#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4k n VAL 2 N 0.00 0.00 -1.66 1.69 0.31 -1.26 -4.91 118.33 112.50 1a4k n VAL 2 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.87 1a4k n VAL 2 Cb 0.00 -0.45 -0.04 0.00 -0.91 0.00 0.00 33.84 32.44 1a4k n VAL 2 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1a4k n GLN 3 N -1.55 1.96 -4.89 5.55 7.27 -1.26 -4.83 117.38 119.62 1a4k n GLN 3 Ca 0.00 0.70 -0.29 0.00 0.07 0.00 0.00 57.00 57.49 1a4k n GLN 3 Cb 0.09 -2.41 -0.17 0.00 2.41 0.00 0.00 30.24 30.15 1a4k n GLN 3 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1a4k s LEU 4 N 0.61 1.87 -0.37 1.69 1.43 -1.26 -1.16 118.68 121.49 1a4k s LEU 4 Ca 0.76 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1a4k s LEU 4 Cb -0.71 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 44.41 1a4k s LEU 4 CO 0.43 0.09 0.19 -0.22 0.23 0.00 0.00 176.35 177.07 1a4k s LEU 5 N 0.52 4.68 0.31 1.79 0.20 0.69 -4.74 118.68 122.14 1a4k s LEU 5 Ca -0.16 -1.09 -0.08 0.00 0.69 0.00 0.00 54.13 53.50 1a4k s LEU 5 Cb -0.17 -1.99 -0.06 0.00 -0.43 0.00 0.00 46.19 43.55 1a4k s LEU 5 CO 0.06 -0.39 0.62 -1.61 -0.29 0.00 0.00 176.35 174.73 1a4k s GLU 6 N 1.51 3.72 0.63 1.98 0.41 -1.26 -0.26 118.70 125.42 1a4k s GLU 6 Ca 0.01 0.20 -0.09 0.00 -0.41 0.00 0.00 54.97 54.68 1a4k s GLU 6 Cb -0.20 -2.57 -0.00 0.00 -1.78 0.00 0.00 34.13 29.58 1a4k s GLU 6 CO 0.05 0.17 0.99 -1.54 -0.49 0.00 0.00 175.26 174.44 1a4k s SER 7 N -2.98 5.72 1.08 -0.19 1.04 -0.96 -4.97 113.70 112.44 1a4k s SER 7 Ca 0.47 1.04 -0.12 0.00 0.48 0.00 0.00 55.95 57.81 1a4k s SER 7 Cb -0.11 -2.00 0.23 0.00 0.10 0.00 0.00 66.02 64.25 1a4k s SER 7 CO 0.28 -1.09 1.06 -0.83 0.98 0.00 0.00 173.24 173.64 1a4k s GLY 8 N -4.28 1.56 0.52 7.32 0.00 -1.26 -4.69 107.32 106.49 1a4k s GLY 8 Ca 0.55 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 1a4k s GLY 8 CO 0.49 0.45 1.37 2.56 0.00 0.00 0.00 173.10 177.98 1a4k s PRO 9 N -4.70 3.30 -0.02 2.90 0.04 -1.26 -4.75 135.00 130.50 1a4k s PRO 9 Ca 0.67 2.28 0.05 0.00 0.04 0.00 0.00 61.00 64.04 1a4k s PRO 9 Cb -0.22 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 1a4k s PRO 9 CO 0.61 -1.07 -0.18 -1.21 0.04 0.00 0.00 177.00 175.19 1a4k s GLU 10 N -2.78 1.60 -0.09 4.56 0.41 -0.12 -4.99 118.70 117.29 1a4k s GLU 10 Ca 0.68 -0.64 0.04 0.00 -0.41 0.00 0.00 54.97 54.64 1a4k s GLU 10 Cb -0.41 -1.48 -0.00 0.00 -1.78 0.00 0.00 34.13 30.45 1a4k s GLU 10 CO 0.50 0.35 -0.24 -1.17 -0.49 0.00 0.00 175.26 174.21 1a4k s LEU 11 N -0.28 2.08 0.10 1.80 0.20 -1.26 -0.57 118.68 120.75 1a4k s LEU 11 Ca 0.03 -0.55 -0.16 0.00 0.69 0.00 0.00 54.13 54.14 1a4k s LEU 11 Cb -0.09 -1.39 0.03 0.00 -0.43 0.00 0.00 46.19 44.32 1a4k s LEU 11 CO 0.00 0.17 0.40 -0.54 -0.29 0.00 0.00 176.35 176.09 1a4k s LYS 12 N 0.27 1.02 0.31 1.98 1.02 -0.22 -4.98 119.74 119.13 1a4k s LYS 12 Ca -0.17 