq s GLU 199 N 1.53 1.29 -0.12 10.12 2.02 -0.82 -0.88 118.70 131.84 1kfq s GLU 199 Ca -0.09 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.44 1kfq s GLU 199 Cb -0.05 -1.31 0.03 0.00 0.10 0.00 0.00 34.13 32.91 1kfq s GLU 199 CO -0.18 0.26 -0.04 0.08 0.02 0.00 0.00 175.26 175.40 1kfq s VAL 200 N -2.19 0.81 -0.26 2.63 1.01 -0.48 -2.07 120.40 119.85 1kfq s VAL 200 Ca 0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1kfq s VAL 200 Cb -0.05 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1kfq s VAL 200 CO 0.07 0.22 -0.02 -0.75 0.00 0.00 0.00 175.10 174.62 1kfq s LYS 201 N 1.78 2.98 -0.31 2.72 2.20 0.18 -0.61 119.74 128.68 1kfq s LYS 201 Ca 0.03 -0.89 -0.21 0.00 -0.36 0.00 0.00 55.97 54.54 1kfq s LYS 201 Cb -0.14 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 1kfq s LYS 201 CO -0.07 -0.38 0.65 0.14 -0.36 0.00 0.00 175.35 175.33 1kfq s VAL 202 N 1.39 4.91 0.20 4.02 -7.23 -0.41 -1.43 120.40 121.85 1kfq s VAL 202 Ca 0.02 0.85 0.05 0.00 -1.81 0.00 0.00 61.98 61.08 1kfq s VAL 202 Cb -0.16 -4.03 -0.03 0.00 0.56 0.00 0.00 36.38 32.71 1kfq s VAL 202 CO -0.03 -0.19 0.26 0.54 -0.31 0.00 0.00 175.10 175.37 1kfq s VAL 203 N 2.67 4.95 0.18 1.32 0.11 0.34 -1.88 120.40 128.09 1kfq s VAL 203 Ca 0.26 -1.01 -0.32 0.00 -2.93 0.00 0.00 61.98 57.98 1kfq s VAL 203 Cb -0.15 -3.61 -0.11 0.00 -1.53 0.00 0.00 36.38 30.98 1kfq s VAL 203 CO 0.12 -0.22 1.71 -0.62 -3.33 0.00 0.00 175.10 172.77 1kfq s ASP 204 N -3.56 6.43 0.45 3.54 -1.08 -1.26 -1.72 116.67 119.47 1kfq s ASP 204 Ca 0.33 2.79 0.30 0.00 -0.52 0.00 0.00 52.55 55.45 1kfq s ASP 204 Cb -0.10 -2.59 1.15 0.00 -1.46 0.00 0.00 42.92 39.92 1kfq s ASP 204 CO 0.27 -0.95 1.87 0.00 0.52 0.00 0.00 175.17 176.88 1kfq h THR 205 N 4.04 0.00 0.00 1.71 1.03 -1.89 -3.35 112.91 114.45 1kfq h THR 205 Ca -0.43 -0.49 0.00 0.00 -0.01 0.00 0.00 66.41 65.48 1kfq h THR 205 Cb 1.20 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 1kfq h THR 205 CO 0.95 0.00 -0.62 1.33 -0.01 0.00 0.00 175.52 177.17 1kfq n VAL 206 N -2.84 0.00 0.23 0.00 0.24 -1.26 -4.79 118.33 109.91 1kfq n VAL 206 Ca 0.02 -0.08 -0.17 0.00 -2.04 0.00 0.00 64.34 62.07 1kfq n VAL 206 Cb 0.31 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.11 1kfq n VAL 206 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1kfq h GLN 207 N 0.00 -0.83 -0.36 7.34 4.15 -1.98 -2.26 115.11 121.17 1kfq h GLN 207 Ca 0.00 0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.50 1kfq h GLN 207 Cb 0.00 0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1kfq h GLN 207 CO 0.00 -0.55 0.19 -0.44 -1.93 0.00 0.00 178.83 176.10 1kfq h ASP 208 N -0.86 0.29 -0.99 -0.69 3.32 -1.90 -2.70 116.42 112.89 1kfq h ASP 208 Ca -0.03 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.11 1kfq h ASP 208 Cb 0.78 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.22 1kfq h ASP 208 CO -0.12 0.21 0.64 0.22 -1.72 0.00 0.00 179.24 178.47 1kfq h TYR 209 N 0.39 1.17 -0.22 4.55 3.20 -1.87 -2.75 116.97 121.43 1kfq h TYR 209 Ca 0.15 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1kfq h TYR 209 Cb 0.05 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 1kfq h TYR 209 CO -0.09 0.58 -0.00 1.15 -1.64 0.00 0.00 178.16 178.15 1kfq h THR 210 N 1.12 1.26 -0.82 1.81 2.02 -1.13 -2.22 112.91 114.94 1kfq h THR 210 Ca 0.44 -0.90 0.12 0.00 0.77 0.00 0.00 66.41 66.84 1kfq h THR 210 Cb 0.24 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 1kfq h THR 210 CO -0.19 0.28 0.44 1.56 0.37 0.00 0.00 175.52 177.98 1kfq h GLN 211 N 0.16 0.66 -0.31 6.66 4.20 -1.22 0.27 115.11 125.54 1kfq h GLN 211 Ca 0.06 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1kfq h GLN 211 Cb 0.41 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1kfq h GLN 211 CO 0.01 0.44 0.18 1.25 -0.67 0.00 0.00 178.83 180.04 1kfq h LEU 212 N 0.68 0.38 -1.39 1.46 5.85 -1.33 -1.55 115.31 119.41 1kfq h LEU 212 Ca 0.42 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1kfq h LEU 212 Cb 0.50 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1kfq h LEU 212 CO -0.31 0.34 0.30 0.24 -0.34 0.00 0.00 178.44 178.67 1kfq h MET 213 N 0.40 0.71 0.00 1.25 2.86 -0.50 -0.04 114.93 119.61 1kfq h MET 213 Ca 0.11 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1kfq h MET 213 Cb 0.03 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 1kfq h MET 213 CO -0.02 0.52 -0.02 1.96 1.06 0.00 0.00 176.91 180.41 1kfq h GLN 214 N 0.73 0.00 0.08 1.72 4.20 0.18 0.48 115.11 122.49 1kfq h GLN 214 Ca 0.19 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.58 1kfq h GLN 214 Cb -0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1kfq h GLN 214 CO -0.03 0.02 -1.77 -0.22 -0.67 0.00 0.00 178.83 176.16 1kfq h LYS 215 N 0.00 0.17 0.04 1.46 3.64 -0.27 -3.37 116.57 118.24 1kfq h LYS 215 Ca -0.00 -0.29 -0.24 0.00 -1.27 0.00 0.00 60.65 58.85 1kfq h LYS 215 Cb 0.51 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1kfq h LYS 215 CO 0.00 0.94 -1.03 -0.07 -2.27 0.00 0.00 179.45 177.02 1kfq h LEU 216 N 0.05 0.48 -8.99 5.20 3.38 -0.74 -3.46 115.31 111.23 1kfq h LEU 216 Ca -0.33 -0.42 -0.68 0.00 0.09 0.00 0.00 57.88 56.54 1kfq h LEU 216 Cb 2.02 -0.15 -0.21 0.00 0.09 0.00 0.00 40.66 42.42 1kfq h LEU 216 CO 0.11 1.25 -0.84 -0.36 0.09 0.00 0.00 178.44 178.69 1kfq s PHE 217 N -3.07 2.40 -0.74 1.13 0.08 0.16 -4.94 117.98 113.01 1kfq s PHE 217 Ca -0.05 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.41 1kfq s PHE 217 Cb 0.08 -1.28 0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1kfq s PHE 217 CO 0.87 0.36 1.21 0.34 -0.10 0.00 0.00 175.22 177.90 1kfq s ASP 218 N -2.12 6.19 0.46 1.36 3.68 -1.26 -4.55 116.67 120.43 1kfq s ASP 218 Ca 0.16 -0.67 0.23 0.00 2.13 0.00 0.00 52.55 54.40 1kfq s ASP 218 Cb -0.10 -2.52 1.10 0.00 -1.45 0.00 0.00 42.92 39.95 1kfq s ASP 218 CO 0.08 -1.71 1.92 -0.26 0.13 0.00 0.00 175.17 175.33 1kfq h PHE 219 N 9.88 0.00 -0.12 -5.34 -1.00 -1.91 -2.59 116.94 115.86 1kfq h PHE 219 Ca -0.25 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.44 1kfq h PHE 219 Cb 1.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 1kfq h PHE 219 CO 1.10 0.22 -0.35 -0.44 -1.61 0.00 0.00 178.31 177.23 1kfq h ASP 220 N 0.00 0.25 0.03 2.17 5.19 -1.99 0.36 116.42 122.43 1kfq h ASP 220 Ca -0.00 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1kfq h ASP 220 Cb 0.57 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1kfq h ASP 220 CO 0.03 0.59 -0.02 0.25 -3.12 0.00 0.00 179.24 176.97 1kfq h LEU 221 N 0.21 -0.04 -0.58 1.55 5.85 -1.88 -2.63 115.31 117.79 1kfq h LEU 221 Ca 0.03 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.40 1kfq h LEU 221 Cb 0.72 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1kfq h LEU 221 CO 0.05 0.36 0.34 -0.07 -0.34 0.00 0.00 178.44 178.79 1kfq h LEU 222 N -0.44 0.55 -1.97 2.25 3.38 -1.26 0.53 115.31 118.35 1kfq h LEU 222 Ca -0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1kfq h LEU 222 Cb 0.41 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1kfq h LEU 222 CO 0.01 0.38 0.12 0.11 0.09 0.00 0.00 178.44 179.15 1kfq h LYS 223 N 0.68 0.04 -0.44 1.13 6.56 -0.94 0.14 116.57 123.75 1kfq h LYS 223 Ca 0.24 -0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.73 1kfq h LYS 223 Cb 0.04 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 1kfq h LYS 223 CO -0.11 0.03 -0.12 0.78 -2.06 0.00 0.00 179.45 177.96 1kfq h GLY 224 N 0.04 0.86 1.10 3.86 0.00 -0.53 -1.87 103.07 106.54 1kfq h GLY 224 Ca 0.08 -0.66 -0.23 0.00 0.00 0.00 0.00 47.33 46.52 1kfq h GLY 224 CO -0.00 0.61 -0.85 -2.00 0.00 0.00 0.00 176.54 174.30 1kfq h LEU 225 N 0.72 0.84 -1.66 3.11 5.85 -0.12 -2.91 115.31 121.14 1kfq h LEU 225 Ca 0.12 -0.70 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 1kfq h LEU 225 Cb 0.61 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1kfq h LEU 225 CO 0.04 1.42 -0.17 -0.26 -0.34 0.00 0.00 178.44 179.13 1kfq h PHE 226 N 0.34 0.00 0.00 1.25 -1.00 -0.76 -1.99 116.94 114.77 1kfq h PHE 226 Ca -0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1kfq h PHE 226 Cb 1.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.06 1kfq h PHE 226 CO 0.11 0.17 -0.43 0.43 -1.61 0.00 0.00 178.31 176.97 1kfq n SER 227 N -3.63 0.57 -4.68 2.17 7.64 -0.71 -4.84 113.62 110.14 1kfq n SER 227 Ca -0.01 0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1kfq n SER 227 Cb 0.30 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 1kfq n SER 227 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1kfq s ASN 228 N -3.77 6.49 0.57 6.43 3.84 -0.75 -4.88 114.94 122.87 1kfq s ASN 228 Ca 0.09 2.63 0.25 0.00 0.21 0.00 0.00 52.86 56.04 1kfq s ASN 228 Cb 0.15 -2.55 1.60 0.00 -0.55 0.00 0.00 41.25 39.90 1kfq s ASN 228 CO 0.68 -1.00 2.17 0.07 -2.79 0.00 0.00 177.10 176.23 1kfq h LYS 229 N 9.40 0.00 -0.01 0.43 -0.00 -1.88 -1.43 116.57 123.08 1kfq h LYS 229 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1kfq h LYS 229 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 1kfq h LYS 229 CO 0.94 0.00 -0.15 -0.25 -0.00 0.00 0.00 179.45 180.00 1kfq n ASP 230 N -4.07 1.10 -4.58 7.07 10.43 -1.26 -4.84 116.55 120.39 1kfq n ASP 230 Ca -0.01 -1.06 -0.41 0.00 2.57 0.00 0.00 54.79 55.87 1kfq n ASP 230 Cb 0.18 0.06 -0.07 0.00 1.84 0.00 0.00 41.12 43.14 1kfq n ASP 230 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1kfq s PHE 231 N -2.31 3.18 0.08 1.24 5.36 -0.54 -4.87 117.98 120.11 1kfq s PHE 231 Ca 0.30 0.44 0.07 0.00 -0.96 0.00 0.00 56.93 56.78 1kfq s PHE 231 Cb 0.20 -3.07 -0.04 0.00 -0.34 0.00 0.00 43.02 39.77 1kfq s PHE 231 CO 0.45 -0.56 -0.12 -1.54 -1.46 0.00 0.00 175.22 171.99 1kfq s SER 232 N 1.73 4.27 -0.09 6.13 1.04 -1.26 -4.90 113.70 120.62 1kfq s SER 232 Ca 0.25 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1kfq s SER 232 Cb -0.15 -0.80 0.03 0.00 0.10 0.00 0.00 66.02 65.20 1kfq s SER 232 CO 0.14 0.21 0.22 0.12 0.98 0.00 0.00 173.24 174.91 1kfq s PHE 233 N -1.12 -0.27 -0.07 5.02 2.19 -1.26 -2.45 117.98 120.02 1kfq s PHE 233 Ca 0.19 0.66 0.02 0.00 0.33 0.00 0.00 56.93 58.13 1kfq s PHE 233 Cb -0.11 0.06 0.01 0.00 -1.31 0.00 0.00 43.02 41.67 1kfq s PHE 233 CO 0.11 -0.17 -0.13 1.03 1.83 0.00 0.00 175.22 177.89 1kfq s ARG 234 N 0.67 1.76 -0.07 10.12 3.00 -0.26 -4.37 118.95 129.79 1kfq s ARG 234 Ca -0.05 -0.43 0.02 0.00 0.00 0.00 0.00 55.73 55.27 1kfq s ARG 234 Cb -0.06 -1.45 0.02 0.00 0.00 0.00 0.00 34.95 33.45 1kfq s ARG 234 CO -0.04 0.02 -0.11 0.12 0.00 0.00 0.00 175.30 175.29 1kfq s PHE 235 N 0.69 1.42 -0.30 -0.53 5.36 -0.54 -1.68 117.98 122.41 1kfq s PHE 235 Ca -0.14 -0.56 -0.07 0.00 -0.96 0.00 0.00 56.93 55.20 1kfq s PHE 235 Cb -0.16 -1.07 0.01 0.00 -0.34 0.00 0.00 43.02 41.46 1kfq s PHE 235 CO 0.03 -0.32 0.09 0.34 -1.46 0.00 0.00 175.22 173.91 1kfq s ASP 236 N 0.87 5.20 0.00 6.13 -1.08 0.10 -0.33 116.67 127.56 1kfq s ASP 236 Ca -0.11 -0.76 0.28 0.00 -0.52 0.00 0.00 52.55 51.44 1kfq s ASP 236 Cb -0.15 -1.89 1.20 0.00 -1.46 0.00 0.00 42.92 40.62 1kfq s ASP 236 CO 0.01 -0.22 1.82 0.61 0.52 0.00 0.00 175.17 177.92 1kfq n GLY 237 N 4.87 -0.21 2.69 2.66 0.00 -0.05 -2.87 105.19 112.28 1kfq n GLY 237 Ca -0.14 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1kfq n GLY 237 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kfq n MET 238 N -0.09 -2.67 -1.40 1.61 0.00 -1.22 -0.35 117.12 113.00 1kfq n MET 238 Ca 0.20 0.21 -0.14 0.00 0.00 0.00 0.00 57.70 57.97 1kfq n MET 238 Cb 0.29 -4.76 -0.06 0.00 0.00 0.00 0.00 33.22 28.69 1kfq n MET 238 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1kfq n HIS 239 N -2.96 0.00 -2.20 2.03 8.25 -0.60 -4.70 115.22 115.05 1kfq n HIS 239 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1kfq n HIS 239 Cb 0.53 -2.63 0.00 0.00 1.12 0.00 0.00 29.99 29.01 1kfq n HIS 239 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfq n GLY 240 N -0.82 1.92 0.23 -1.41 0.00 0.53 -1.14 105.19 104.51 1kfq n GLY 240 Ca -0.14 -2.06 0.16 0.00 0.00 0.00 0.00 46.02 43.98 1kfq n GLY 240 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1kfq h VAL 241 N 0.00 0.00 0.00 1.61 3.04 -0.80 -3.05 116.25 117.06 1kfq h VAL 241 Ca 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1kfq h VAL 241 Cb 0.00 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1kfq h VAL 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1kfq h ALA 242 N 2.09 1.00 -0.03 3.17 0.00 -1.81 -3.32 119.26 120.36 1kfq h ALA 242 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1kfq h ALA 242 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1kfq h ALA 242 CO 0.00 0.00 -0.19 0.78 0.00 0.00 0.00 179.25 179.84 1kfq h GLY 243 N 0.61 -1.37 0.08 0.00 0.00 -1.76 -2.02 103.07 98.60 1kfq h GLY 243 Ca 0.00 0.66 0.18 0.00 0.00 0.00 0.00 47.33 48.17 1kfq h GLY 243 CO 0.00 -0.45 0.46 -2.55 0.00 0.00 0.00 176.54 174.01 1kfq h PRO 244 N -0.21 0.57 -0.81 4.80 0.11 -1.72 -1.12 132.00 133.62 1kfq h PRO 244 Ca 0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1kfq h PRO 244 Cb 0.24 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 1kfq h PRO 244 CO -0.14 0.38 0.40 1.88 -0.21 0.00 0.00 178.00 180.30 1kfq h TYR 245 N 0.59 1.15 -0.18 0.65 -1.99 -1.71 -1.14 116.97 114.35 1kfq h TYR 245 Ca 0.52 -0.05 -0.16 0.00 2.00 0.00 0.00 58.73 61.04 1kfq h TYR 245 Cb 0.83 -0.36 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1kfq h TYR 245 CO -0.08 0.83 -0.51 0.00 -0.00 0.00 0.00 178.16 178.39 1kfq h ALA 246 N 1.28 0.31 0.01 3.88 0.00 -0.58 -1.23 119.26 122.94 1kfq h ALA 246 Ca 0.28 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1kfq h ALA 246 Cb 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1kfq h ALA 246 CO -0.04 0.50 -0.13 0.87 0.00 0.00 0.00 179.25 180.45 1kfq h LYS 247 N 0.36 -0.21 -0.24 0.00 1.57 -1.03 -0.90 116.57 116.12 1kfq h LYS 247 Ca -0.01 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1kfq h LYS 247 Cb 1.13 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1kfq h LYS 247 CO 0.11 -0.14 -0.01 1.25 -0.57 0.00 0.00 179.45 180.09 1kfq h HIS 248 N -0.22 0.46 0.14 -1.35 2.76 -1.24 -0.61 115.15 115.10 1kfq h HIS 248 Ca 0.04 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1kfq h HIS 248 Cb 0.27 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1kfq h HIS 248 CO -0.18 0.60 -0.07 0.82 -1.30 0.00 0.00 177.93 177.80 1kfq h ILE 249 N 0.19 0.00 -0.15 6.26 2.04 -1.19 -1.77 117.51 122.88 1kfq h ILE 249 Ca 0.07 -0.81 -0.13 0.00 1.00 0.00 0.00 64.86 64.98 1kfq h ILE 249 Cb 0.42 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1kfq h ILE 249 CO 0.01 0.00 -0.48 -0.26 0.00 0.00 0.00 178.15 177.42 1kfq h PHE 250 N -1.00 0.49 0.00 1.37 0.04 -1.35 -1.07 116.94 115.41 1kfq h PHE 250 Ca -0.02 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1kfq h PHE 250 Cb 0.15 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1kfq h PHE 250 CO 0.00 0.81 0.00 0.41 -0.60 0.00 0.00 178.31 178.93 1kfq n GLY 251 N 0.06 0.05 0.26 -1.45 0.00 -0.71 -1.32 105.19 102.09 1kfq n GLY 251 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1kfq n GLY 251 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kfq h THR 252 N 0.00 0.73 0.00 2.61 2.02 -1.03 -0.69 112.91 116.55 1kfq h THR 252 Ca 0.00 -0.16 -0.22 0.00 0.77 0.00 0.00 66.41 66.80 1kfq h THR 252 Cb 0.00 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1kfq h THR 252 CO 0.00 0.08 -1.25 0.18 0.37 0.00 0.00 175.52 174.90 1kfq n LEU 253 N -4.98 1.86 -0.26 2.58 4.77 -0.68 -4.40 117.00 115.89 1kfq n LEU 253 Ca 0.12 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.68 1kfq n LEU 253 Cb 0.34 -0.95 0.68 0.00 -2.33 0.00 0.00 43.42 41.16 1kfq n LEU 253 CO 0.21 0.22 0.95 0.18 -1.33 0.00 0.00 177.39 177.61 1kfq n LEU 254 N -4.44 0.84 -3.26 2.23 4.77 -0.41 -4.98 117.00 111.75 1kfq n LEU 254 Ca -0.31 -0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 55.26 1kfq n LEU 254 Cb 0.65 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.79 1kfq n LEU 254 CO 0.17 0.14 0.05 0.61 -1.33 0.00 0.00 177.39 177.04 1kfq n GLY 255 N 1.13 -0.86 3.93 -0.72 0.00 -0.27 -4.80 105.19 103.60 1kfq n GLY 255 Ca 0.20 0.41 -0.27 0.00 0.00 0.00 0.00 46.02 46.36 1kfq n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfq s SER 257 N -3.26 5.04 0.55 0.00 1.04 -1.26 -4.75 113.70 111.05 1kfq s SER 257 Ca 0.39 2.71 0.31 0.00 0.48 0.00 0.00 55.95 59.85 1kfq s SER 257 Cb -0.11 -2.63 1.58 0.00 0.10 0.00 0.00 66.02 64.96 1kfq s SER 257 CO 0.30 -1.72 2.09 0.11 0.98 0.00 0.00 173.24 175.00 1kfq h LYS 258 N 1.14 0.00 0.00 4.02 6.56 -1.97 -0.36 116.57 125.97 1kfq h LYS 258 Ca -0.51 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1kfq h LYS 258 Cb 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 1kfq h LYS 258 CO 0.56 0.08 0.00 -0.85 -2.06 0.00 0.00 179.45 177.18 1kfq n GLU 259 N -3.43 0.19 0.21 3.15 0.28 -1.26 -3.25 120.64 116.53 1kfq n GLU 259 Ca -0.01 0.22 0.09 0.00 -0.16 0.00 0.00 57.16 57.29 1kfq n GLU 259 Cb 0.23 -1.75 0.39 0.00 1.43 0.00 0.00 31.44 31.74 1kfq n GLU 259 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1kfq h SER 260 N 0.00 0.00 -3.89 -1.84 0.02 -1.25 -3.43 113.55 103.16 1kfq h SER 260 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 1kfq h SER 260 Cb 0.60 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.97 1kfq h SER 260 CO 0.00 0.24 -0.52 -0.76 -1.14 0.00 0.00 176.83 174.66 1kfq s LEU 261 N -6.69 4.02 -0.10 5.07 1.43 -1.20 -1.46 118.68 119.75 1kfq s LEU 261 Ca 0.01 -0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1kfq s LEU 261 Cb 0.10 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1kfq s LEU 261 CO 0.65 -0.05 -0.09 -0.76 0.23 0.00 0.00 176.35 176.34 1kfq s LEU 262 N 1.73 3.01 -1.51 1.79 1.43 0.56 -4.68 118.68 121.01 1kfq s LEU 262 Ca 0.07 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1kfq s LEU 262 Cb -0.16 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.45 1kfq s LEU 262 CO 0.11 0.26 0.65 0.59 0.23 0.00 0.00 176.35 178.19 1kfq n ASN 263 N 2.87 -2.01 -2.20 2.29 5.03 -1.26 -0.87 115.26 119.11 1kfq n ASN 263 Ca -0.18 -0.95 -0.25 0.00 0.87 0.00 0.00 54.58 54.07 1kfq n ASN 263 Cb 0.53 -3.20 0.17 0.00 -1.02 0.00 0.00 39.78 36.25 1kfq n ASN 263 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kfq s ASP 265 N -1.44 4.69 0.53 0.00 -0.00 -1.26 -4.13 116.67 115.05 1kfq s ASP 265 Ca 0.58 -1.44 -0.20 0.00 -0.00 0.00 0.00 52.55 51.48 1kfq s ASP 265 Cb 0.48 -1.63 -0.08 0.00 -0.00 0.00 0.00 42.92 41.68 1kfq s ASP 265 CO 0.09 -0.25 0.81 -2.65 -0.00 0.00 0.00 175.17 173.16 1kfq n PRO 266 N 4.50 0.87 -3.95 8.23 -0.02 -1.26 -4.59 135.00 138.79 1kfq n PRO 266 Ca -0.12 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.58 1kfq n PRO 266 Cb 0.42 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 31.84 1kfq n PRO 266 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1kfq s SER 267 N -1.06 0.20 0.23 2.55 0.15 -0.29 -4.97 113.70 110.50 1kfq s SER 267 Ca 0.69 -0.19 0.21 0.00 0.70 0.00 0.00 55.95 57.36 1kfq s SER 267 Cb -0.48 0.02 0.93 0.00 -1.71 0.00 0.00 66.02 64.78 1kfq s SER 267 CO 0.53 -0.09 1.64 -0.62 1.20 0.00 0.00 173.24 175.90 1kfq n GLU 268 N 2.54 0.15 -0.08 5.44 1.02 -1.25 -2.09 120.64 126.36 1kfq n GLU 268 Ca -0.16 0.45 0.03 0.00 -0.02 0.00 0.00 57.16 57.45 1kfq n GLU 268 Cb 0.58 -1.83 0.04 0.00 -0.02 0.00 0.00 31.44 30.21 1kfq n GLU 268 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1kfq n ASP 269 N -2.12 1.50 -3.10 1.62 5.75 -1.26 -1.11 116.55 117.84 1kfq n ASP 269 Ca 0.01 -2.14 -0.21 0.00 -0.01 0.00 0.00 54.79 52.44 1kfq n ASP 269 Cb 0.17 -0.15 0.01 0.00 -1.03 0.00 0.00 41.12 40.12 1kfq n ASP 269 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1kfq n PHE 270 N -0.62 -1.78 -0.68 2.11 3.72 -0.89 -0.24 117.46 119.09 1kfq n PHE 270 Ca 0.05 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 1kfq n PHE 270 Cb 0.46 -3.47 0.00 0.00 -0.94 0.00 0.00 39.48 35.53 1kfq n PHE 270 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kfq n GLY 271 N -1.24 1.04 0.00 1.37 0.00 -1.26 -3.07 105.19 102.03 1kfq n GLY 271 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1kfq n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfq n GLY 272 N -2.00 0.84 0.00 -0.02 0.00 0.67 -5.09 105.19 99.59 1kfq n GLY 272 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kfq n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfq n GLY 273 N -1.94 4.58 3.52 -0.02 0.00 -1.17 -5.07 105.19 105.09 1kfq n GLY 273 Ca 0.00 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 1kfq n GLY 273 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kfq s HIS 274 N -0.89 3.07 -1.06 1.61 0.09 -1.26 -4.63 115.29 112.23 1kfq s HIS 274 Ca 0.00 -0.04 -0.19 0.00 -0.00 0.00 0.00 55.06 54.83 1kfq s HIS 274 Cb 0.00 -3.34 -0.08 0.00 -0.00 0.00 0.00 32.58 29.16 1kfq s HIS 274 CO 0.00 -0.86 2.04 -0.35 -0.00 0.00 0.00 174.74 175.57 1kfq n PRO 275 N 6.26 2.06 -3.66 8.40 -0.04 -1.26 -4.78 135.00 141.98 1kfq n PRO 275 Ca -0.02 -2.18 -0.20 0.00 -0.04 0.00 0.00 63.50 61.07 1kfq n PRO 275 Cb 0.48 -3.09 -0.17 0.00 -0.04 0.00 0.00 33.50 30.68 1kfq n PRO 275 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1kfq s ASP 276 N 4.32 1.24 -0.66 3.54 2.15 -1.26 -1.45 116.67 124.55 1kfq s ASP 276 Ca 0.54 0.03 -0.28 0.00 0.43 0.00 0.00 52.55 53.27 1kfq s ASP 276 Cb 0.14 -0.06 0.03 0.00 -0.30 0.00 0.00 42.92 42.72 1kfq s ASP 276 CO 0.04 -0.26 1.25 -2.16 -0.17 0.00 0.00 175.17 173.86 1kfq s PRO 277 N 2.19 3.34 0.28 4.34 0.04 -1.26 -4.07 135.00 139.86 1kfq s PRO 277 Ca 0.04 0.01 -0.19 0.00 0.04 0.00 0.00 61.00 60.91 1kfq s PRO 277 Cb -0.13 -4.10 0.02 0.00 0.04 0.00 0.00 34.50 30.33 1kfq s PRO 277 CO -0.05 -1.93 0.67 0.54 0.04 0.00 0.00 177.00 176.28 1kfq s ASN 278 N 3.41 -0.18 0.62 6.66 2.20 -1.26 -4.59 114.94 121.80 1kfq s ASN 278 Ca 0.39 -0.74 0.24 0.00 -0.94 0.00 0.00 52.86 51.81 1kfq s ASN 278 Cb -0.08 0.71 1.30 0.00 -2.00 0.00 0.00 41.25 41.18 1kfq s ASN 278 CO 0.20 -1.33 1.71 -0.07 -2.94 0.00 0.00 177.10 174.67 1kfq h LEU 279 N 2.06 0.00 0.00 3.54 3.38 -1.93 -2.70 115.31 119.65 1kfq h LEU 279 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1kfq h LEU 279 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1kfq h LEU 279 CO 0.27 0.00 -0.18 0.74 0.09 0.00 0.00 178.44 179.36 1kfq h THR 280 N 0.00 0.00 -0.10 0.22 2.02 -1.95 -3.39 112.91 109.71 1kfq h THR 280 Ca 0.00 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 1kfq h THR 280 Cb 0.83 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1kfq h THR 280 CO 0.00 0.00 -0.51 1.88 0.37 0.00 0.00 175.52 177.26 1kfq h TYR 281 N -0.37 0.31 -0.84 3.16 0.05 -1.77 -3.03 116.97 114.48 1kfq h TYR 281 Ca 0.00 -0.10 -0.52 0.00 0.05 0.00 0.00 58.73 58.16 1kfq h TYR 281 Cb 0.18 -0.06 -0.25 0.00 1.01 0.00 0.00 36.73 37.61 1kfq h TYR 281 CO -0.08 0.71 0.67 0.00 -1.05 0.00 0.00 178.16 178.41 1kfq n ALA 282 N -2.47 5.66 0.30 3.88 0.00 -1.02 -4.65 120.51 122.20 1kfq n ALA 282 Ca -0.02 -2.75 0.19 0.00 0.00 0.00 0.00 53.44 50.86 1kfq n ALA 282 Cb 0.55 -1.55 1.00 0.00 0.00 0.00 0.00 19.45 19.45 1kfq n ALA 282 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1kfq h HIS 283 N 1.47 0.00 -0.05 0.00 2.07 -1.72 -1.06 115.15 115.86 1kfq h HIS 283 Ca 0.52 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.04 1kfq h HIS 283 Cb 1.49 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.47 1kfq h HIS 283 CO 1.29 0.00 0.00 -0.44 -3.07 0.00 0.00 177.93 175.71 1kfq h ASP 284 N 0.00 0.09 -0.80 3.10 5.19 -1.89 -1.57 116.42 120.53 1kfq h ASP 284 Ca 0.02 -0.30 0.05 0.00 -0.62 0.00 0.00 57.03 56.18 1kfq h ASP 284 Cb 0.23 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.66 1kfq h ASP 284 CO -0.00 0.37 0.50 0.25 -3.12 0.00 0.00 179.24 177.23 1kfq h LEU 285 N -0.19 0.79 -1.95 1.55 5.85 -1.60 -2.16 115.31 117.61 1kfq h LEU 285 Ca 0.01 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1kfq h LEU 285 Cb 0.32 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1kfq h LEU 285 CO 0.00 0.52 -0.06 0.58 -0.34 0.00 0.00 178.44 179.14 1kfq h VAL 286 N 0.93 0.95 0.06 1.05 2.07 -1.01 -2.62 116.25 117.69 1kfq h VAL 286 Ca 0.34 -0.23 -0.29 0.00 0.82 0.00 0.00 66.70 67.34 1kfq h VAL 286 Cb 0.11 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1kfq h VAL 286 CO -0.15 0.06 -1.57 1.05 0.02 0.00 0.00 177.57 176.98 1kfq h GLU 287 N 0.00 0.13 -0.23 1.57 4.11 -0.69 -2.35 114.58 117.11 1kfq h GLU 287 Ca -0.00 -0.22 0.04 0.00 0.07 0.00 0.00 59.36 59.25 1kfq h GLU 287 Cb 0.12 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1kfq h GLU 287 CO 0.01 0.90 -0.03 -0.07 0.07 0.00 0.00 179.01 179.88 1kfq h LEU 288 N 0.04 -0.16 -0.19 3.06 3.38 -1.13 0.71 115.31 121.02 1kfq h LEU 288 Ca -0.25 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1kfq h LEU 288 Cb 1.98 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.85 1kfq h LEU 288 CO 0.12 -0.05 0.00 0.18 0.09 0.00 0.00 178.44 178.78 1kfq n LEU 289 N -5.19 0.29 -3.63 1.67 4.32 -1.01 -4.34 117.00 109.11 1kfq n LEU 289 Ca -0.02 -0.11 -0.25 0.00 -0.02 0.00 0.00 56.01 55.62 1kfq n LEU 289 Cb 0.13 -0.01 0.02 0.00 -1.62 0.00 0.00 43.42 41.94 1kfq n LEU 289 CO 0.24 0.05 -0.05 -0.67 -1.22 0.00 0.00 177.39 175.74 1kfq n ASP 290 N -0.70 -5.56 -0.25 -1.43 2.03 0.24 0.50 116.55 111.38 1kfq n ASP 290 Ca 0.19 -0.85 -0.06 0.00 0.52 0.00 0.00 54.79 54.60 1kfq n ASP 290 Cb 0.14 -3.06 0.08 0.00 -0.72 0.00 0.00 41.12 37.56 1kfq n ASP 290 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1kfq h ILE 291 N -1.01 1.26 -0.36 5.18 1.08 -1.68 -2.62 117.51 119.36 1kfq h ILE 291 Ca -0.53 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 1kfq h ILE 291 Cb 1.31 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 1kfq h ILE 291 CO 0.41 0.35 0.00 1.41 -0.69 0.00 0.00 178.15 179.63 1kfq n HIS 292 N -4.26 0.67 -3.57 1.37 8.25 -1.26 -4.74 115.22 111.68 1kfq n HIS 292 Ca 0.06 -0.29 -0.24 0.00 -0.26 0.00 0.00 57.72 56.98 1kfq n HIS 292 Cb 0.23 -0.09 0.03 0.00 1.12 0.00 0.00 29.99 31.28 1kfq n HIS 292 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1kfq n LYS 293 N 0.55 -1.33 -0.00 -0.41 5.02 -0.99 -4.95 118.16 116.06 1kfq n LYS 293 Ca 0.13 0.70 0.06 0.00 -2.02 0.00 0.00 58.31 57.18 1kfq n LYS 293 Cb 0.44 -4.20 -0.08 0.00 -0.02 0.00 0.00 35.03 31.17 1kfq n LYS 293 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1kfq n LYS 294 N -3.50 2.04 -3.79 1.97 4.76 -1.26 -5.01 118.16 113.37 1kfq n LYS 294 Ca -0.11 -0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.06 1kfq n LYS 294 Cb 0.59 -1.17 -0.04 0.00 -1.84 0.00 0.00 35.03 32.57 1kfq n LYS 294 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1kfq s LYS 295 N -2.43 2.39 -0.01 1.97 1.02 -1.26 -5.08 119.74 116.34 1kfq s LYS 295 Ca 0.02 -1.