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 1a4k s LYS 12 Cb -0.17 0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 1a4k s LYS 12 CO 0.08 -0.38 0.52 0.15 -0.92 0.00 0.00 175.35 174.80 1a4k s LYS 13 N -3.42 3.52 0.60 1.68 1.02 -1.25 -0.07 119.74 121.81 1a4k s LYS 13 Ca 0.01 -0.28 -0.18 0.00 0.02 0.00 0.00 55.97 55.53 1a4k s LYS 13 Cb 0.01 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.57 1a4k s LYS 13 CO -0.09 0.21 0.77 -2.30 -0.92 0.00 0.00 175.35 173.02 1a4k n PRO 14 N -1.43 0.70 -0.06 -1.68 -0.02 -1.26 -2.72 135.00 128.53 1a4k n PRO 14 Ca -0.04 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1a4k n PRO 14 Cb 0.55 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1a4k n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4k n GLY 15 N 1.50 2.66 0.00 -1.23 0.00 0.18 -4.86 105.19 103.45 1a4k n GLY 15 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1a4k n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a4k n GLU 16 N -2.00 0.97 -3.94 1.61 1.02 -1.10 -3.95 120.64 113.25 1a4k n GLU 16 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1a4k n GLU 16 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1a4k n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1a4k s THR 17 N 0.07 0.10 0.23 2.62 2.01 -1.26 -1.41 115.64 118.00 1a4k s THR 17 Ca 0.00 -0.19 0.11 0.00 0.31 0.00 0.00 61.69 61.92 1a4k s THR 17 Cb 0.00 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.35 1a4k s THR 17 CO 0.00 -0.06 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.97 1a4k s VAL 18 N -0.26 2.32 -0.21 3.82 1.01 -0.33 -4.99 120.40 121.77 1a4k s VAL 18 Ca -0.02 -2.22 -0.04 0.00 0.00 0.00 0.00 61.98 59.70 1a4k s VAL 18 Cb -0.02 -2.18 0.09 0.00 0.00 0.00 0.00 36.38 34.27 1a4k s VAL 18 CO -0.00 -0.31 0.20 -0.75 0.00 0.00 0.00 175.10 174.24 1a4k s LYS 19 N -3.16 0.18 0.07 2.72 2.20 -1.26 -1.62 119.74 118.87 1a4k s LYS 19 Ca 0.25 0.08 -0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1a4k s LYS 19 Cb -0.06 -1.26 -0.05 0.00 -1.51 0.00 0.00 37.83 34.95 1a4k s LYS 19 CO 0.12 -0.71 0.30 0.42 -0.36 0.00 0.00 175.35 175.11 1a4k s ILE 20 N 2.28 5.26 0.31 5.43 1.01 0.65 -4.90 121.20 131.25 1a4k s ILE 20 Ca 0.06 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.82 1a4k s ILE 20 Cb -0.16 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 1a4k s ILE 20 CO -0.15 0.21 -0.06 -0.94 0.00 0.00 0.00 174.94 174.00 1a4k s SER 21 N -2.11 3.13 -0.26 3.58 1.04 -1.26 -0.15 113.70 117.68 1a4k s SER 21 Ca 0.34 -1.22 -0.03 0.00 0.48 0.00 0.00 55.95 55.52 1a4k s SER 21 Cb -0.13 -0.24 0.15 0.00 0.10 0.00 0.00 66.02 65.90 1a4k s SER 21 CO 0.21 -0.32 0.45 0.00 0.98 0.00 0.00 173.24 174.56 1a4k s LYS 23 N 2.65 3.79 0.09 0.00 2.20 0.64 -1.38 119.74 127.74 1a4k s LYS 23 Ca 0.14 -0.00 -0.17 0.00 -0.36 0.00 0.00 55.97 55.57 1a4k s LYS 23 Cb -0.15 -3.75 -0.07 0.00 -1.51 0.00 0.00 37.83 32.36 1a4k s LYS 23 CO -0.17 -0.52 0.54 0.00 -0.36 0.00 0.00 175.35 174.84 1a4k s ALA 24 N 2.33 3.60 1.18 3.13 0.00 0.95 -0.22 121.76 132.72 1a4k s ALA 24 Ca 0.19 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1a4k s ALA 24 Cb -0.16 -2.57 0.21 0.00 0.00 0.00 0.00 23.12 20.61 1a4k s ALA 24 CO 0.12 0.43 0.51 -1.13 0.00 0.00 0.00 175.76 175.68 1a4k n SER 25 N 1.46 -2.26 -4.83 0.00 3.41 -0.31 -4.68 113.62 106.41 1a4k n SER 25 Ca -0.09 -0.21 -0.32 0.00 -0.26 0.00 0.00 58.87 57.99 1a4k n SER 25 Cb 0.51 -1.08 0.01 0.00 -0.26 0.00 0.00 64.21 63.39 1a4k n SER 25 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a4k s GLY 26 N -2.14 1.88 -1.04 5.00 0.00 -1.26 -2.79 107.32 106.98 1a4k s GLY 26 Ca 0.62 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.49 1a4k s GLY 26 CO 0.65 0.44 0.00 -1.72 0.00 0.00 0.00 173.10 172.47 1a4k n TYR 27 N -2.39 0.00 0.00 1.90 4.01 -1.26 -4.66 117.16 114.76 1a4k n TYR 27 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1a4k n TYR 27 Cb 0.54 -2.50 0.00 0.00 -0.31 0.00 0.00 39.34 37.07 1a4k n TYR 27 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1a4k n THR 28 N -2.29 0.00 -0.32 -0.72 5.66 -1.19 -4.84 114.28 110.58 1a4k n THR 28 Ca -0.10 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.85 1a4k n THR 28 Cb 0.53 -0.31 -0.01 0.00 -1.55 0.00 0.00 70.33 68.99 1a4k n THR 28 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1a4k h PHE 29 N 0.00 -1.28 -0.43 1.09 3.57 -1.79 -1.35 116.94 116.75 1a4k h PHE 29 Ca 0.00 0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1a4k h PHE 29 Cb 0.60 0.68 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1a4k h PHE 29 CO 0.00 -0.40 0.04 0.25 -2.23 0.00 0.00 178.31 175.96 1a4k n THR 30 N -5.41 2.01 -0.09 4.41 -2.24 -1.26 -3.92 114.28 107.77 1a4k n THR 30 Ca 0.05 -1.02 0.04 0.00 -2.27 0.00 0.00 64.05 60.86 1a4k n THR 30 Cb 0.35 -0.37 0.11 0.00 -2.10 0.00 0.00 70.33 68.32 1a4k n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a4k n ASN 31 N 0.35 2.60 -3.70 3.42 5.03 -0.51 -4.93 115.26 117.53 1a4k n ASN 31 Ca 0.21 -1.95 -0.10 0.00 0.87 0.00 0.00 54.58 53.62 1a4k n ASN 31 Cb 0.96 -0.16 -0.04 0.00 -1.02 0.00 0.00 39.78 39.52 1a4k n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1a4k s TYR 32 N -0.97 -0.13 -0.14 3.10 2.02 -1.24 -4.85 117.35 115.14 1a4k s TYR 32 Ca 0.16 -0.20 -0.08 0.00 -0.37 0.00 0.00 57.07 56.58 1a4k s TYR 32 Cb 0.09 0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.90 1a4k s TYR 32 CO 0.12 -0.80 0.14 0.20 -1.57 0.00 0.00 175.55 173.64 1a4k s GLY 33 N -2.85 2.13 -0.39 0.71 0.00 -0.58 -4.50 107.32 101.85 1a4k s GLY 33 Ca 0.07 -0.64 -0.20 0.00 0.00 0.00 0.00 44.72 43.95 1a4k s GLY 33 CO -0.07 -0.22 0.59 1.06 0.00 0.00 0.00 173.10 174.46 1a4k s MET 34 N -0.62 3.46 0.09 2.90 -1.94 -0.95 -1.42 119.30 120.82 1a4k s MET 34 Ca 0.13 -0.24 0.02 0.00 -1.71 0.00 0.00 55.69 53.89 1a4k s MET 34 Cb -0.12 -3.88 -0.04 0.00 2.01 0.00 0.00 34.83 32.81 1a4k s MET 34 CO 0.02 -0.82 0.15 -0.80 -0.01 0.00 0.00 175.02 173.56 1a4k s ASN 35 N 1.86 5.91 -0.17 3.03 0.01 0.11 -0.16 114.94 125.53 1a4k s ASN 35 Ca 0.21 0.10 0.01 0.00 -0.71 0.00 0.00 52.86 52.47 1a4k s ASN 35 Cb -0.15 -1.69 0.02 0.00 0.41 0.00 0.00 41.25 39.84 1a4k s ASN 35 CO 0.16 0.15 -0.20 0.26 -1.51 0.00 0.00 177.10 175.96 1a4k s TRP 36 N -1.50 2.72 -0.07 2.20 0.52 -0.65 0.06 118.94 122.22 1a4k s TRP 36 Ca 0.32 -1.58 0.03 0.00 0.02 0.00 0.00 56.10 54.89 1a4k s TRP 36 Cb -0.12 -1.88 0.00 0.00 -1.15 0.00 0.00 33.47 30.32 1a4k s TRP 36 CO 0.25 -0.78 -0.18 0.54 0.02 0.00 0.00 176.95 176.80 1a4k s VAL 37 N 1.25 1.58 0.10 4.03 0.11 -0.83 0.03 120.40 126.65 1a4k s VAL 37 Ca 0.04 -0.75 -0.12 0.00 -2.93 0.00 0.00 61.98 58.21 1a4k s VAL 37 Cb -0.13 -1.38 -0.06 0.00 -1.53 0.00 0.00 36.38 33.27 1a4k s VAL 37 CO -0.12 0.45 0.46 -0.75 -3.33 0.00 0.00 175.10 171.82 1a4k s LYS 38 N 0.40 3.88 -0.37 1.54 2.20 0.90 -1.39 119.74 126.89 1a4k s LYS 38 Ca -0.14 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.82 1a4k s LYS 38 Cb -0.16 -3.01 0.14 0.00 -1.51 0.00 0.00 37.83 33.30 1a4k s LYS 38 CO 0.05 0.55 0.24 -1.14 -0.36 0.00 0.00 175.35 174.69 1a4k s GLN 39 N -1.81 0.67 0.62 4.03 0.74 -0.32 -0.70 119.66 122.90 1a4k s GLN 39 Ca 0.34 -1.52 -0.17 0.00 0.05 0.00 0.00 55.36 54.05 1a4k s GLN 39 Cb -0.15 -1.41 -0.02 0.00 1.10 0.00 0.00 33.01 32.53 1a4k s GLN 39 CO 0.18 -1.24 1.16 0.00 -0.55 0.00 0.00 175.29 174.84 1a4k s ALA 40 N 0.83 2.49 -0.47 1.58 0.00 -1.26 -1.97 121.76 122.97 1a4k s ALA 40 Ca 0.21 0.82 -0.45 0.00 0.00 0.00 0.00 51.96 52.53 1a4k s ALA 40 Cb -0.18 -3.40 -0.19 0.00 0.00 0.00 0.00 23.12 19.35 1a4k s ALA 40 CO -0.03 -1.21 1.81 -0.35 0.00 0.00 0.00 175.76 175.98 1a4k n PRO 41 N -1.93 0.19 -3.36 0.00 -0.04 -1.26 -0.30 135.00 128.29 1a4k n PRO 41 Ca 0.12 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 1a4k n PRO 41 Cb 0.51 -1.62 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1a4k n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a4k n GLY 42 N 5.19 -0.53 3.23 0.55 0.00 -1.26 -4.99 105.19 107.38 1a4k n GLY 42 Ca 0.38 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 1a4k n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4k s LYS 43 N -6.06 1.06 0.81 1.61 -0.14 0.59 -5.16 119.74 112.45 1a4k s LYS 43 Ca 0.46 -1.49 -0.12 0.00 -1.36 0.00 0.00 55.97 53.46 1a4k s LYS 43 Cb -0.21 -0.30 0.08 0.00 -1.68 0.00 0.00 37.83 35.72 1a4k s LYS 43 CO 0.57 -0.09 1.11 0.20 -0.76 0.00 0.00 175.35 176.38 1a4k s GLY 44 N -3.15 1.61 0.42 -3.33 0.00 -1.26 -4.48 107.32 97.13 1a4k s GLY 44 Ca 0.21 -0.32 -0.25 0.00 0.00 0.00 0.00 44.72 44.36 1a4k s GLY 44 CO 0.02 0.13 1.22 1.08 0.00 0.00 0.00 173.10 175.55 1a4k s LEU 45 N -5.78 4.15 -0.06 