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.00 1kfq s LYS 295 Cb 0.09 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1kfq s LYS 295 CO 0.54 -0.24 1.21 -0.51 -0.92 0.00 0.00 175.35 175.42 1kfq s ASP 296 N -4.09 7.05 0.13 2.83 1.01 -1.26 -4.94 116.67 117.40 1kfq s ASP 296 Ca 0.44 1.90 -0.16 0.00 0.71 0.00 0.00 52.55 55.44 1kfq s ASP 296 Cb -0.01 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.42 1kfq s ASP 296 CO 0.25 -0.55 1.00 0.52 0.21 0.00 0.00 175.17 176.61 1kfq n VAL 297 N 4.37 -0.39 0.33 -1.27 0.31 -1.26 -0.40 118.33 120.03 1kfq n VAL 297 Ca 0.10 1.55 0.04 0.00 -0.01 0.00 0.00 64.34 66.02 1kfq n VAL 297 Cb 0.46 -1.98 0.18 0.00 -0.91 0.00 0.00 33.84 31.59 1kfq n VAL 297 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kfq n GLY 298 N -1.24 -0.60 0.87 2.92 0.00 -1.26 -2.09 105.19 103.79 1kfq n GLY 298 Ca 0.04 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1kfq n GLY 298 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kfq n THR 299 N -1.35 0.00 -3.66 2.61 -2.24 0.47 -4.93 114.28 105.18 1kfq n THR 299 Ca 0.03 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 1kfq n THR 299 Cb 0.07 1.33 -0.08 0.00 -2.10 0.00 0.00 70.33 69.54 1kfq n THR 299 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1kfq s VAL 300 N -2.02 5.37 0.87 2.28 1.01 -0.89 -5.02 120.40 122.00 1kfq s VAL 300 Ca 0.29 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 1kfq s VAL 300 Cb 0.20 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1kfq s VAL 300 CO 0.32 0.38 0.40 -2.65 0.00 0.00 0.00 175.10 173.55 1kfq n PRO 301 N 3.90 -0.06 0.10 2.72 -0.02 -1.26 -4.89 135.00 135.50 1kfq n PRO 301 Ca -0.15 0.03 -0.21 0.00 -2.02 0.00 0.00 63.50 61.15 1kfq n PRO 301 Cb 0.52 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 32.04 1kfq n PRO 301 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1kfq h GLN 302 N -1.09 0.39 -4.64 -0.52 1.08 -1.88 -3.32 115.11 105.13 1kfq h GLN 302 Ca -0.44 -0.67 -0.47 0.00 -1.45 0.00 0.00 58.65 55.62 1kfq h GLN 302 Cb 1.31 0.25 -0.32 0.00 -0.05 0.00 0.00 27.48 28.67 1kfq h GLN 302 CO 0.37 1.29 -0.80 0.12 -0.95 0.00 0.00 178.83 178.86 1kfq s PHE 303 N -2.61 1.19 0.02 2.96 5.36 -1.02 -2.05 117.98 121.83 1kfq s PHE 303 Ca -0.10 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.54 1kfq s PHE 303 Cb 0.06 -0.86 -0.02 0.00 -0.34 0.00 0.00 43.02 41.86 1kfq s PHE 303 CO 0.89 -0.16 -0.07 0.20 -1.46 0.00 0.00 175.22 174.62 1kfq s GLY 304 N 0.36 0.40 0.02 13.12 0.00 0.10 -1.10 107.32 120.22 1kfq s GLY 304 Ca -0.07 -0.55 -0.28 0.00 0.00 0.00 0.00 44.72 43.82 1kfq s GLY 304 CO 0.02 -0.57 0.65 0.00 0.00 0.00 0.00 173.10 173.19 1kfq s ALA 305 N -0.90 -1.70 0.02 3.20 0.00 -0.67 -0.28 121.76 121.43 1kfq s ALA 305 Ca -0.05 1.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 1kfq s ALA 305 Cb -0.07 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1kfq s ALA 305 CO 0.00 -0.49 0.10 0.00 0.00 0.00 0.00 175.76 175.36 1kfq s ALA 306 N -2.00 -0.16 0.11 0.00 0.00 -1.12 -0.72 121.76 117.87 1kfq s ALA 306 Ca -0.07 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.57 1kfq s ALA 306 Cb -0.00 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1kfq s ALA 306 CO 0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 175.76 175.41 1kfq n ASP 308 N 0.63 -1.22 -0.35 0.00 3.85 -1.22 -4.48 116.55 113.76 1kfq n ASP 308 Ca -0.16 -0.87 0.16 0.00 -0.71 0.00 0.00 54.79 53.21 1kfq n ASP 308 Cb 0.57 -0.45 0.37 0.00 -1.35 0.00 0.00 41.12 40.26 1kfq n ASP 308 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1kfq h GLY 309 N -1.37 1.85 -1.39 6.12 0.00 -1.24 -2.37 103.07 104.67 1kfq h GLY 309 Ca -0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1kfq h GLY 309 CO 0.12 -0.19 -0.02 2.09 0.00 0.00 0.00 176.54 178.55 1kfq n ASP 310 N -4.84 3.35 -3.64 0.19 3.85 -1.25 -0.38 116.55 113.83 1kfq n ASP 310 Ca 0.26 -3.17 -0.23 0.00 -0.71 0.00 0.00 54.79 50.94 1kfq n ASP 310 Cb 0.70 -0.54 0.06 0.00 -1.35 0.00 0.00 41.12 39.99 1kfq n ASP 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfq n ALA 311 N -0.79 -1.63 -0.05 2.12 0.00 -0.89 -2.82 120.51 116.44 1kfq n ALA 311 Ca 0.22 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.74 1kfq n ALA 311 Cb 0.87 -3.78 -0.02 0.00 0.00 0.00 0.00 19.45 16.52 1kfq n ALA 311 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kfq n ASP 312 N -3.02 1.16 -4.82 0.00 10.43 -1.26 -2.09 116.55 116.95 1kfq n ASP 312 Ca -0.12 0.29 -0.31 0.00 2.57 0.00 0.00 54.79 57.22 1kfq n ASP 312 Cb 0.61 -0.67 0.06 0.00 1.84 0.00 0.00 41.12 42.96 1kfq n ASP 312 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1kfq s ARG 313 N -2.04 2.67 -0.11 -1.24 0.52 -1.26 -0.65 118.95 116.84 1kfq s ARG 313 Ca -0.15 0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 55.67 1kfq s ARG 313 Cb 0.02 -1.97 0.05 0.00 0.52 0.00 0.00 34.95 33.57 1kfq s ARG 313 CO 0.22 -1.25 0.51 0.54 0.02 0.00 0.00 175.30 175.34 1kfq s ASN 314 N -3.87 -0.48 -0.07 0.23 4.22 -0.62 -3.40 114.94 110.94 1kfq s ASN 314 Ca 0.59 0.70 0.05 0.00 -2.14 0.00 0.00 52.86 52.05 1kfq s ASN 314 Cb -0.14 0.72 -0.01 0.00 1.28 0.00 0.00 41.25 43.10 1kfq s ASN 314 CO 0.55 -0.38 -0.22 -0.32 -2.04 0.00 0.00 177.10 174.68 1kfq s MET 315 N -0.58 2.72 -0.16 3.55 1.75 -0.75 -4.57 119.30 121.24 1kfq s MET 315 Ca -0.07 -0.85 -0.01 0.00 -1.25 0.00 0.00 55.69 53.50 1kfq s MET 315 Cb -0.03 -2.26 -0.01 0.00 2.84 0.00 0.00 34.83 35.37 1kfq s MET 315 CO 0.04 0.36 -0.11 0.42 -0.65 0.00 0.00 175.02 175.09 1kfq s ILE 316 N -0.09 3.11 0.04 10.11 -1.09 -1.26 -2.78 121.20 129.24 1kfq s ILE 316 Ca -0.05 -0.62 0.06 0.00 -2.23 0.00 0.00 60.65 57.81 1kfq s ILE 316 Cb -0.14 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.37 1kfq s ILE 316 CO 0.04 0.49 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.32 1kfq s LEU 317 N 0.76 2.18 0.00 2.97 1.43 0.62 -2.13 118.68 124.50 1kfq s LEU 317 Ca -0.04 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1kfq s LEU 317 Cb -0.15 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.37 1kfq s LEU 317 CO 0.01 0.07 0.19 0.61 0.23 0.00 0.00 176.35 177.47 1kfq n GLY 318 N 1.84 3.18 3.61 -3.19 0.00 -0.12 -0.72 105.19 109.78 1kfq n GLY 318 Ca -0.18 -2.33 -0.43 0.00 0.00 0.00 0.00 46.02 43.08 1kfq n GLY 318 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kfq s ARG 319 N -3.96 3.34 -1.62 1.61 3.52 -0.87 -1.99 118.95 118.98 1kfq s ARG 319 Ca 0.15 1.75 -0.01 0.00 -0.13 0.00 0.00 55.73 57.49 1kfq s ARG 319 Cb -0.01 -4.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.13 1kfq s ARG 319 CO 0.09 -1.85 0.11 1.04 -0.81 0.00 0.00 175.30 173.88 1kfq n GLN 320 N 8.44 -2.33 -3.89 5.12 6.02 0.18 -4.95 117.38 125.97 1kfq n GLN 320 Ca 0.25 0.92 -0.11 0.00 -0.01 0.00 0.00 57.00 58.04 1kfq n GLN 320 Cb 0.46 -5.61 -0.13 0.00 1.02 0.00 0.00 30.24 25.98 1kfq n GLN 320 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1kfq s PHE 321 N -2.99 0.05 -0.16 1.08 5.36 -0.84 -4.78 117.98 115.70 1kfq s PHE 321 Ca 0.06 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 1kfq s PHE 321 Cb -0.03 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.61 1kfq s PHE 321 CO 0.07 -0.05 -0.16 0.12 -1.46 0.00 0.00 175.22 173.75 1kfq s PHE 322 N -0.34 2.78 -0.37 10.12 5.36 -1.26 -0.94 117.98 133.33 1kfq s PHE 322 Ca -0.04 -1.13 -0.15 0.00 -0.96 0.00 0.00 56.93 54.65 1kfq s PHE 322 Cb -0.02 -1.90 -0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1kfq s PHE 322 CO -0.00 -0.53 0.35 0.08 -1.46 0.00 0.00 175.22 173.66 1kfq s VAL 323 N 0.91 5.18 0.66 3.12 1.01 -0.90 -4.98 120.40 125.39 1kfq s VAL 323 Ca -0.04 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1kfq s VAL 323 Cb -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1kfq s VAL 323 CO -0.02 -0.18 1.17 0.42 0.00 0.00 0.00 175.10 176.49 1kfq s THR 324 N 1.96 2.74 0.51 3.92 -4.23 -1.26 -4.29 115.64 114.99 1kfq s THR 324 Ca 0.10 0.39 0.16 0.00 -1.18 0.00 0.00 61.69 61.16 1kfq s THR 324 Cb -0.17 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.94 1kfq s THR 324 CO 0.12 -0.17 2.13 -0.65 -0.54 0.00 0.00 174.62 175.51 1kfq h PRO 325 N 0.22 0.00 -0.01 3.99 0.11 -1.89 -0.49 132.00 133.93 1kfq h PRO 325 Ca -0.48 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 1kfq h PRO 325 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1kfq h PRO 325 CO 0.53 0.02 -0.66 0.77 -0.21 0.00 0.00 178.00 178.45 1kfq h SER 326 N 0.00 0.60 0.01 -2.05 0.02 -1.86 -2.81 113.55 107.46 1kfq h SER 326 Ca -0.00 -0.75 -0.11 0.00 -0.84 0.00 0.00 61.79 60.09 1kfq h SER 326 Cb 0.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1kfq h SER 326 CO 0.00 1.27 -0.34 0.44 -1.14 0.00 0.00 176.83 177.05 1kfq h ASP 327 N -0.01 0.48 -0.11 3.07 3.45 -1.90 -2.92 116.42 118.48 1kfq h ASP 327 Ca -0.08 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.22 1kfq h ASP 327 Cb 1.36 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.96 1kfq h ASP 327 CO 0.13 0.79 -0.09 -1.28 -1.57 0.00 0.00 179.24 177.22 1kfq h SER 328 N 0.40 -0.29 -0.69 6.45 0.87 -1.09 0.48 113.55 119.68 1kfq h SER 328 Ca 0.04 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1kfq h SER 328 Cb 0.79 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.85 1kfq h SER 328 CO 0.06 -0.13 0.41 0.25 -0.53 0.00 0.00 176.83 176.90 1kfq h LEU 329 N -0.11 0.64 -0.37 2.23 6.46 -1.46 -0.98 115.31 121.73 1kfq h LEU 329 Ca 0.07 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1kfq h LEU 329 Cb 0.21 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1kfq h LEU 329 CO -0.17 0.43 0.12 0.00 -0.62 0.00 0.00 178.44 178.20 1kfq h ALA 330 N 1.33 0.48 -0.68 1.25 0.00 -1.13 -1.59 119.26 118.92 1kfq h ALA 330 Ca 0.29 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1kfq h ALA 330 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1kfq h ALA 330 CO -0.15 0.12 0.12 0.28 0.00 0.00 0.00 179.25 179.62 1kfq h VAL 331 N 0.45 1.26 -0.45 0.00 2.07 0.37 -0.07 116.25 119.88 1kfq h VAL 331 Ca 0.12 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 1kfq h VAL 331 Cb 0.24 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1kfq h VAL 331 CO -0.01 0.39 -0.05 0.40 0.02 0.00 0.00 177.57 178.32 1kfq h ILE 332 N 1.05 1.25 -0.04 4.57 2.04 -1.13 -2.10 117.51 123.14 1kfq h ILE 332 Ca 0.21 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 1kfq h ILE 332 Cb 0.43 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1kfq h ILE 332 CO 0.01 0.37 0.01 0.00 0.00 0.00 0.00 178.15 178.54 1kfq h ALA 333 N 1.23 0.05 0.00 1.87 0.00 -0.80 -1.34 119.26 120.27 1kfq h ALA 333 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kfq h ALA 333 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kfq h ALA 333 CO 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 179.25 178.94 1kfq h ALA 334 N 0.79 1.57 -0.46 0.00 0.00 -0.82 -1.13 119.26 119.20 1kfq h ALA 334 Ca 0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1kfq h ALA 334 Cb 0.24 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 1kfq h ALA 334 CO 0.00 0.01 0.08 0.09 0.00 0.00 0.00 179.25 179.43 1kfq n ASN 335 N -3.92 3.36 -0.35 0.00 4.13 -0.81 -4.73 115.26 112.96 1kfq n ASN 335 Ca -0.03 -3.46 0.10 0.00 1.68 0.00 0.00 54.58 52.87 1kfq n ASN 335 Cb 0.09 -0.65 0.29 0.00 -1.54 0.00 0.00 39.78 37.97 1kfq n ASN 335 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kfq h ALA 336 N 1.46 1.63 0.00 5.41 0.00 -0.04 -1.78 119.26 125.93 1kfq h ALA 336 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1kfq h ALA 336 Cb 1.