0.66 1.43 -1.26 -4.46 118.68 113.36 1a4k s LEU 45 Ca 0.61 2.46 -0.02 0.00 -1.03 0.00 0.00 54.13 56.15 1a4k s LEU 45 Cb -0.14 -4.04 0.03 0.00 0.03 0.00 0.00 46.19 42.07 1a4k s LEU 45 CO 0.53 -0.83 0.03 -0.54 0.23 0.00 0.00 176.35 175.78 1a4k s LYS 46 N -2.39 0.23 0.08 1.70 3.01 0.12 -4.96 119.74 117.53 1a4k s LYS 46 Ca 0.59 0.24 -0.31 0.00 -1.01 0.00 0.00 55.97 55.49 1a4k s LYS 46 Cb -0.33 -0.76 -0.07 0.00 -1.01 0.00 0.00 37.83 35.67 1a4k s LYS 46 CO 0.41 -0.33 1.31 -0.46 0.51 0.00 0.00 175.35 176.79 1a4k s TRP 47 N 2.08 3.28 -0.41 3.18 -0.00 -1.26 -0.07 118.94 125.74 1a4k s TRP 47 Ca 0.05 1.09 0.21 0.00 -0.00 0.00 0.00 56.10 57.45 1a4k s TRP 47 Cb -0.12 -3.56 -0.29 0.00 -0.00 0.00 0.00 33.47 29.50 1a4k s TRP 47 CO -0.04 -1.90 0.63 -1.33 -0.00 0.00 0.00 176.95 174.31 1a4k n MET 48 N 4.12 0.46 0.00 5.86 2.81 0.10 -4.79 117.12 125.68 1a4k n MET 48 Ca 0.11 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1a4k n MET 48 Cb 0.44 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1a4k n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a4k n GLY 49 N 1.37 0.68 3.81 3.03 0.00 -1.23 -0.81 105.19 112.05 1a4k n GLY 49 Ca -0.01 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 1a4k n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1a4k s TRP 50 N -1.12 -0.08 -0.04 1.61 1.48 0.13 -1.63 118.94 119.28 1a4k s TRP 50 Ca 0.00 -0.37 0.03 0.00 -1.06 0.00 0.00 56.10 54.70 1a4k s TRP 50 Cb 0.00 0.62 0.00 0.00 -1.16 0.00 0.00 33.47 32.94 1a4k s TRP 50 CO 0.00 -1.21 -0.14 -1.50 -4.06 0.00 0.00 176.95 170.04 1a4k s ILE 51 N -3.87 1.16 -0.19 0.66 2.07 0.78 0.06 121.20 121.87 1a4k s ILE 51 Ca 0.13 -0.56 -0.29 0.00 -1.41 0.00 0.00 60.65 58.52 1a4k s ILE 51 Cb -0.05 -1.01 -0.01 0.00 0.13 0.00 0.00 42.46 41.51 1a4k s ILE 51 CO 0.08 0.34 1.34 0.21 -1.91 0.00 0.00 174.94 175.00 1a4k s ASN 52 N 0.15 6.81 0.00 4.50 3.04 -0.24 -2.24 114.94 126.95 1a4k s ASN 52 Ca -0.04 1.62 0.29 0.00 0.04 0.00 0.00 52.86 54.77 1a4k s ASN 52 Cb -0.11 -2.54 1.35 0.00 -1.54 0.00 0.00 41.25 38.41 1a4k s ASN 52 CO 0.02 -0.90 1.91 0.35 -3.04 0.00 0.00 177.10 175.45 1a4k n THR 1052N 5.67 0.00 -0.12 -5.21 -2.24 -1.26 -0.49 114.28 110.63 1a4k n THR 1052Ca 0.15 -0.13 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 1a4k n THR 1052Cb 0.45 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 1a4k n THR 1052CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a4k n TYR 53 N -0.41 0.00 -0.05 4.78 9.36 -1.26 -4.69 117.16 124.89 1a4k n TYR 53 Ca 0.20 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.41 1a4k n TYR 53 Cb 0.26 -0.90 -0.15 0.00 -0.63 0.00 0.00 39.34 37.93 1a4k n TYR 53 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1a4k n THR 54 N -3.63 0.68 -0.44 2.97 -1.04 -1.25 -5.01 114.28 106.55 1a4k n THR 54 Ca -0.45 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 60.94 