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1kfq h ALA 336 CO 0.48 0.07 0.00 -0.91 0.00 0.00 0.00 179.25 178.89 1kfq h ASN 337 N 0.86 0.00 0.43 0.00 -0.26 -1.84 0.13 115.58 114.91 1kfq h ASN 337 Ca 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.26 1kfq h ASN 337 Cb 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1kfq h ASN 337 CO -0.30 0.00 -1.15 0.18 -1.06 0.00 0.00 177.43 175.10 1kfq n LEU 338 N -2.62 0.57 -0.07 1.61 4.77 -0.67 -4.63 117.00 115.96 1kfq n LEU 338 Ca -0.02 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1kfq n LEU 338 Cb 0.07 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1kfq n LEU 338 CO 0.15 0.01 -0.65 -0.38 -1.33 0.00 0.00 177.39 175.19 1kfq n ILE 339 N -2.08 1.41 -3.19 -0.08 5.41 -0.15 -4.93 119.36 115.75 1kfq n ILE 339 Ca 0.01 0.12 -0.39 0.00 1.00 0.00 0.00 62.75 63.48 1kfq n ILE 339 Cb 0.47 -2.13 -0.06 0.00 -0.71 0.00 0.00 39.64 37.20 1kfq n ILE 339 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1kfq s PHE 340 N -2.67 3.41 0.14 1.39 0.40 0.27 -4.95 117.98 115.97 1kfq s PHE 340 Ca -0.24 0.89 -0.27 0.00 -0.60 0.00 0.00 56.93 56.72 1kfq s PHE 340 Cb 0.05 -2.72 -0.06 0.00 0.51 0.00 0.00 43.02 40.80 1kfq s PHE 340 CO 0.35 -0.08 1.35 0.36 0.70 0.00 0.00 175.22 177.90 1kfq n LYS 341 N 4.65 -0.38 -1.93 0.44 2.85 -1.26 -1.85 118.16 120.68 1kfq n LYS 341 Ca -0.03 1.32 -0.32 0.00 -1.05 0.00 0.00 58.31 58.23 1kfq n LYS 341 Cb 0.50 -1.94 0.04 0.00 -0.65 0.00 0.00 35.03 32.98 1kfq n LYS 341 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1kfq n ASN 342 N -5.04 6.29 -0.39 -5.58 4.13 -1.26 -5.07 115.26 108.34 1kfq n ASN 342 Ca 0.02 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.50 1kfq n ASN 342 Cb 0.22 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 1kfq n ASN 342 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kfq n GLY 343 N -0.66 -0.91 3.74 7.41 0.00 -0.77 -4.82 105.19 109.18 1kfq n GLY 343 Ca 0.50 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1kfq n GLY 343 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfq s LEU 344 N 0.00 4.28 0.08 0.99 2.96 -1.26 -4.79 118.68 120.94 1kfq s LEU 344 Ca 0.00 0.64 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1kfq s LEU 344 Cb 0.00 -2.47 -0.25 0.00 0.50 0.00 0.00 46.19 43.97 1kfq s LEU 344 CO 0.00 0.11 1.13 -0.07 -1.32 0.00 0.00 176.35 176.19 1kfq h LEU 345 N 6.42 0.21 0.00 -0.68 3.38 -1.88 -3.47 115.31 119.29 1kfq h LEU 345 Ca -0.43 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1kfq h LEU 345 Cb 1.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1kfq h LEU 345 CO 0.73 1.20 0.00 0.61 0.09 0.00 0.00 178.44 181.07 1kfq n GLY 346 N 1.48 1.02 3.11 0.83 0.00 -1.19 -4.48 105.19 105.96 1kfq n GLY 346 Ca -0.07 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1kfq n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfq s ALA 347 N -2.00 -0.09 0.08 4.61 0.00 -0.07 -2.76 121.76 121.53 1kfq s ALA 347 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1kfq s ALA 347 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1kfq s ALA 347 CO 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 175.76 175.39 1kfq s ALA 348 N -2.38 0.87 0.02 0.00 0.00 -0.80 -0.23 121.76 119.23 1kfq s ALA 348 Ca -0.07 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 1kfq s ALA 348 Cb -0.02 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1kfq s ALA 348 CO -0.04 -0.16 0.28 -0.98 0.00 0.00 0.00 175.76 174.86 1kfq s ARG 349 N -3.13 0.71 0.58 0.00 1.70 -0.75 -2.56 118.95 115.49 1kfq s ARG 349 Ca 0.05 -0.38 -0.17 0.00 -0.47 0.00 0.00 55.73 54.76 1kfq s ARG 349 Cb 0.00 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 1kfq s ARG 349 CO -0.03 -0.21 1.06 -1.54 -1.08 0.00 0.00 175.30 173.51 1kfq s SER 350 N -1.70 5.82 0.19 -2.89 1.04 -1.23 -1.86 113.70 113.06 1kfq s SER 350 Ca -0.09 1.88 -0.15 0.00 0.48 0.00 0.00 55.95 58.07 1kfq s SER 350 Cb -0.03 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.73 1kfq s SER 350 CO 0.00 -1.14 1.64 -0.03 0.98 0.00 0.00 173.24 174.70 1kfq h MET 351 N 0.66 0.01 0.00 4.02 4.05 0.34 -0.36 114.93 123.64 1kfq h MET 351 Ca -0.48 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1kfq h MET 351 Cb 1.23 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1kfq h MET 351 CO 0.57 0.01 0.00 -0.35 0.23 0.00 0.00 176.91 177.37 1kfq n PRO 352 N -5.37 0.11 -2.40 0.39 -0.04 -1.26 -4.74 135.00 121.69 1kfq n PRO 352 Ca 0.06 0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 63.55 1kfq n PRO 352 Cb 0.29 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 1kfq n PRO 352 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1kfq s THR 353 N -3.24 3.36 0.70 0.52 2.01 -0.15 -4.91 115.64 113.93 1kfq s THR 353 Ca 0.03 1.23 -0.17 0.00 0.31 0.00 0.00 61.69 63.10 1kfq s THR 353 Cb 0.08 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1kfq s THR 353 CO 0.29 0.19 0.55 -0.24 -0.69 0.00 0.00 174.62 174.72 1kfq n SER 354 N 0.57 -1.07 -2.18 3.53 2.88 -1.26 -4.87 113.62 111.22 1kfq n SER 354 Ca 0.02 0.62 -0.27 0.00 -1.33 0.00 0.00 58.87 57.91 1kfq n SER 354 Cb 0.46 -1.22 0.11 0.00 -0.75 0.00 0.00 64.21 62.81 1kfq n SER 354 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kfq n GLY 355 N 1.65 5.00 0.28 0.46 0.00 -1.26 -4.36 105.19 106.97 1kfq n GLY 355 Ca 0.10 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 1kfq n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfq h ALA 356 N 1.59 0.84 -0.73 4.61 0.00 -1.90 -2.76 119.26 120.91 1kfq h ALA 356 Ca 0.55 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1kfq h ALA 356 Cb 1.54 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1kfq h ALA 356 CO 1.25 0.65 0.45 1.25 0.00 0.00 0.00 179.25 182.85 1kfq h LEU 357 N 0.81 0.72 -1.57 0.00 5.85 -1.81 -2.40 115.31 116.90 1kfq h LEU 357 Ca 0.12 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1kfq h LEU 357 Cb 0.68 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1kfq h LEU 357 CO 0.05 0.48 0.44 0.44 -0.34 0.00 0.00 178.44 179.51 1kfq h ASP 358 N 0.85 0.43 0.46 1.25 3.45 -1.81 -0.23 116.42 120.83 1kfq h ASP 358 Ca 0.31 0.01 -0.13 0.00 0.43 0.00 0.00 57.03 57.65 1kfq h ASP 358 Cb 0.08 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1kfq h ASP 358 CO -0.14 0.25 -0.56 0.11 -1.57 0.00 0.00 179.24 177.34 1kfq h LYS 359 N 0.48 0.10 0.03 3.56 1.79 -1.44 -0.51 116.57 120.57 1kfq h LYS 359 Ca 0.31 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.59 1kfq h LYS 359 Cb 0.57 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1kfq h LYS 359 CO -0.10 0.63 -0.49 0.28 -1.08 0.00 0.00 179.45 178.70 1kfq h VAL 360 N 0.08 1.51 -0.89 0.50 2.07 -1.24 -2.99 116.25 115.28 1kfq h VAL 360 Ca -0.00 -2.14 0.05 0.00 0.82 0.00 0.00 66.70 65.43 1kfq h VAL 360 Cb 1.01 2.82 -0.06 0.00 -1.52 0.00 0.00 31.29 33.54 1kfq h VAL 360 CO 0.08 0.60 0.57 0.00 0.02 0.00 0.00 177.57 178.84 1kfq h ALA 361 N 0.24 1.21 0.00 1.67 0.00 -0.97 -0.40 119.26 121.00 1kfq h ALA 361 Ca -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1kfq h ALA 361 Cb 1.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1kfq h ALA 361 CO 0.09 0.36 -0.19 0.00 0.00 0.00 0.00 179.25 179.51 1kfq h ALA 362 N 1.40 0.98 0.00 0.00 0.00 -1.16 -1.68 119.26 118.80 1kfq h ALA 362 Ca 0.38 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1kfq h ALA 362 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1kfq h ALA 362 CO -0.15 0.24 -1.58 1.17 0.00 0.00 0.00 179.25 178.93 1kfq n LYS 363 N -3.30 0.64 -0.33 0.00 4.81 -0.80 -4.31 118.16 114.87 1kfq n LYS 363 Ca 0.01 0.04 0.08 0.00 -0.87 0.00 0.00 58.31 57.56 1kfq n LYS 363 Cb 0.45 -1.70 0.21 0.00 0.02 0.00 0.00 35.03 34.01 1kfq n LYS 363 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1kfq n ASN 364 N -2.62 3.46 -1.78 3.14 5.03 -0.23 -4.98 115.26 117.28 1kfq n ASN 364 Ca -0.08 -2.69 -0.19 0.00 0.87 0.00 0.00 54.58 52.49 1kfq n ASN 364 Cb 0.71 -0.43 -0.05 0.00 -1.02 0.00 0.00 39.78 38.99 1kfq n ASN 364 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kfq n GLY 365 N -0.26 0.91 3.75 7.41 0.00 -1.02 -4.97 105.19 111.01 1kfq n GLY 365 Ca 0.17 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1kfq n GLY 365 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfq s ILE 366 N -2.82 4.36 0.02 -0.61 -1.09 -0.66 -5.01 121.20 115.39 1kfq s ILE 366 Ca 0.00 1.89 -0.30 0.00 -2.23 0.00 0.00 60.65 60.01 1kfq s ILE 366 Cb 0.00 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.58 1kfq s ILE 366 CO 0.00 0.45 1.47 -0.75 -1.23 0.00 0.00 174.94 174.88 1kfq s LYS 367 N -0.75 4.26 -0.07 2.79 2.47 -1.26 -4.66 119.74 122.53 1kfq s LYS 367 Ca 0.40 2.07 0.01 0.00 -1.56 0.00 0.00 55.97 56.89 1kfq s LYS 367 Cb -0.24 -3.56 -0.03 0.00 -1.46 0.00 0.00 37.83 32.54 1kfq s LYS 367 CO 0.28 -0.61 -0.06 -1.17 0.16 0.00 0.00 175.35 173.95 1kfq s LEU 368 N 2.39 3.19 -0.06 5.43 1.98 -1.26 -0.89 118.68 129.47 1kfq s LEU 368 Ca 0.67 -0.01 0.02 0.00 -2.89 0.00 0.00 54.13 51.92 1kfq s LEU 368 Cb -0.34 -1.70 0.01 0.00 0.66 0.00 0.00 46.19 44.82 1kfq s LEU 368 CO 0.28 0.36 -0.12 -0.36 -1.89 0.00 0.00 176.35 174.62 1kfq s PHE 369 N -0.82 1.39 -0.13 5.38 0.08 0.68 -4.94 117.98 119.62 1kfq s PHE 369 Ca 0.13 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 1kfq s PHE 369 Cb -0.11 -1.02 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 1kfq s PHE 369 CO 0.02 -0.24 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.80 1kfq s GLU 370 N 0.57 3.39 0.23 0.44 2.12 -1.26 -1.80 118.70 122.39 1kfq s GLU 370 Ca -0.12 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1kfq s GLU 370 Cb -0.15 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.47 1kfq s GLU 370 CO 0.03 0.29 0.09 0.95 -0.54 0.00 0.00 175.26 176.08 1kfq s THR 371 N 0.18 0.46 0.83 -1.70 -4.23 -0.78 -4.91 115.64 105.49 1kfq s THR 371 Ca -0.05 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.35 1kfq s THR 371 Cb -0.14 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 71.25 1kfq s THR 371 CO 0.04 -0.07 1.13 -2.84 -0.54 0.00 0.00 174.62 172.33 1kfq s PRO 372 N -4.04 1.77 0.13 3.99 0.02 -1.26 0.98 135.00 136.58 1kfq s PRO 372 Ca 0.36 0.40 -0.31 0.00 0.02 0.00 0.00 61.00 61.47 1kfq s PRO 372 Cb 0.07 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 1kfq s PRO 372 CO 0.12 -1.78 1.59 0.99 -0.33 0.00 0.00 177.00 177.58 1kfq s THR 373 N -3.29 2.83 0.00 0.99 2.01 -1.26 -4.70 115.64 112.21 1kfq s THR 373 Ca 0.62 0.50 0.00 0.00 0.31 0.00 0.00 61.69 63.12 1kfq s THR 373 Cb -0.14 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1kfq s THR 373 CO 0.53 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 1kfq n GLY 374 N 3.82 4.22 0.26 4.40 0.00 -1.26 -4.98 105.19 111.65 1kfq n GLY 374 Ca 0.14 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.26 1kfq n GLY 374 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1kfq h TRP 375 N 0.00 0.00 -0.91 1.61 6.55 -1.99 -2.93 115.95 118.28 1kfq h TRP 375 Ca 0.00 0.00 0.25 0.00 0.95 0.00 0.00 58.89 60.09 1kfq h TRP 375 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.26 1kfq h TRP 375 CO 0.00 0.08 0.64 0.87 -1.05 0.00 0.00 178.44 178.99 1kfq h LYS 376 N 0.00 0.08 0.00 0.49 1.57 -1.95 0.71 116.57 117.47 1kfq h LYS 376 Ca -0.00 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1kfq h LYS 376 Cb 0.61 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1kfq h LYS 376 CO 0.01 0.05 -0.60 0.74 -0.57 0.00 0.00 179.45 179.08 1kfq h PHE 377 N 0.08 0.00 0.00 -1.35 0.04 -1.85 -2.68 116.94 111.18 1kfq h PHE 377 Ca 0.44 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 61.02 1kfq h PHE 377 Cb 1.63 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.75 1kfq h PHE 377 CO -0.00 0.60 -0.99 0.74 -0.60 0.00 0.00 178.31 178.06 1kfq h PHE 378 N 0.00 0.00 0.24 -0.55 0.05 -0.01 -3.29 116.94 113.38 1kfq h PHE 378 Ca -0.01 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.79 1kfq h PHE 378 Cb 1.16 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 39.09 1kfq h PHE 378 CO 0.00 0.84 -0.29 0.78 -0.18 0.00 0.00 178.31 179.46 1kfq h GLY 379 N 3.24 -0.62 0.92 -1.45 0.00 0.18 -1.45 103.07 103.90 1kfq h GLY 379 Ca -0.05 0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.62 1kfq h GLY 379 CO 0.10 -0.25 0.05 3.43 0.00 0.00 0.00 176.54 179.87 1kfq h ASN 380 N -0.57 0.07 -0.99 0.19 2.35 -1.61 -2.15 115.58 112.87 1kfq h ASN 380 Ca 0.00 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 55.87 1kfq h ASN 380 Cb 0.55 -0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.84 1kfq h ASN 380 CO -0.09 0.06 0.63 -0.07 -1.65 0.00 0.00 177.43 176.31 1kfq h LEU 381 N 0.12 0.92 -0.49 1.61 3.38 -1.59 -2.07 115.31 117.19 1kfq h LEU 381 Ca 0.05 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1kfq h LEU 381 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1kfq h LEU 381 CO -0.05 0.51 -0.36 0.24 0.09 0.00 0.00 178.44 178.88 1kfq h MET 382 N 1.00 0.86 0.00 1.13 2.86 -0.92 -1.39 114.93 118.47 1kfq h MET 382 Ca 0.48 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1kfq h MET 382 Cb 0.44 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1kfq h MET 382 CO -0.24 1.07 -0.26 -0.44 1.06 0.00 0.00 176.91 178.10 1kfq h ASP 383 N 0.71 0.00 -0.26 1.22 3.45 -0.74 -1.87 116.42 118.94 1kfq h ASP 383 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1kfq h ASP 383 Cb 0.93 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 1kfq h ASP 383 CO 0.09 0.26 0.00 0.00 -1.57 0.00 0.00 179.24 178.02 1kfq n ALA 384 N -2.48 2.64 -2.35 3.45 0.00 -0.92 -4.89 120.51 115.97 1kfq n ALA 384 Ca -0.02 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.68 1kfq n ALA 384 Cb 0.32 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 1kfq n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfq n GLY 385 N 0.70 -0.33 0.09 0.00 0.00 -0.70 -4.89 105.19 100.05 1kfq n GLY 385 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1kfq n GLY 385 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kfq h LEU 386 N 0.00 0.00 -7.89 0.99 3.38 -1.45 -3.48 115.31 106.86 1kfq h LEU 386 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 1kfq h LEU 386 Cb 1.32 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.89 1kfq h LEU 386 CO 0.52 0.84 -0.51 0.27 0.09 0.00 0.00 178.44 