1a4k n THR 54 Cb 0.90 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1a4k n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a4k n GLY 55 N 1.68 0.76 3.66 3.41 0.00 0.36 -5.04 105.19 110.02 1a4k n GLY 55 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1a4k n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4k s GLU 56 N -0.56 4.26 0.09 1.61 0.41 -1.24 -4.68 118.70 118.60 1a4k s GLU 56 Ca 0.00 1.47 -0.17 0.00 -0.41 0.00 0.00 54.97 55.86 1a4k s GLU 56 Cb 0.00 -3.68 -0.07 0.00 -1.78 0.00 0.00 34.13 28.61 1a4k s GLU 56 CO 0.00 -0.64 0.55 -1.25 -0.49 0.00 0.00 175.26 173.42 1a4k s PRO 57 N 3.24 4.10 -0.15 0.39 0.04 -1.26 -1.08 135.00 140.28 1a4k s PRO 57 Ca 0.48 0.62 0.01 0.00 0.04 0.00 0.00 61.00 62.15 1a4k s PRO 57 Cb -0.18 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.25 1a4k s PRO 57 CO 0.10 0.59 -0.15 0.99 0.04 0.00 0.00 177.00 178.57 1a4k s THR 58 N -1.22 1.60 -0.10 1.26 2.01 0.11 -4.99 115.64 114.30 1a4k s THR 58 Ca 0.31 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 1a4k s THR 58 Cb -0.18 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1a4k s THR 58 CO 0.18 0.46 0.04 -0.31 -0.69 0.00 0.00 174.62 174.31 1a4k s TYR 59 N 1.41 3.28 0.52 4.92 2.02 -1.26 -0.69 117.35 127.54 1a4k s TYR 59 Ca 0.04 0.27 -0.21 0.00 -0.37 0.00 0.00 57.07 56.79 1a4k s TYR 59 Cb -0.13 -1.85 -0.06 0.00 -0.40 0.00 0.00 41.96 39.52 1a4k s TYR 59 CO -0.10 0.51 1.17 0.00 -1.57 0.00 0.00 175.55 175.56 1a4k s ALA 60 N -0.82 2.79 0.40 3.71 0.00 0.01 -4.92 121.76 122.93 1a4k s ALA 60 Ca 0.13 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.08 1a4k s ALA 60 Cb -0.12 -3.39 0.83 0.00 0.00 0.00 0.00 23.12 20.44 1a4k s ALA 60 CO 0.03 -0.81 2.05 -0.44 0.00 0.00 0.00 175.76 176.58 1a4k h ASP 61 N 1.51 0.51 0.00 0.00 3.32 -1.93 0.71 116.42 120.54 1a4k h ASP 61 Ca -0.50 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1a4k h ASP 61 Cb 1.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1a4k h ASP 61 CO 0.58 0.37 0.00 0.47 -1.72 0.00 0.00 179.24 178.94 1a4k n ASP 62 N -4.47 0.00 -2.68 6.45 8.00 -1.26 -3.31 116.55 119.28 1a4k n ASP 62 Ca 0.04 -1.00 -0.05 0.00 0.71 0.00 0.00 54.79 54.49 1a4k n ASP 62 Cb 0.07 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1a4k n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1a4k n PHE 63 N -0.73 1.55 -3.67 1.24 3.72 0.24 -5.06 117.46 114.76 1a4k n PHE 63 Ca 0.07 -2.21 -0.38 0.00 -0.05 0.00 0.00 57.45 54.88 1a4k n PHE 63 Cb 0.03 -0.26 -0.12 0.00 -0.94 0.00 0.00 39.48 38.20 1a4k n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1a4k s LYS 64 N -3.73 3.32 0.00 -1.08 -0.14 -1.21 -4.41 119.74 112.49 1a4k s LYS 64 Ca 0.32 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 54.20 1a4k s LYS 64 Cb 0.35 -3.54 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 1a4k s LYS 64 CO -0.02 -0.41 0.00 0.41 -0.76 0.00 0.00 175.35 174.56 1a4k n GLY 65 N 4.97 2.03 0.02 -3.33 0.00 -1.26 -4.91 105.19 102.71 1a4k n GLY 65 Ca -0.14 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1a4k n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4k n ARG 66 N 0.00 0.26 -3.80 1.61 1.74 -1.26 -4.93 116.66 110.29 1a4k n ARG 66 Ca 0.00 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.70 1a4k n ARG 66 Cb 0.00 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.83 1a4k n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1a4k s PHE 67 N -3.19 3.59 -0.13 -1.55 0.40 -1.26 -1.82 117.98 114.02 1a4k s PHE 67 Ca 0.03 0.56 -0.06 0.00 -0.60 0.00 0.00 56.93 56.86 1a4k s PHE 67 Cb 0.15 -1.97 0.06 0.00 0.51 0.00 0.00 43.02 41.77 1a4k s PHE 67 CO 0.83 0.65 0.30 0.00 0.70 0.00 0.00 175.22 177.70 1a4k s ALA 68 N -1.22 -0.71 -0.13 5.36 0.00 -0.58 -4.94 121.76 119.54 1a4k s ALA 68 Ca 0.24 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 53.24 1a4k s ALA 68 Cb -0.13 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 1a4k s ALA 68 CO 0.13 -0.41 0.19 -0.06 0.00 0.00 0.00 175.76 175.62 1a4k s PHE 69 N 1.79 3.56 0.14 0.00 0.08 -1.26 -1.60 117.98 120.70 1a4k s PHE 69 Ca -0.05 0.56 -0.02 0.00 0.12 0.00 0.00 56.93 57.54 1a4k s PHE 69 Cb -0.11 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1a4k s PHE 69 CO -0.10 0.58 0.09 -1.54 -0.10 0.00 0.00 175.22 174.14 1a4k s SER 70 N -0.57 0.27 0.21 1.36 1.04 -0.71 -4.83 113.70 110.46 1a4k s SER 70 Ca 0.15 -1.18 0.08 0.00 0.48 0.00 0.00 55.95 55.47 1a4k s SER 70 Cb -0.13 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 1a4k s SER 70 CO 0.04 -0.75 -0.14 -0.76 0.98 0.00 0.00 173.24 172.61 1a4k s LEU 71 N -3.05 2.55 -0.48 2.42 1.43 -1.26 -0.01 118.68 120.29 1a4k s LEU 71 Ca 0.24 -1.03 0.06 0.00 -1.03 0.00 0.00 54.13 52.37 1a4k s LEU 71 Cb 0.07 -0.66 0.20 0.00 0.03 0.00 0.00 46.19 45.84 1a4k s LEU 71 CO 0.02 -0.19 0.47 1.21 0.23 0.00 0.00 176.35 178.09 1a4k n GLU 72 N -0.39 0.88 -0.36 1.70 0.00 0.15 -4.95 120.64 117.67 1a4k n GLU 72 Ca -0.08 -3.57 -0.07 0.00 0.00 0.00 0.00 57.16 53.44 1a4k n GLU 72 Cb 0.61 -1.70 -0.04 0.00 0.00 0.00 0.00 31.44 30.31 1a4k n GLU 72 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1a4k h THR 73 N 3.62 0.01 -0.17 6.31 2.02 -1.96 0.17 112.91 122.91 1a4k h THR 73 Ca 0.18 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1a4k h THR 73 Cb 0.85 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1a4k h THR 73 CO 0.51 0.00 0.16 0.77 0.37 0.00 0.00 175.52 177.32 1a4k h SER 74 N -0.06 0.00 -0.43 4.18 4.64 -1.96 -1.00 113.55 118.93 1a4k h SER 74 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1a4k h SER 74 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1a4k h SER 74 CO -0.90 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.06 1a4k n ALA 75 N -2.43 2.40 -4.14 5.18 0.00 0.44 -4.96 