179.65 1kfq s ILE 387 N -2.72 0.13 0.00 1.22 -4.36 -1.23 -3.16 121.20 111.07 1kfq s ILE 387 Ca -0.04 -1.08 0.15 0.00 -0.26 0.00 0.00 60.65 59.42 1kfq s ILE 387 Cb 0.08 -0.89 0.24 0.00 1.25 0.00 0.00 42.46 43.14 1kfq s ILE 387 CO 0.82 -0.59 1.09 -0.46 0.24 0.00 0.00 174.94 176.04 1kfq n ASN 388 N 0.76 0.56 -3.65 4.36 6.94 -1.11 -4.51 115.26 118.61 1kfq n ASN 388 Ca -0.19 -2.00 -0.10 0.00 -0.02 0.00 0.00 54.58 52.27 1kfq n ASN 388 Cb 0.58 -0.26 -0.08 0.00 -2.36 0.00 0.00 39.78 37.67 1kfq n ASN 388 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1kfq s LEU 389 N 0.00 -0.65 0.00 -4.53 2.96 -1.25 -4.12 118.68 111.09 1kfq s LEU 389 Ca 0.19 1.36 -0.28 0.00 -0.22 0.00 0.00 54.13 55.18 1kfq s LEU 389 Cb 0.22 2.20 0.10 0.00 0.50 0.00 0.00 46.19 49.20 1kfq s LEU 389 CO -0.10 -0.23 0.84 0.00 -1.32 0.00 0.00 176.35 175.54 1kfq s GLY 391 N -2.29 -0.38 0.29 0.00 0.00 -1.06 -0.10 107.32 103.78 1kfq s GLY 391 Ca 0.03 0.76 0.08 0.00 0.00 0.00 0.00 44.72 45.58 1kfq s GLY 391 CO -0.07 0.23 -0.10 -0.54 0.00 0.00 0.00 173.10 172.62 1kfq s GLU 392 N -3.08 1.61 0.21 2.90 2.02 0.15 -3.58 118.70 118.94 1kfq s GLU 392 Ca 0.08 -1.80 0.24 0.00 0.02 0.00 0.00 54.97 53.51 1kfq s GLU 392 Cb -0.01 -1.39 0.91 0.00 0.10 0.00 0.00 34.13 33.75 1kfq s GLU 392 CO -0.05 0.12 1.73 -0.85 0.02 0.00 0.00 175.26 176.24 1kfq n GLU 393 N -0.62 0.19 -1.36 1.61 0.00 -1.26 -3.35 120.64 115.86 1kfq n GLU 393 Ca -0.06 0.31 -0.25 0.00 0.00 0.00 0.00 57.16 57.16 1kfq n GLU 393 Cb 0.63 -1.80 -0.09 0.00 0.00 0.00 0.00 31.44 30.18 1kfq n GLU 393 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1kfq n SER 394 N -2.15 6.55 -3.97 -1.84 3.41 -1.26 -4.65 113.62 109.70 1kfq n SER 394 Ca 0.04 -2.85 -0.29 0.00 -0.26 0.00 0.00 58.87 55.51 1kfq n SER 394 Cb 0.31 -1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 62.88 1kfq n SER 394 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1kfq n PHE 395 N 1.94 -1.61 -3.85 7.33 3.72 -1.24 -4.92 117.46 118.84 1kfq n PHE 395 Ca 0.53 0.62 -0.19 0.00 -0.05 0.00 0.00 57.45 58.35 1kfq n PHE 395 Cb 0.60 -3.47 -0.17 0.00 -0.94 0.00 0.00 39.48 35.50 1kfq n PHE 395 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1kfq s GLY 396 N -4.16 0.31 -0.01 1.37 0.00 -1.21 -1.59 107.32 102.03 1kfq s GLY 396 Ca 0.12 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.93 1kfq s GLY 396 CO 0.91 0.89 -0.05 -1.59 0.00 0.00 0.00 173.10 173.26 1kfq s THR 397 N 1.50 0.47 0.29 0.90 2.01 -1.26 0.32 115.64 119.87 1kfq s THR 397 Ca -0.03 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1kfq s THR 397 Cb -0.13 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 71.97 1kfq s THR 397 CO -0.03 0.15 0.56 -0.83 -0.69 0.00 0.00 174.62 173.78 1kfq s GLY 398 N 0.10 0.58 0.04 4.40 0.00 0.86 -1.82 107.32 111.49 1kfq s GLY 398 Ca -0.01 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.84 1kfq s GLY 398 CO -0.00 -0.57 0.04 -1.26 0.00 0.00 0.00 173.10 171.31 1kfq n SER 399 N -0.71 -0.04 -1.14 1.64 2.88 -1.26 -1.54 113.62 113.45 1kfq n SER 399 Ca -0.02 -1.29 0.09 0.00 -1.33 0.00 0.00 58.87 56.32 1kfq n SER 399 Cb 0.61 0.22 0.27 0.00 -0.75 0.00 0.00 64.21 64.56 1kfq n SER 399 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1kfq n ASN 400 N -2.79 3.32 0.24 -3.46 0.23 -1.26 -4.22 115.26 107.32 1kfq n ASN 400 Ca 0.01 -2.06 0.16 0.00 -0.53 0.00 0.00 54.58 52.16 1kfq n ASN 400 Cb 0.08 -0.42 0.75 0.00 -2.08 0.00 0.00 39.78 38.11 1kfq n ASN 400 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1kfq h HIS 401 N 3.45 0.00 -2.46 -2.53 2.07 -1.96 -3.44 115.15 110.28 1kfq h HIS 401 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 1kfq h HIS 401 Cb 0.87 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.84 1kfq h HIS 401 CO 0.44 0.00 -0.02 0.44 -3.07 0.00 0.00 177.93 175.72 1kfq n ILE 402 N -2.74 0.00 -3.76 6.12 -5.35 -1.26 -4.92 119.36 107.45 1kfq n ILE 402 Ca -0.00 -0.41 -0.28 0.00 -0.27 0.00 0.00 62.75 61.79 1kfq n ILE 402 Cb 0.19 0.27 -0.12 0.00 -1.74 0.00 0.00 39.64 38.23 1kfq n ILE 402 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1kfq s ARG 403 N -2.17 1.93 0.00 6.28 1.81 -1.26 -4.89 118.95 120.65 1kfq s ARG 403 Ca 0.07 -2.87 0.00 0.00 -1.72 0.00 0.00 55.73 51.21 1kfq s ARG 403 Cb -0.00 -2.80 0.00 0.00 -0.45 0.00 0.00 34.95 31.69 1kfq s ARG 403 CO 0.05 -1.29 0.00 0.39 -0.68 0.00 0.00 175.30 173.77 1kfq n GLU 404 N 2.41 0.00 -1.91 3.54 -0.58 -1.26 -4.36 120.64 118.48 1kfq n GLU 404 Ca 0.20 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.64 1kfq n GLU 404 Cb 0.38 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.29 1kfq n GLU 404 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1kfq s LYS 405 N -2.00 2.99 -0.27 3.49 -0.14 -1.26 -4.64 119.74 117.91 1kfq s LYS 405 Ca 0.00 0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 55.06 1kfq s LYS 405 Cb 0.00 -2.04 0.10 0.00 -1.68 0.00 0.00 37.83 34.21 1kfq s LYS 405 CO 0.00 -0.94 0.18 0.34 -0.76 0.00 0.00 175.35 174.17 1kfq s ASP 406 N -4.33 2.69 0.07 2.83 -1.08 -0.76 -4.60 116.67 111.49 1kfq s ASP 406 Ca 0.57 -0.96 -0.29 0.00 -0.52 0.00 0.00 52.55 51.35 1kfq s ASP 406 Cb -0.11 -0.04 -0.17 0.00 -1.46 0.00 0.00 42.92 41.14 1kfq s ASP 406 CO 0.52 -0.40 1.63 1.23 0.52 0.00 0.00 175.17 178.67 1kfq h GLY 407 N 8.36 -0.58 0.96 2.66 0.00 -0.32 -1.72 103.07 112.44 1kfq h GLY 407 Ca -0.17 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1kfq h GLY 407 CO 0.38 -0.21 0.59 -2.22 0.00 0.00 0.00 176.54 175.08 1kfq h ILE 408 N -0.58 1.13 -0.58 2.60 1.08 -1.88 -1.70 117.51 117.58 1kfq h ILE 408 Ca -0.06 -0.38 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 1kfq h ILE 408 Cb 0.44 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 1kfq h ILE 408 CO 0.09 0.20 0.38 -0.25 -0.69 0.00 0.00 178.15 177.88 1kfq h TRP 409 N 1.10 0.72 -0.57 1.37 7.01 -1.91 0.07 115.95 123.75 1kfq h TRP 409 Ca 0.36 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.34 1kfq h TRP 409 Cb 0.06 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 1kfq h TRP 409 CO -0.00 0.45 0.20 0.00 -2.79 0.00 0.00 178.44 176.29 1kfq h ALA 410 N 1.22 1.29 -0.12 2.65 0.00 -0.45 0.61 119.26 124.45 1kfq h ALA 410 Ca 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1kfq h ALA 410 Cb -0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1kfq h ALA 410 CO -0.05 0.52 -0.17 0.28 0.00 0.00 0.00 179.25 179.83 1kfq h VAL 411 N 0.82 1.37 -0.29 0.00 2.07 -0.82 -2.04 116.25 117.36 1kfq h VAL 411 Ca 0.19 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1kfq h VAL 411 Cb 0.20 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1kfq h VAL 411 CO -0.01 0.40 0.19 -0.07 0.02 0.00 0.00 177.57 178.10 1kfq h LEU 412 N -0.09 0.20 -0.10 2.57 3.38 -0.76 0.16 115.31 120.66 1kfq h LEU 412 Ca 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1kfq h LEU 412 Cb 0.72 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1kfq h LEU 412 CO 0.04 0.13 0.02 0.00 0.09 0.00 0.00 178.44 178.72 1kfq h ALA 413 N 1.84 0.14 -0.63 1.53 0.00 -0.56 -1.65 119.26 119.94 1kfq h ALA 413 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1kfq h ALA 413 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1kfq h ALA 413 CO -0.02 -0.22 0.21 -1.49 0.00 0.00 0.00 179.25 177.73 1kfq h TRP 414 N -0.05 0.96 -0.07 0.00 4.06 -0.49 -2.11 115.95 118.25 1kfq h TRP 414 Ca 0.03 -0.07 -0.09 0.00 2.06 0.00 0.00 58.89 60.82 1kfq h TRP 414 Cb 0.27 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1kfq h TRP 414 CO 0.01 0.76 -0.37 -0.07 -3.56 0.00 0.00 178.44 175.21 1kfq h LEU 415 N 0.92 0.15 -0.43 -4.49 3.38 -0.66 -1.58 115.31 112.60 1kfq h LEU 415 Ca 0.21 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1kfq h LEU 415 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1kfq h LEU 415 CO -0.01 0.51 -0.26 0.74 0.09 0.00 0.00 178.44 179.51 1kfq h THR 416 N 0.13 1.27 -0.37 0.22 2.02 -0.72 0.16 112.91 115.62 1kfq h THR 416 Ca 0.01 -1.42 -0.08 0.00 0.77 0.00 0.00 66.41 65.69 1kfq h THR 416 Cb 0.71 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1kfq h THR 416 CO 0.05 0.48 -0.08 0.40 0.37 0.00 0.00 175.52 176.75 1kfq h ILE 417 N 0.77 1.27 0.11 3.11 2.04 -1.14 -2.32 117.51 121.34 1kfq h ILE 417 Ca 0.09 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1kfq h ILE 417 Cb 0.84 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1kfq h ILE 417 CO 0.07 0.38 -0.05 -0.07 0.00 0.00 0.00 178.15 178.48 1kfq h LEU 418 N 0.51 -0.12 -0.89 1.44 3.38 -1.16 -2.19 115.31 116.28 1kfq h LEU 418 Ca 0.10 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1kfq h LEU 418 Cb 0.58 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1kfq h LEU 418 CO 0.03 0.02 0.53 0.00 0.09 0.00 0.00 178.44 179.11 1kfq h ALA 419 N 0.62 1.31 -0.40 1.53 0.00 -0.69 -1.80 119.26 119.83 1kfq h ALA 419 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1kfq h ALA 419 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1kfq h ALA 419 CO 0.02 0.13 -0.09 0.45 0.00 0.00 0.00 179.25 179.77 1kfq h HIS 420 N 0.86 0.75 0.00 0.00 3.86 -1.29 -1.25 115.15 118.08 1kfq h HIS 420 Ca 0.44 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.50 1kfq h HIS 420 Cb 0.43 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 1kfq h HIS 420 CO -0.04 0.76 -0.14 0.87 0.86 0.00 0.00 177.93 180.24 1kfq h LYS 421 N 0.64 0.00 -0.02 2.45 1.79 -0.76 -3.23 116.57 117.43 1kfq h LYS 421 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1kfq h LYS 421 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1kfq h LYS 421 CO 0.03 0.14 -0.13 0.09 -1.08 0.00 0.00 179.45 178.50 1kfq n ASN 422 N -3.14 2.40 -0.39 0.86 4.13 -0.74 -4.66 115.26 113.72 1kfq n ASN 422 Ca 0.03 -1.70 -0.08 0.00 1.68 0.00 0.00 54.58 54.51 1kfq n ASN 422 Cb 0.57 0.15 -0.07 0.00 -1.54 0.00 0.00 39.78 38.90 1kfq n ASN 422 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1kfq n LYS 423 N 0.75 -0.38 -3.52 3.52 4.81 -0.48 -3.49 118.16 119.37 1kfq n LYS 423 Ca 0.10 1.44 -0.27 0.00 -0.87 0.00 0.00 58.31 58.71 1kfq n LYS 423 Cb 0.47 -2.12 -0.10 0.00 0.02 0.00 0.00 35.03 33.30 1kfq n LYS 423 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1kfq n ASN 424 N -5.23 0.78 -4.05 3.14 5.03 -1.26 -5.10 115.26 108.56 1kfq n ASN 424 Ca 0.04 -2.69 -0.09 0.00 0.87 0.00 0.00 54.58 52.71 1kfq n ASN 424 Cb 0.28 -0.62 -0.10 0.00 -1.02 0.00 0.00 39.78 38.31 1kfq n ASN 424 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1kfq s THR 425 N -0.62 0.24 -0.08 3.41 2.01 -1.23 -5.07 115.64 114.31 1kfq s THR 425 Ca 0.31 -1.42 -0.09 0.00 0.31 0.00 0.00 61.69 60.80 1kfq s THR 425 Cb 0.03 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.51 1kfq s THR 425 CO -0.17 -0.75 0.35 -2.24 -0.69 0.00 0.00 174.62 171.12 1kfq h ASP 426 N 3.82 -0.16 -3.32 3.53 2.03 -1.98 -3.46 116.42 116.88 1kfq h ASP 426 Ca -0.33 -0.11 -0.51 0.00 -0.73 0.00 0.00 57.03 55.34 1kfq h ASP 426 Cb 1.17 0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1kfq h ASP 426 CO 0.54 0.37 -0.07 -1.38 -1.03 0.00 0.00 179.24 177.67 1kfq s HIS 427 N -2.35 3.48 -0.04 4.15 -3.43 -1.26 -5.04 115.29 110.80 1kfq s HIS 427 Ca -0.05 0.74 -0.30 0.00 -0.80 0.00 0.00 55.06 54.64 1kfq s HIS 427 Cb 0.00 -2.19 -0.04 0.00 -1.43 0.00 0.00 32.58 28.93 1kfq s HIS 427 CO 0.18 0.09 1.18 0.12 -2.00 0.00 0.00 174.74 174.30 1kfq s PHE 428 N -2.19 3.28 -0.52 0.38 2.19 -1.26 -4.98 117.98 114.88 1kfq s PHE 428 Ca 0.46 1.28 -0.26 0.00 0.33 0.00 0.00 56.93 58.74 1kfq s PHE 428 Cb -0.11 -3.39 0.03 0.00 -1.31 0.00 0.00 43.02 38.25 1kfq s PHE 428 CO 0.31 -1.17 1.00 0.08 1.83 0.00 0.00 175.22 177.27 1kfq s VAL 429 N 1.94 4.33 0.86 3.12 1.01 -1.26 -5.02 120.40 125.37 1kfq s VAL 429 Ca 0.56 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 1kfq s VAL 429 Cb -0.25 -4.54 0.10 0.00 0.00 0.00 0.00 36.38 31.69 1kfq s VAL 429 CO 0.23 -1.05 1.10 0.42 0.00 0.00 0.00 175.10 175.80 1kfq s THR 430 N 4.12 2.72 0.23 3.92 -4.23 -1.26 -4.88 115.64 116.26 1kfq s THR 430 Ca 0.37 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1kfq s THR 430 Cb -0.10 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 71.05 1kfq s THR 430 CO 0.24 -0.31 1.85 0.58 -0.54 0.00 0.00 174.62 176.44 1kfq h VAL 431 N -1.33 1.26 -0.80 2.29 2.07 -1.96 -1.44 116.25 116.34 1kfq h VAL 431 Ca -0.49 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 1kfq h VAL 431 Cb 1.29 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1kfq h VAL 431 CO 0.58 0.29 0.31 -0.08 0.02 0.00 0.00 177.57 178.70 1kfq h GLU 432 N 1.25 1.20 -0.19 1.57 4.81 -1.92 -1.57 114.58 119.73 1kfq h GLU 432 Ca 0.31 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 1kfq h GLU 432 Cb 0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1kfq h GLU 432 CO -0.05 0.97 -0.50 1.49 -0.73 0.00 0.00 179.01 180.20 1kfq h GLU 433 N 1.17 0.52 -0.52 1.92 4.81 -1.82 0.50 114.58 121.15 1kfq h GLU 433 Ca 0.27 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1kfq h GLU 433 Cb 0.23 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1kfq h GLU 433 CO -0.02 0.90 0.27 0.82 -0.73 0.00 0.00 179.01 180.25 1kfq h ILE 434 N 0.41 1.19 -0.24 2.32 2.04 -0.96 -1.35 117.51 120.92 1kfq h ILE 434 Ca 0.02 -0.50 -0.16 0.00 1.00 0.00 0.00 64.86 65.22 1kfq h ILE 434 Cb 1.02 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1kfq h ILE 434 CO 0.09 0.21 -0.46 0.58 0.00 0.00 0.00 178.15 178.57 1kfq h VAL 435 N 0.70 1.30 -0.89 1.67 2.07 -1.12 -2.84 116.25 117.15 1kfq h VAL 435 Ca 0.18 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1kfq h VAL 435 Cb 0.08 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1kfq h VAL 435 CO -0.03 0.53 0.57 0.74 0.02 0.00 0.00 177.57 179.41 1kfq h THR 436 N 0.46 1.23 0.00 2.57 2.02 -0.72 0.12 112.91 118.59 1kfq h THR 436 Ca 0.01 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 1kfq h THR 436 Cb 1.07 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1kfq h THR 436 CO 0.10 0.23 -0.27 1.56 0.37 0.00 0.00 175.52 177.52 1kfq h GLN 437 N 1.21 0.00 0.00 6.66 4.20 -1.26 0.47 115.11 126.40 1kfq h GLN 437 Ca 0.32 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 1kfq h GLN 437 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1kfq h GLN 437 CO -0.07 0.27 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.44 1kfq h TYR 438 N 0.00 -0.00 -0.43 2.96 3.20 -0.90 -2.57 116.97 119.22 1kfq h TYR 438 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1kfq h TYR 438 Cb 0.49 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1kfq h TYR 438 CO 0.00 0.38 0.23 -1.49 -1.64 0.00 0.00 178.16 175.64 1kfq h TRP 439 N -0.39 0.58 0.00 -3.82 6.55 -0.44 0.22 115.95 118.65 1kfq h TRP 439 Ca -0.00 -0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.77 1kfq h TRP 439 Cb 0.39 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.49 1kfq h TRP 439 CO 0.06 0.42 -0.31 1.96 -1.05 0.00 0.00 178.44 179.52 1kfq h GLN 440 N 0.60 0.00 0.09 0.49 4.20 -0.86 0.10 115.11 119.74 1kfq h GLN 440 Ca 0.15 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.52 1kfq h GLN 440 Cb 0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1kfq h GLN 440 CO -0.02 0.31 -1.89 0.94 -0.67 0.00 0.00 178.83 177.50 1kfq n GLN 441 N -3.74 0.71 0.00 1.46 7.27 -0.43 -4.58 117.38 118.07 1kfq n GLN 441 Ca -0.01 0.32 0.05 0.00 0.07 0.00 0.00 57.00 57.43 1kfq n GLN 441 Cb 0.41 -1.70 -0.06 0.00 2.41 0.00 0.00 30.24 31.29 1kfq n GLN 441 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1kfq n PHE 442 N -3.68 0.00 0.00 3.69 3.72 -0.06 -5.11 117.46 116.02 1kfq n PHE 442 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1kfq n PHE 442 Cb 0.97 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 1kfq n PHE 442 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kfq n GLY 443 N 1.25 -0.02 3.28 1.37 0.00 0.36 -4.92 105.19 106.52 1kfq n GLY 443 Ca 0.02 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1kfq n GLY 443 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kfq s ARG 444 N -1.53 2.03 -0.53 1.61 3.52 -0.49 -4.45 118.95 119.10 1kfq s ARG 444 Ca 0.00 -0.87 -0.11 0.00 -0.13 0.00 0.00 55.73 54.63 1kfq s ARG 444 Cb 0.00 -1.93 0.14 0.00 -1.56 0.00 0.00 34.95 31.60 1kfq s ARG 444 CO 0.00 0.50 0.43 -0.80 -0.81 0.00 0.00 175.30 174.62 1kfq s ASN 445 N -0.51 5.88 0.20 -2.12 -0.87 -1.26 -1.79 114.94 114.46 1kfq s ASN 445 Ca 0.08 -2.04 -0.30 0.00 -1.57 0.00 0.00 52.86 49.02 1kfq s ASN 445 Cb -0.10 -2.06 -0.08 0.00 -0.02 0.00 0.00 41.25 38.99 1kfq s ASN 445 CO -0.00 -0.69 1.25 -0.31 -2.57 0.00 0.00 177.10 174.78 1kfq s TYR 446 N 1.18 3.33 -0.05 2.20 1.51 -0.30 -4.88 117.35 120.34 1kfq s TYR 446 Ca 0.07 1.33 -0.05 0.00 -1.01 0.00 0.00 57.07 57.41 1kfq s TYR 446 Cb -0.25 -3.52 0.01 0.00 -0.11 0.00 0.00 41.96 38.09 1kfq s TYR 446 CO -0.01 -1.55 0.14 -0.47 -1.11 0.00 0.00 175.55 172.55 1kfq s TYR 447 N -0.01 -0.16 0.11 2.71 5.04 -1.26 -1.18 117.35 122.60 1kfq s TYR 447 Ca 0.54 0.39 -0.19 0.00 -2.44 0.00 0.00 57.07 55.37 1kfq s TYR 447 Cb -0.35 0.05 0.05 0.00 0.35 0.00 0.00 41.96 42.06 1kfq s TYR 447 CO 0.38 -0.08 0.47 0.45 -1.34 0.00 0.00 175.55 175.43 1kfq s SER 448 N 0.11 -0.36 -0.04 4.32 0.15 -0.42 -5.02 113.70 112.44 1kfq s SER 448 Ca -0.00 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.55 1kfq s SER 448 Cb -0.01 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1kfq s SER 448 CO 0.00 -0.83 -0.03 -0.60 1.20 0.00 0.00 173.24 172.98 1kfq s ARG 449 N -3.35 0.63 -0.24 5.44 3.52 0.13 -0.89 118.95 124.19 1kfq s ARG 449 Ca -0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 55.73 55.46 1kfq s ARG 449 Cb 0.00 -0.69 -0.04 0.00 -1.56 0.00 0.00 34.95 32.67 1kfq s ARG 449 CO -0.09 -0.08 0.09 0.71 -0.81 0.00 0.00 175.30 175.12 1kfq s TYR 450 N 0.87 3.16 -0.22 5.12 4.12 -0.14 -1.74 117.35 128.52 1kfq s TYR 450 Ca -0.11 -0.16 -0.10 0.00 0.02 0.00 0.00 57.07 56.73 1kfq s TYR 450 Cb -0.14 -2.22 -0.05 0.00 -1.52 0.00 0.00 41.96 38.04 1kfq s TYR 450 CO -0.00 -0.16 0.14 -0.51 0.02 0.00 0.00 175.55 175.03 1kfq s ASP 451 N 1.27 6.05 -0.50 2.29 -0.00 0.51 -1.51 116.67 124.78 1kfq s ASP 451 Ca 0.05 0.13 -0.01 0.00 -0.00 0.00 0.00 52.55 52.72 1kfq s ASP 451 Cb -0.15 -2.08 0.13 0.00 -0.00 0.00 0.00 42.92 40.83 1kfq s ASP 451 CO 0.04 0.11 0.29 -0.31 -0.00 0.00 0.00 175.17 175.30 1kfq s TYR 452 N 0.81 3.49 0.11 4.23 2.02 0.98 0.13 117.35 129.13 1kfq s TYR 452 Ca 0.07 -2.67 -0.15 0.00 -0.37 0.00 0.00 57.07 53.94 1kfq s TYR 452 Cb -0.13 -3.14 -0.07 0.00 -0.40 0.00 0.00 41.96 38.22 1kfq s TYR 452 CO 0.02 -0.89 0.53 -1.21 -1.57 0.00 0.00 175.55 172.43 1kfq s GLU 453 N 0.48 4.01 -1.11 -0.62 2.02 -1.26 -0.72 118.70 121.49 1kfq s GLU 453 Ca 0.13 0.53 -0.12 0.00 0.02 0.00 0.00 54.97 55.53 1kfq s GLU 453 Cb -0.22 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1kfq s GLU 453 CO -0.04 0.54 0.85 1.04 0.02 0.00 0.00 175.26 177.67 1kfq n GLN 454 N 1.11 -2.12 -3.42 1.61 6.02 -1.06 -4.99 117.38 114.54 1kfq n GLN 454 Ca -0.07 0.67 -0.27 0.00 -0.01 0.00 0.00 57.00 57.31 1kfq n GLN 454 Cb 0.52 -5.03 -0.03 0.00 1.02 0.00 0.00 30.24 26.72 1kfq n GLN 454 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1kfq s VAL 455 N -3.45 5.08 -0.12 5.09 1.01 -0.06 -4.90 120.40 123.05 1kfq s VAL 455 Ca 0.42 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1kfq s VAL 455 Cb -0.10 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1kfq s VAL 455 CO 0.80 -0.34 2.01 -0.62 0.00 0.00 0.00 175.10 176.95 1kfq s ASP 456 N -3.34 6.00 0.15 3.32 3.68 -1.26 -2.40 116.67 122.82 1kfq s ASP 456 Ca 0.42 2.13 -0.31 0.00 2.13 0.00 0.00 52.55 56.92 1kfq s ASP 456 Cb -0.11 -2.52 -0.08 0.00 -1.45 0.00 0.00 42.92 38.77 1kfq s ASP 456 CO 0.31 -1.49 1.53 -1.28 0.13 0.00 0.00 175.17 174.37 1kfq h SER 457 N 12.56 -2.05 -0.47 -0.34 0.87 -1.84 0.13 113.55 122.41 1kfq h SER 457 Ca -0.43 0.30 0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1kfq h SER 457 Cb 1.22 0.90 -0.06 0.00 -0.44 0.00 0.00 62.40 64.01 1kfq h SER 457 CO 0.96 -0.26 0.10 0.00 -0.53 0.00 0.00 176.83 177.10 1kfq h ALA 458 N 0.35 0.52 -0.71 6.23 0.00 -1.90 -0.89 119.26 122.86 1kfq h ALA 458 Ca 0.14 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.26 1kfq h ALA 458 Cb 0.44 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1kfq h ALA 458 CO -0.84 -0.30 0.47 0.78 0.00 0.00 0.00 179.25 179.36 1kfq h GLY 459 N 0.24 0.77 0.50 0.00 0.00 -1.28 -2.58 103.07 100.72 1kfq h GLY 459 Ca 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1kfq h GLY 459 CO -0.30 0.11 -0.11 0.00 0.00 0.00 0.00 176.54 176.24 1kfq h ALA 460 N 1.65 -0.30 -0.16 3.60 0.00 0.21 -2.98 119.26 121.29 1kfq h ALA 460 Ca 0.34 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1kfq h ALA 460 Cb 0.63 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1kfq h ALA 460 CO -0.11 -0.42 0.26 -0.91 0.00 0.00 0.00 179.25 178.07 1kfq h ASN 461 N -0.80 0.00 0.15 0.00 4.21 -1.14 0.17 115.58 118.18 1kfq h ASN 461 Ca -0.03 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.23 1kfq h ASN 461 Cb 0.51 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.72 1kfq h ASN 461 CO 0.05 0.00 -1.01 0.11 -1.29 0.00 0.00 177.43 175.29 1kfq h LYS 462 N 0.00 0.58 -0.09 0.81 6.56 -1.43 -2.84 116.57 120.15 1kfq h LYS 462 Ca 0.08 -0.62 -0.01 0.00 -1.06 0.00 0.00 60.65 59.03 1kfq h LYS 462 Cb 0.60 0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1kfq h LYS 462 CO -0.00 1.23 0.02 1.98 -2.06 0.00 0.00 179.45 180.62 1kfq h MET 463 N 0.32 0.15 -0.91 3.15 4.05 -0.55 -0.74 114.93 120.40 1kfq h MET 463 Ca -0.11 -0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.38 1kfq h MET 463 Cb 1.65 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 32.37 1kfq h MET 463 CO 0.19 0.35 0.58 0.52 0.23 0.00 0.00 176.91 178.78 1kfq h MET 464 N -0.08 0.83 -0.40 0.39 2.86 -1.39 -0.57 114.93 116.57 1kfq h MET 464 Ca 0.03 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 1kfq h MET 464 Cb 0.28 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1kfq h MET 464 CO 0.00 0.55 -0.22 0.93 1.06 0.00 0.00 176.91 179.23 1kfq h GLU 465 N 0.85 0.85 0.00 1.72 4.39 -1.23 -2.91 114.58 118.25 1kfq h GLU 465 Ca 0.43 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1kfq h GLU 465 Cb 0.50 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1kfq h GLU 465 CO -0.20 1.02 -0.04 1.25 -1.16 0.00 0.00 179.01 179.88 1kfq h HIS 466 N 0.66 0.00 -0.23 4.33 2.76 0.40 -2.37 115.15 120.70 1kfq h HIS 466 Ca 0.09 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.07 1kfq h HIS 466 Cb 0.78 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 1kfq h HIS 466 CO 0.06 0.04 -0.59 -0.07 -1.30 0.00 0.00 177.93 176.07 1kfq h LEU 467 N 0.00 0.84 -1.95 0.26 3.38 -1.13 -3.04 115.31 113.67 1kfq h LEU 467 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1kfq h LEU 467 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1kfq h LEU 467 CO 0.01 1.24 0.00 0.11 0.09 0.00 0.00 178.44 179.89 1kfq h LYS 468 N 0.56 0.00 0.00 1.13 1.57 -1.45 -1.28 116.57 117.10 1kfq h LYS 468 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kfq h LYS 468 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1kfq h LYS 468 CO 0.12 0.00 -0.91 0.25 -0.57 0.00 0.00 179.45 178.34 1kfq n THR 469 N -2.72 0.44 1.29 -0.16 -2.24 -1.15 -3.83 114.28 105.91 1kfq n THR 469 Ca -0.01 -0.40 0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1kfq n THR 469 Cb 0.12 -0.16 0.35 0.00 -2.10 0.00 0.00 70.33 68.54 1kfq n THR 469 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kfq n LYS 470 N -2.36 1.93 0.07 -0.78 4.76 -0.49 -4.56 118.16 116.74 1kfq n LYS 470 Ca 0.01 -1.36 -0.16 0.00 -2.87 0.00 0.00 58.31 53.94 1kfq n LYS 470 Cb 0.49 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 32.12 1kfq n LYS 470 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1kfq h PHE 471 N 3.31 -1.51 -0.90 2.13 0.05 -1.64 -1.89 116.94 116.49 1kfq h PHE 471 Ca 0.00 0.05 0.04 0.00 3.82 0.00 0.00 57.97 61.88 1kfq h PHE 471 Cb 0.70 0.65 -0.06 0.00 2.00 0.00 0.00 35.95 39.25 1kfq h PHE 471 CO 0.00 -0.56 0.58 -0.56 -0.18 0.00 0.00 178.31 177.58 1kfq h GLN 472 N -0.68 1.07 -0.96 1.51 3.07 -1.87 -1.16 115.11 116.08 1kfq h GLN 472 Ca 0.00 -0.06 0.14 0.00 0.09 0.00 0.00 58.65 58.82 1kfq h GLN 472 Cb 0.71 -0.24 -0.09 0.00 0.08 0.00 0.00 27.48 27.94 1kfq h GLN 472 CO -0.32 0.71 0.58 -0.92 0.09 0.00 0.00 178.83 178.97 1kfq h TYR 473 N 1.10 1.03 -0.50 0.06 3.20 -1.75 -1.48 116.97 118.63 1kfq h TYR 473 Ca 0.37 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.14 1kfq h TYR 473 Cb 0.04 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1kfq h TYR 473 CO -0.02 0.33 -0.19 0.35 -1.64 0.00 0.00 178.16 176.99 1kfq h PHE 474 N 0.85 1.16 0.00 -3.82 3.57 -0.42 -3.02 116.94 115.26 1kfq h PHE 474 Ca 0.51 -0.27 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1kfq h PHE 474 Cb 0.63 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1kfq h PHE 474 CO -0.02 1.11 -0.38 0.93 -2.23 0.00 0.00 178.31 177.71 1kfq h GLU 475 N 0.88 0.00 0.00 1.11 5.08 -0.96 -3.21 114.58 117.49 1kfq h GLU 475 Ca 0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1kfq h GLU 475 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1kfq h GLU 475 CO 0.06 0.38 -0.31 1.96 -1.00 0.00 0.00 179.01 180.10 1kfq h GLN 476 N 0.00 0.00 0.00 2.33 4.20 -1.25 -3.38 115.11 117.01 1kfq h GLN 476 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1kfq h GLN 476 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 1kfq h GLN 476 CO 0.05 0.31 0.00 1.28 -0.67 0.00 0.00 178.83 179.80 1kfq n LEU 477 N -3.24 0.00 -4.76 1.46 4.77 -1.14 -4.79 117.00 109.29 1kfq n LEU 477 Ca 0.02 0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 56.00 1kfq n LEU 477 Cb 0.61 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1kfq n LEU 477 CO 0.37 0.00 -0.27 -0.75 -1.33 0.00 0.00 177.39 175.41 1kfq s LYS 478 N -0.64 2.92 0.14 3.23 2.47 -1.26 -5.09 119.74 121.52 1kfq s LYS 478 Ca 0.00 -0.62 -0.30 0.00 -1.56 0.00 0.00 55.97 53.49 1kfq s LYS 478 Cb 0.00 -2.76 -0.07 0.00 -1.46 0.00 0.00 37.83 33.54 1kfq s LYS 478 CO 0.00 0.60 1.18 -0.65 0.16 0.00 0.00 175.35 176.64 1kfq s GLN 479 N -2.08 4.49 0.00 4.03 -1.52 -1.26 -2.85 119.66 120.47 1kfq s GLN 479 Ca 0.26 1.82 0.00 0.00 -1.95 0.00 0.00 55.36 55.49 1kfq s GLN 479 Cb -0.12 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 1kfq s GLN 479 CO 0.18 -0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.51 1kfq n GLY 480 N 2.52 2.35 3.74 3.09 0.00 -1.26 -4.69 105.19 110.94 1kfq n GLY 480 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1kfq n GLY 480 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kfq s ASN 481 N -1.56 6.68 -0.04 1.61 -0.87 -1.13 -3.14 114.94 116.49 1kfq s ASN 481 Ca 0.00 2.62 -0.00 0.00 -1.57 0.00 0.00 52.86 53.91 1kfq s ASN 481 Cb 0.00 -2.62 0.03 0.00 -0.02 0.00 0.00 41.25 38.64 1kfq s ASN 481 CO 0.00 -0.68 0.01 -0.75 -2.57 0.00 0.00 177.10 173.10 1kfq s LYS 482 N -0.25 0.31 -0.05 -0.60 2.36 -0.28 -4.59 119.74 116.64 1kfq s LYS 482 Ca 0.60 0.12 0.06 0.00 -2.55 0.00 0.00 55.97 54.19 1kfq s LYS 482 Cb -0.41 -0.57 -0.01 0.00 -1.05 0.00 0.00 37.83 35.79 1kfq s LYS 482 CO 0.42 -0.19 -0.22 0.00 1.55 0.00 0.00 175.35 176.91 1kfq s ALA 483 N 1.32 1.95 0.14 3.13 0.00 -1.26 -1.36 121.76 125.67 1kfq s ALA 483 Ca -0.06 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 1kfq s ALA 483 Cb -0.13 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.40 1kfq s ALA 483 CO -0.02 0.37 0.42 -0.40 0.00 0.00 0.00 175.76 176.13 1kfq n ASP 484 N 3.01 -0.94 -4.30 0.00 5.75 -0.18 -5.00 116.55 114.89 1kfq n ASP 484 Ca -0.18 -1.59 -0.35 0.00 -0.01 0.00 0.00 54.79 52.66 1kfq n ASP 484 Cb 0.52 1.55 -0.14 0.00 -1.03 0.00 0.00 41.12 42.03 1kfq n ASP 484 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1kfq s ILE 485 N -2.47 3.43 -0.21 2.12 1.01 -1.26 -1.00 121.20 122.82 1kfq s ILE 485 Ca 0.09 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1kfq s ILE 485 Cb -0.02 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1kfq s ILE 485 CO 0.04 0.31 1.89 -0.47 0.00 0.00 0.00 174.94 176.71 1kfq s TYR 486 N 1.46 1.64 -0.16 3.97 5.04 -0.15 -4.91 117.35 124.24 1kfq s TYR 486 Ca 0.04 0.43 0.01 0.00 -2.44 0.00 0.00 57.07 55.11 1kfq s TYR 486 Cb -0.15 -4.04 0.02 0.00 0.35 0.00 0.00 41.96 38.13 1kfq s TYR 486 CO -0.02 -3.64 -0.19 -0.51 -1.34 0.00 0.00 175.55 169.85 1kfq s ASP 487 N 5.95 2.97 -0.19 4.32 1.01 -1.26 -1.13 116.67 128.34 1kfq s ASP 487 Ca 0.85 -0.59 -0.08 0.00 0.71 0.00 0.00 52.55 53.44 1kfq s ASP 487 Cb -0.29 -1.38 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 1kfq s ASP 487 CO 0.34 0.00 0.07 -0.47 0.21 0.00 0.00 175.17 175.32 1kfq s TYR 488 N 1.24 3.25 -0.31 4.23 5.04 0.48 -4.97 117.35 126.29 1kfq s TYR 488 Ca 0.02 0.06 -0.02 0.00 -2.44 0.00 0.00 57.07 54.69 1kfq s TYR 488 Cb -0.13 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.12 1kfq s TYR 488 CO -0.10 0.11 0.02 0.08 -1.34 0.00 0.00 175.55 174.33 1kfq s VAL 489 N 0.53 2.98 -0.11 3.14 1.01 -1.26 -0.90 120.40 125.79 1kfq s VAL 489 Ca 0.04 -1.51 -0.36 0.00 0.00 0.00 0.00 61.98 60.15 1kfq s VAL 489 Cb -0.13 -2.77 -0.13 0.00 0.00 0.00 0.00 36.38 33.35 1kfq s VAL 489 CO 0.01 -0.19 1.77 -0.67 0.00 0.00 0.00 175.10 176.01 1kfq n ASP 490 N 4.60 2.97 0.00 3.32 2.03 0.57 -4.86 116.55 125.18 1kfq n ASP 490 Ca -0.11 1.03 0.09 0.00 0.52 0.00 0.00 54.79 56.32 1kfq n ASP 490 Cb 0.43 -1.30 0.55 0.00 -0.72 0.00 0.00 41.12 40.08 1kfq n ASP 490 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1kfq n PRO 491 N 5.62 0.55 -0.05 -0.67 -0.04 -1.26 -0.33 135.00 138.83 1kfq n PRO 491 Ca 0.23 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.60 1kfq n PRO 491 Cb 0.24 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 1kfq n PRO 491 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kfq n VAL 492 N -1.03 1.09 0.34 0.52 0.31 -1.26 -4.79 118.33 113.50 1kfq n VAL 492 Ca 0.13 0.04 0.07 0.00 -0.01 0.00 0.00 64.34 64.57 1kfq n VAL 492 Cb 0.07 -1.85 0.09 0.00 -0.91 0.00 0.00 33.84 31.25 1kfq n VAL 492 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kfq n ASP 493 N -3.83 2.35 -0.02 4.52 3.85 -1.25 -4.98 116.55 117.19 1kfq n ASP 493 Ca -0.18 -1.67 -0.00 0.00 -0.71 0.00 0.00 54.79 52.23 1kfq n ASP 493 Cb 0.48 -0.07 -0.00 0.00 -1.35 0.00 0.00 41.12 40.18 1kfq n ASP 493 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfq n GLN 494 N 0.72 -1.48 -1.70 0.11 3.00 0.55 -4.95 117.38 113.63 1kfq n GLN 494 Ca 0.09 0.39 -0.42 0.00 -0.01 0.00 0.00 57.00 57.05 1kfq n GLN 494 Cb 0.36 -4.50 0.00 0.00 0.00 0.00 0.00 30.24 26.10 1kfq n GLN 494 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1kfq n SER 495 N -0.74 2.61 -4.27 1.08 2.88 -1.26 -4.41 113.62 109.51 1kfq n SER 495 Ca -0.00 1.16 -0.33 0.00 -1.33 0.00 0.00 58.87 58.36 1kfq n SER 495 Cb 0.38 -1.49 -0.15 0.00 -0.75 0.00 0.00 64.21 62.20 1kfq n SER 495 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1kfq s VAL 496 N -1.15 2.65 -0.18 2.46 1.01 -1.26 -0.31 120.40 123.62 1kfq s VAL 496 Ca 0.58 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1kfq s VAL 496 Cb -0.54 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1kfq s VAL 496 CO 0.60 0.52 -0.11 -0.44 0.00 0.00 0.00 175.10 175.67 1kfq s SER 497 N 0.71 3.90 0.20 3.32 0.01 -0.08 -5.00 113.70 116.77 1kfq s SER 497 Ca -0.07 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.83 1kfq s SER 497 Cb -0.16 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 1kfq s SER 497 CO 0.01 0.06 0.10 -0.54 0.41 0.00 0.00 173.24 173.28 1kfq s LYS 498 N 0.99 2.69 -1.25 12.44 1.02 -1.26 -0.39 119.74 133.98 1kfq s LYS 498 Ca -0.01 -1.06 -0.09 0.00 0.02 0.00 0.00 55.97 54.82 1kfq s LYS 498 Cb -0.15 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1kfq s LYS 498 CO -0.02 0.44 0.67 0.09 -0.92 0.00 0.00 175.35 175.61 1kfq n ASN 499 N -0.58 -2.94 -1.78 2.83 3.02 -1.19 -4.86 115.26 109.76 1kfq n ASN 499 Ca -0.08 -0.96 -0.12 0.00 -0.03 0.00 0.00 54.58 53.39 1kfq n ASN 499 Cb 0.56 -3.51 0.16 0.00 -0.61 0.00 0.00 39.78 36.38 1kfq n ASN 499 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfq n GLN 500 N -4.23 2.30 0.00 3.52 1.13 -0.29 -4.97 117.38 114.85 1kfq n GLN 500 Ca -0.20 -2.14 0.00 0.00 -1.94 0.00 0.00 57.00 52.71 1kfq n GLN 500 Cb 0.64 -1.88 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1kfq n GLN 500 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kfq n GLY 501 N -0.41 3.50 3.53 1.08 0.00 -1.26 -4.86 105.19 106.77 1kfq n GLY 501 Ca 0.37 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1kfq n GLY 501 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfq s VAL 502 N -2.71 4.22 -0.03 1.61 1.01 -0.53 -0.98 120.40 122.99 1kfq s VAL 502 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1kfq s VAL 502 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1kfq s VAL 502 CO 0.00 0.47 -0.21 -0.13 0.00 0.00 0.00 175.10 175.22 1kfq s ARG 503 N 0.51 2.26 -0.35 2.72 0.52 -0.17 -1.33 118.95 123.11 1kfq s ARG 503 Ca -0.01 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1kfq s ARG 503 Cb -0.14 -2.17 0.11 0.00 0.52 0.00 0.00 34.95 33.28 1kfq s ARG 503 CO 0.02 0.58 0.14 -0.06 0.02 0.00 0.00 175.30 176.01 1kfq s PHE 504 N -0.65 1.80 -0.07 -0.53 0.40 -0.94 -1.01 117.98 116.99 1kfq s PHE 504 Ca 0.10 -1.98 0.02 0.00 -0.60 0.00 0.00 56.93 54.48 1kfq s PHE 504 Cb -0.10 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 1kfq s PHE 504 CO -0.00 -0.85 -0.12 0.14 0.70 0.00 0.00 175.22 175.09 1kfq s VAL 505 N 1.18 3.26 0.47 -0.44 -7.23 -0.47 -0.54 120.40 116.64 1kfq s VAL 505 Ca 0.13 -0.64 -0.05 0.00 -1.81 0.00 0.00 61.98 59.60 1kfq s VAL 505 Cb -0.20 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1kfq s VAL 505 CO -0.15 0.58 0.78 -0.36 -0.31 0.00 0.00 175.10 175.64 1kfq s PHE 506 N -0.61 3.56 -1.60 2.82 0.40 0.98 -1.12 117.98 122.40 1kfq s PHE 506 Ca 0.09 0.81 0.22 0.00 -0.60 0.00 0.00 56.93 57.46 1kfq s PHE 506 Cb -0.11 -2.30 1.19 0.00 0.51 0.00 0.00 43.02 42.31 1kfq s PHE 506 CO 0.01 -0.25 1.72 0.41 0.70 0.00 0.00 175.22 177.81 1kfq n GLY 507 N -2.17 -0.92 0.45 4.36 0.00 -1.19 -2.86 105.19 102.86 1kfq n GLY 507 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1kfq n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kfq n ASP 508 N -1.20 1.87 0.00 1.61 5.75 -1.26 -4.96 116.55 118.35 1kfq n ASP 508 Ca 0.12 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 1kfq n ASP 508 Cb 0.15 0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1kfq n ASP 508 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kfq n GLY 509 N 1.41 1.24 3.73 6.12 0.00 -1.13 -4.85 105.19 111.72 1kfq n GLY 509 Ca 0.09 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1kfq n GLY 509 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kfq s SER 510 N -0.67 4.60 0.21 1.61 0.01 -1.26 -4.78 113.70 113.42 1kfq s SER 510 Ca 0.00 2.50 -0.22 0.00 1.31 0.00 0.00 55.95 59.54 1kfq s SER 510 Cb 0.00 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.67 1kfq s SER 510 CO 0.00 -2.00 0.66 0.00 0.41 0.00 0.00 173.24 172.31 1kfq s ARG 511 N -3.51 1.48 -0.16 12.44 1.70 -0.58 -0.01 118.95 130.30 1kfq s ARG 511 Ca 0.79 -0.69 -0.02 0.00 -0.47 0.00 0.00 55.73 55.35 1kfq s ARG 511 Cb -0.34 0.59 0.05 0.00 -0.57 0.00 0.00 34.95 34.68 1kfq s ARG 511 CO 0.40 -0.66 0.01 0.42 -1.08 0.00 0.00 175.30 174.38 1kfq s ILE 512 N -3.80 0.63 -0.10 4.99 1.01 0.30 -1.49 121.20 122.74 1kfq s ILE 512 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1kfq s ILE 512 Cb -0.03 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1kfq s ILE 512 CO -0.04 -0.05 -0.09 -0.63 0.00 0.00 0.00 174.94 174.13 1kfq s ILE 513 N 1.83 3.45 -0.06 2.92 -1.09 0.85 -2.20 121.20 126.89 1kfq s ILE 513 Ca 0.00 -0.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1kfq s ILE 513 Cb -0.16 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 1kfq s ILE 513 CO -0.07 0.56 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.68 1kfq s PHE 514 N -0.26 2.67 -0.01 3.97 0.40 -0.44 0.83 117.98 125.14 1kfq s PHE 514 Ca 0.03 -0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1kfq s PHE 514 Cb -0.13 -1.65 -0.00 0.00 0.51 0.00 0.00 43.02 41.75 1kfq s PHE 514 CO 0.03 0.07 0.03 1.03 0.70 0.00 0.00 175.22 177.08 1kfq s ARG 515 N -0.49 0.12 -0.11 0.44 0.52 -0.40 -1.46 118.95 117.56 1kfq s ARG 515 Ca 0.06 -0.09 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1kfq s ARG 515 Cb -0.12 0.05 -0.00 0.00 0.52 0.00 0.00 34.95 35.40 1kfq s ARG 515 CO 0.02 -0.02 -0.20 -1.17 0.02 0.00 0.00 175.30 173.94 1kfq s LEU 516 N -0.33 2.30 -0.71 2.53 0.20 -1.26 -1.52 118.68 119.89 1kfq s LEU 516 Ca -0.04 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.32 1kfq s LEU 516 Cb -0.02 -1.48 0.17 0.00 -0.43 0.00 0.00 46.19 44.43 1kfq s LEU 516 CO -0.00 0.16 0.52 -0.44 -0.29 0.00 0.00 176.35 176.29 1kfq s SER 517 N 0.38 5.11 -1.50 3.68 0.01 -0.42 -4.99 113.70 115.97 1kfq s SER 517 Ca -0.15 -3.51 -0.13 0.00 1.31 0.00 0.00 55.95 53.46 1kfq s SER 517 Cb -0.17 -1.75 0.01 0.00 0.21 0.00 0.00 66.02 64.32 1kfq s SER 517 CO 0.07 -0.18 2.40 0.61 0.41 0.00 0.00 173.24 176.55 1kfq n GLY 518 N 2.51 4.38 2.90 3.44 0.00 -1.26 -2.85 105.19 114.30 1kfq n GLY 518 Ca 0.16 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.32 1kfq n GLY 518 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kfq n THR 519 N 4.74 3.31 0.00 2.61 -2.24 -1.26 -4.98 114.28 116.45 1kfq n THR 519 Ca 0.58 -5.61 0.00 0.00 -2.27 0.00 0.00 64.05 56.75 1kfq n THR 519 Cb 0.35 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 1kfq n THR 519 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfq n GLY 520 N -0.19 3.57 2.54 3.38 0.00 -1.26 -5.06 105.19 108.18 1kfq n GLY 520 Ca 0.32 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1kfq n GLY 520 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kfq s SER 521 N 1.83 3.20 -1.79 1.61 1.04 -1.26 -4.83 113.70 113.50 1kfq s SER 521 Ca 0.00 -2.27 0.00 0.00 0.48 0.00 0.00 55.95 54.16 1kfq s SER 521 Cb 0.00 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1kfq s SER 521 CO 0.00 -0.30 0.00 0.52 0.98 0.00 0.00 173.24 174.44 1kfq n VAL 522 N 3.96 -0.62 -3.30 5.02 0.31 -1.26 -4.92 118.33 117.52 1kfq n VAL 522 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.35 1kfq n VAL 522 Cb 0.36 -2.46 -0.06 0.00 -0.91 0.00 0.00 33.84 30.78 1kfq n VAL 522 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1kfq s GLY 523 N -2.24 -0.60 0.41 2.92 0.00 -1.26 -2.50 107.32 104.04 1kfq s GLY 523 Ca 0.00 0.25 0.07 0.00 0.00 0.00 0.00 44.72 45.03 1kfq s GLY 523 CO 0.00 3.08 0.56 0.00 0.00 0.00 0.00 173.10 176.74 1kfq n ALA 524 N 5.35 0.86 -2.93 3.20 0.00 -1.01 -4.38 120.51 121.60 1kfq n ALA 524 Ca 0.01 -1.47 -0.28 0.00 0.00 0.00 0.00 53.44 51.70 1kfq n ALA 524 Cb 0.49 0.40 -0.16 0.00 0.00 0.00 0.00 19.45 20.18 1kfq n ALA 524 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kfq s THR 525 N -1.52 1.69 -0.21 0.00 2.01 -1.13 -0.88 115.64 115.60 1kfq s THR 525 Ca 0.43 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 1kfq s THR 525 Cb -0.03 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1kfq s THR 525 CO 0.27 0.48 0.01 -0.63 -0.69 0.00 0.00 174.62 174.06 1kfq s ILE 526 N 0.06 3.99 -0.19 1.82 1.01 0.10 -1.30 121.20 126.69 1kfq s ILE 526 Ca -0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 1kfq s ILE 526 Cb -0.13 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1kfq s ILE 526 CO 0.04 0.42 -0.15 -0.13 0.00 0.00 0.00 174.94 175.12 1kfq s ARG 527 N 1.06 3.14 -0.18 2.79 0.52 -0.58 -0.01 118.95 125.69 1kfq s ARG 527 Ca 0.02 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.42 1kfq s ARG 527 Cb -0.14 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1kfq s ARG 527 CO 0.02 -0.17 0.02 0.42 0.02 0.00 0.00 175.30 175.61 1kfq s ILE 528 N 1.27 4.33 -0.34 1.52 1.01 -0.57 -1.27 121.20 127.15 1kfq s ILE 528 Ca 0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1kfq s ILE 528 Cb -0.14 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.43 1kfq s ILE 528 CO -0.08 0.46 0.12 -0.31 0.00 0.00 0.00 174.94 175.12 1kfq s TYR 529 N 0.56 3.26 -0.22 3.97 2.02 0.24 -0.96 117.35 126.22 1kfq s TYR 529 Ca 0.01 -1.41 -0.09 0.00 -0.37 0.00 0.00 57.07 55.20 1kfq s TYR 529 Cb -0.14 -2.31 -0.05 0.00 -0.40 0.00 0.00 41.96 39.07 1kfq s TYR 529 CO 0.02 -0.73 0.12 -0.06 -1.57 0.00 0.00 175.55 173.33 1kfq s PHE 530 N 1.41 3.30 -0.04 2.71 0.08 -0.07 -0.10 117.98 125.27 1kfq s PHE 530 Ca -0.01 0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.21 1kfq s PHE 530 Cb -0.20 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.08 1kfq s PHE 530 CO 0.03 0.11 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.22 1kfq s GLU 531 N 0.77 0.66 -0.10 0.44 2.12 -0.56 -1.31 118.70 120.73 1kfq s GLU 531 Ca 0.06 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1kfq s GLU 531 Cb -0.13 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.58 1kfq s GLU 531 CO 0.02 -0.07 -0.09 -1.14 -0.54 0.00 0.00 175.26 173.44 1kfq s GLN 532 N 0.81 1.54 0.05 4.30 2.00 -0.32 -1.53 119.66 126.51 1kfq s GLN 532 Ca -0.10 -0.29 -0.14 0.00 -2.00 0.00 0.00 55.36 52.83 1kfq s GLN 532 Cb -0.13 -1.50 -0.06 0.00 0.80 0.00 0.00 33.01 32.12 1kfq s GLN 532 CO -0.00 -0.18 0.45 0.12 -0.50 0.00 0.00 175.29 175.18 1kfq s PHE 533 N 1.38 3.68 -0.07 1.67 5.36 -1.26 -1.14 117.98 127.59 1kfq s PHE 533 Ca -0.01 0.99 -0.03 0.00 -0.96 0.00 0.00 56.93 56.92 1kfq s PHE 533 Cb -0.14 -2.29 0.04 0.00 -0.34 0.00 0.00 43.02 40.29 1kfq s PHE 533 CO -0.04 0.57 0.06 -1.21 -1.46 0.00 0.00 175.22 173.14 1kfq s GLU 534 N -1.42 0.06 0.29 10.12 0.41 -0.74 -4.89 118.70 122.52 1kfq s GLU 534 Ca 0.29 0.23 0.15 0.00 -0.41 0.00 0.00 54.97 55.22 1kfq s GLU 534 Cb -0.16 -0.88 0.27 0.00 -1.78 0.00 0.00 34.13 31.58 1kfq s GLU 534 CO 0.16 -0.40 1.54 0.37 -0.49 0.00 0.00 175.26 176.43 1kfq h GLN 535 N 8.41 0.00 0.00 1.61 5.75 -1.91 -1.31 115.11 127.67 1kfq h GLN 535 Ca -0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1kfq h GLN 535 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1kfq h GLN 535 CO 0.20 0.55 -0.80 0.00 -2.65 0.00 0.00 178.83 176.13 1kfq n GLN 536 N -3.41 0.09 -2.64 1.69 -0.00 -1.26 -4.46 117.38 107.40 1kfq n GLN 536 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.58 1kfq n GLN 536 Cb 0.68 -0.90 -0.01 0.00 -0.00 0.00 0.00 30.24 30.01 1kfq n GLN 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1kfq s GLN 537 N -1.80 3.92 0.00 2.61 -0.21 -1.26 -4.76 119.66 118.16 1kfq s GLN 537 Ca 0.00 -1.91 0.26 0.00 0.02 0.00 0.00 55.36 53.73 1kfq s GLN 537 Cb 0.00 -5.42 0.74 0.00 1.00 0.00 0.00 33.01 29.32 1kfq s GLN 537 CO 0.00 -2.17 1.56 0.44 -2.12 0.00 0.00 175.29 173.00 1kfq n ILE 538 N 6.22 0.00 -0.90 1.08 -5.35 -1.26 -4.29 119.36 114.85 1kfq n ILE 538 Ca 0.44 -0.23 0.08 0.00 -0.27 0.00 0.00 62.75 62.76 1kfq n ILE 538 Cb 0.47 0.65 0.36 0.00 -1.74 0.00 0.00 39.64 39.37 1kfq n ILE 538 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kfq n GLN 539 N -0.03 4.26 -2.07 6.28 6.02 -1.26 -5.00 117.38 125.57 1kfq n GLN 539 Ca 0.15 -3.05 -0.32 0.00 -0.01 0.00 0.00 57.00 53.77 1kfq n GLN 539 Cb 0.39 -2.12 -0.00 0.00 1.02 0.00 0.00 30.24 29.53 1kfq n GLN 539 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1kfq s HIS 540 N -2.70 3.37 0.08 1.08 3.76 -1.26 -5.03 115.29 114.59 1kfq s HIS 540 Ca 0.51 1.42 -0.23 0.00 -0.15 0.00 0.00 55.06 56.61 1kfq s HIS 540 Cb 0.39 -2.82 -0.07 0.00 1.11 0.00 0.00 32.58 31.19 1kfq s HIS 540 CO 0.15 -0.71 0.69 -2.00 -0.85 0.00 0.00 174.74 172.02 1kfq s GLU 541 N -4.52 4.42 0.20 1.40 2.12 -1.26 -4.93 118.70 116.13 1kfq s GLU 541 Ca 0.59 0.96 -0.23 0.00 0.36 0.00 0.00 54.97 56.64 1kfq s GLU 541 Cb -0.12 -3.30 0.11 0.00 0.26 0.00 0.00 34.13 31.09 1kfq s GLU 541 CO 0.42 0.48 1.55 1.15 -0.54 0.00 0.00 175.26 178.32 1kfq h THR 542 N 3.72 0.02 -0.61 -1.70 2.02 -1.97 -1.46 112.91 112.94 1kfq h THR 542 Ca -0.47 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.84 1kfq h THR 542 Cb 1.21 0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 67.52 1kfq h THR 542 CO 0.67 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 176.39 1kfq h ALA 543 N 0.98 0.35 0.24 6.16 0.00 -1.98 -1.35 119.26 123.67 1kfq h ALA 543 Ca 0.26 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1kfq h ALA 543 Cb 0.54 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1kfq h ALA 543 CO -0.90 -0.45 -0.27 1.15 0.00 0.00 0.00 179.25 178.77 1kfq h THR 544 N -0.02 0.42 -0.39 0.00 2.02 -1.68 -0.44 112.91 112.81 1kfq h THR 544 Ca 0.29 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.52 1kfq h THR 544 Cb 0.46 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1kfq h THR 544 CO -0.64 0.00 0.13 0.00 0.37 0.00 0.00 175.52 175.38 1kfq h ALA 545 N 0.08 0.46 0.00 6.16 0.00 -0.89 -2.42 119.26 122.65 1kfq h ALA 545 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kfq h ALA 545 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1kfq h ALA 545 CO -0.08 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.18 1kfq n LEU 546 N -5.03 0.00 -0.16 0.00 4.77 -0.57 -4.38 117.00 111.64 1kfq n LEU 546 Ca 0.02 0.50 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 1kfq n LEU 546 Cb 0.15 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 1kfq n LEU 546 CO 0.26 -0.01 0.49 0.00 -1.33 0.00 0.00 177.39 176.80 1kfq h ALA 547 N 2.97 -0.22 0.03 -1.18 0.00 -0.54 0.15 119.26 120.46 1kfq h ALA 547 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kfq h ALA 547 Cb 0.49 1.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1kfq h ALA 547 CO 0.00 -0.39 -0.13 -0.91 0.00 0.00 0.00 179.25 177.82 1kfq h ASN 548 N -0.01 -0.39 -0.69 0.00 -0.26 -1.79 -1.31 115.58 111.14 1kfq h ASN 548 Ca 0.06 0.04 0.20 0.00 -0.56 0.00 0.00 56.30 56.04 1kfq h ASN 548 Cb 0.16 0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.54 1kfq h ASN 548 CO -0.36 -0.14 0.57 -0.29 -1.06 0.00 0.00 177.43 176.15 1kfq h ILE 549 N -0.18 0.48 -0.04 2.81 2.10 -1.81 0.95 117.51 121.82 1kfq h ILE 549 Ca -0.00 0.00 -0.22 0.00 1.08 0.00 0.00 64.86 65.72 1kfq h ILE 549 Cb 0.19 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 1kfq h ILE 549 CO -0.07 0.00 -0.88 0.40 -1.08 0.00 0.00 178.15 176.52 1kfq h ILE 550 N 0.00 1.37 -0.65 2.19 2.04 -0.47 -0.83 117.51 121.15 1kfq h ILE 550 Ca 0.33 -2.28 -0.07 0.00 1.00 0.00 0.00 64.86 63.84 1kfq h ILE 550 Cb 1.46 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 39.79 1kfq h ILE 550 CO -0.00 0.69 0.15 0.50 0.00 0.00 0.00 178.15 179.48 1kfq h LYS 551 N 0.30 1.05 0.22 2.37 3.64 0.31 -2.17 116.57 122.28 1kfq h LYS 551 Ca -0.07 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1kfq h LYS 551 Cb 1.50 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1kfq h LYS 551 CO 0.16 0.95 -0.10 1.25 -2.27 0.00 0.00 179.45 179.43 1kfq h LEU 552 N 0.97 -0.25 -1.88 5.20 5.85 -1.27 -2.53 115.31 121.41 1kfq h LEU 552 Ca 0.20 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1kfq h LEU 552 Cb 0.38 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1kfq h LEU 552 CO 0.00 -0.00 0.29 1.23 -0.34 0.00 0.00 178.44 179.62 1kfq h GLY 553 N -0.49 0.19 1.15 3.75 0.00 -1.05 -0.39 103.07 106.23 1kfq h GLY 553 Ca -0.03 -0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 1kfq h GLY 553 CO 0.05 0.04 -0.91 1.41 0.00 0.00 0.00 176.54 177.12 1kfq h LEU 554 N 0.13 0.89 -0.47 3.11 3.38 -1.31 -2.98 115.31 118.07 1kfq h LEU 554 Ca 0.19 -0.70 -0.14 0.00 0.09 0.00 0.00 57.88 57.32 1kfq h LEU 554 Cb 0.60 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1kfq h LEU 554 CO -0.02 1.47 -0.29 -0.33 0.09 0.00 0.00 178.44 179.36 1kfq h GLU 555 N 0.40 0.96 -0.29 1.13 5.08 -0.88 0.12 114.58 121.09 1kfq h GLU 555 Ca -0.10 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 1kfq h GLU 555 Cb 1.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 1kfq h GLU 555 CO 0.18 1.11 0.10 0.82 -1.00 0.00 0.00 179.01 180.23 1kfq h ILE 556 N 0.81 1.19 0.00 3.13 2.04 -1.18 -3.14 117.51 120.35 1kfq h ILE 556 Ca 0.09 -0.60 -0.21 0.00 1.00 0.00 0.00 64.86 65.14 1kfq h ILE 556 Cb 0.87 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1kfq h ILE 556 CO 0.08 0.20 -1.07 0.77 0.00 0.00 0.00 178.15 178.13 1kfq h SER 557 N 0.32 0.00 -4.05 1.72 4.64 -1.54 -3.44 113.55 111.19 1kfq h SER 557 Ca 0.10 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.01 1kfq h SER 557 Cb 0.21 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1kfq h SER 557 CO -0.01 0.91 -0.59 -0.67 -0.87 0.00 0.00 176.83 175.61 1kfq n ASP 558 N -3.26 -6.07 -0.22 4.97 4.64 0.41 -4.85 116.55 112.18 1kfq n ASP 558 Ca -0.03 -0.21 0.23 0.00 -1.38 0.00 0.00 54.79 53.40 1kfq n ASP 558 Cb 0.93 -4.94 0.59 0.00 -1.04 0.00 0.00 41.12 36.65 1kfq n ASP 558 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 1kfq h ILE 559 N -0.98 0.63 -0.58 5.18 2.10 -1.90 -2.34 117.51 119.63 1kfq h ILE 559 Ca -0.52 -0.09 0.06 0.00 1.08 0.00 0.00 64.86 65.39 1kfq h ILE 559 Cb 1.37 0.35 -0.05 0.00 -1.09 0.00 0.00 36.82 37.40 1kfq h ILE 559 CO 0.58 0.05 0.28 0.00 -1.08 0.00 0.00 178.15 177.98 1kfq h ALA 560 N 1.60 0.75 0.00 0.18 0.00 -1.85 -1.34 119.26 118.60 1kfq h ALA 560 Ca 0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1kfq h ALA 560 Cb 1.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1kfq h ALA 560 CO -0.12 -0.07 -0.83 -0.56 0.00 0.00 0.00 179.25 177.67 1kfq h GLN 561 N 0.54 0.00 0.00 0.00 -0.00 -1.72 -1.87 115.11 112.06 1kfq h GLN 561 Ca 0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.73 1kfq h GLN 561 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.66 1kfq h GLN 561 CO -0.20 0.00 -0.90 0.74 -0.00 0.00 0.00 178.83 178.48 1kfq h PHE 562 N 0.00 0.00 0.00 0.06 -1.00 -1.29 -3.38 116.94 111.33 1kfq h PHE 562 Ca 0.00 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.53 1kfq h PHE 562 Cb 0.98 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 1kfq h PHE 562 CO 0.00 0.90 -1.95 2.41 -1.61 0.00 0.00 178.31 178.06 1kfq n THR 563 N -3.38 0.95 -0.12 -1.55 -1.04 -0.52 -4.56 114.28 104.05 1kfq n THR 563 Ca 0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 1kfq n THR 563 Cb 0.88 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1kfq n THR 563 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kfq n GLY 564 N 2.25 0.55 3.60 3.41 0.00 -0.70 -4.76 105.19 109.53 1kfq n GLY 564 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1kfq n GLY 564 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfq s ARG 565 N -0.85 3.96 -0.22 1.61 1.81 -1.22 -4.94 118.95 119.10 1kfq s ARG 565 Ca 0.00 -0.32 0.15 0.00 -1.72 0.00 0.00 55.73 53.84 1kfq s ARG 565 Cb 0.00 -3.63 0.76 0.00 -0.45 0.00 0.00 34.95 31.63 1kfq s ARG 565 CO 0.00 -0.14 1.68 0.27 -0.68 0.00 0.00 175.30 176.43 1kfq n ASN 566 N 4.92 5.30 -3.55 0.23 0.23 -1.26 -4.03 115.26 117.09 1kfq n ASN 566 Ca -0.14 -2.91 -0.15 0.00 -0.53 0.00 0.00 54.58 50.86 1kfq n ASN 566 Cb 0.52 -0.65 -0.06 0.00 -2.08 0.00 0.00 39.78 37.51 1kfq n ASN 566 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1kfq s GLU 567 N -2.70 0.84 0.75 -3.83 0.41 -1.26 -5.08 118.70 107.83 1kfq s GLU 567 Ca 0.52 0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 55.21 1kfq s GLU 567 Cb 0.39 0.40 0.04 0.00 -1.78 0.00 0.00 34.13 33.18 1kfq s GLU 567 CO 0.15 -0.25 1.10 -1.25 -0.49 0.00 0.00 175.26 174.52 1kfq s PRO 568 N -1.05 2.49 0.09 0.39 0.04 -1.26 -4.97 135.00 130.73 1kfq s PRO 568 Ca -0.06 0.52 -0.04 0.00 0.04 0.00 0.00 61.00 61.46 1kfq s PRO 568 Cb -0.01 -1.97 -0.22 0.00 0.04 0.00 0.00 34.50 32.34 1kfq s PRO 568 CO 0.06 -1.31 1.20 1.15 0.04 0.00 0.00 177.00 178.14 1kfq h THR 569 N -0.86 1.48 -3.20 1.26 2.02 0.76 -3.46 112.91 110.90 1kfq h THR 569 Ca -0.46 -2.89 -0.17 0.00 0.77 0.00 0.00 66.41 63.67 1kfq h THR 569 Cb 1.26 2.79 -0.25 0.00 -1.74 0.00 0.00 68.15 70.21 1kfq h THR 569 CO 0.62 0.85 -0.45 -0.69 0.37 0.00 0.00 175.52 176.22 1kfq s VAL 570 N -2.84 0.01 -0.14 3.16 1.01 -0.87 -4.97 120.40 115.76 1kfq s VAL 570 Ca -0.04 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1kfq s VAL 570 Cb 0.08 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.13 1kfq s VAL 570 CO 0.88 -0.03 -0.20 -0.63 0.00 0.00 0.00 175.10 175.12 1kfq s ILE 571 N -0.02 1.92 0.00 2.22 1.01 -1.26 -0.37 121.20 124.70 1kfq s ILE 571 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1kfq s ILE 571 Cb -0.02 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1kfq s ILE 571 CO 0.01 0.52 0.25 0.41 0.00 0.00 0.00 174.94 176.12