120.51 117.00 1a4k n ALA 75 Ca 0.01 -1.04 -0.32 0.00 0.00 0.00 0.00 53.44 52.09 1a4k n ALA 75 Cb 0.28 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 1a4k n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a4k n SER 76 N 1.44 -1.81 -4.27 0.00 7.64 -0.22 -4.69 113.62 111.71 1a4k n SER 76 Ca 0.19 -1.04 -0.28 0.00 1.01 0.00 0.00 58.87 58.75 1a4k n SER 76 Cb 0.59 -2.73 -0.15 0.00 -1.01 0.00 0.00 64.21 60.91 1a4k n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1a4k s THR 77 N -3.63 1.84 0.08 0.44 2.01 -0.98 -0.04 115.64 115.37 1a4k s THR 77 Ca 0.41 -1.13 0.08 0.00 0.31 0.00 0.00 61.69 61.36 1a4k s THR 77 Cb -0.22 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1a4k s THR 77 CO 0.92 0.40 -0.19 0.00 -0.69 0.00 0.00 174.62 175.06 1a4k s ALA 78 N -0.67 2.61 0.04 7.40 0.00 -0.48 0.32 121.76 130.99 1a4k s ALA 78 Ca 0.09 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1a4k s ALA 78 Cb -0.09 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 1a4k s ALA 78 CO 0.00 0.58 -0.21 0.71 0.00 0.00 0.00 175.76 176.85 1a4k s TYR 79 N -1.04 1.83 -0.17 0.00 2.02 0.99 -1.27 117.35 119.71 1a4k s TYR 79 Ca 0.16 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1a4k s TYR 79 Cb -0.10 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1a4k s TYR 79 CO 0.08 0.09 -0.15 -1.17 -1.57 0.00 0.00 175.55 172.82 1a4k s LEU 80 N -1.16 2.00 -0.06 -1.29 0.20 0.79 -1.75 118.68 117.42 1a4k s LEU 80 Ca 0.08 -0.64 0.06 0.00 0.69 0.00 0.00 54.13 54.31 1a4k s LEU 80 Cb -0.09 -1.31 -0.01 0.00 -0.43 0.00 0.00 46.19 44.35 1a4k s LEU 80 CO 0.02 -0.06 -0.24 -1.58 -0.29 0.00 0.00 176.35 174.20 1a4k s GLN 81 N 1.39 2.62 -0.13 1.98 0.74 -0.62 -0.25 119.66 125.38 1a4k s GLN 81 Ca 0.03 -0.89 0.01 0.00 0.05 0.00 0.00 55.36 54.56 1a4k s GLN 81 Cb -0.14 -2.20 0.02 0.00 1.10 0.00 0.00 33.01 31.79 1a4k s GLN 81 CO -0.11 0.37 -0.14 0.42 -0.55 0.00 0.00 175.29 175.28 1a4k s ILE 82 N -0.13 1.49 0.37 -2.34 1.01 -0.64 -1.53 121.20 119.43 1a4k s ILE 82 Ca -0.04 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.09 1a4k s ILE 82 Cb -0.14 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1a4k s ILE 82 CO 0.04 0.44 0.24 0.54 0.00 0.00 0.00 174.94 176.20 1a4k s ASN 1082N 1.36 4.84 -1.32 3.58 2.20 -0.76 -1.18 114.94 123.66 1a4k s ASN 1082Ca 0.01 -0.77 -0.01 0.00 -0.94 0.00 0.00 52.86 51.16 1a4k s ASN 1082Cb -0.13 -0.69 -0.00 0.00 -2.00 0.00 0.00 41.25 38.42 1a4k s ASN 1082CO -0.08 -0.44 0.62 0.59 -2.94 0.00 0.00 177.10 174.86 1a4k n ASN 2082N -1.30 -1.18 -4.59 3.54 5.03 -0.61 -4.82 115.26 111.32 1a4k n ASN 2082Ca -0.01 -0.88 -0.37 0.00 0.87 0.00 0.00 54.58 54.19 1a4k n ASN 2082Cb 0.62 -3.74 0.07 0.00 -1.02 0.00 0.00 39.78 35.70 1a4k n ASN 2082CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1a4k n LEU 3082N -4.29 3.16 -4.03 3.41 4.32 -0.50 -4.53 117.00 114.54 1a4k n LEU 3082Ca -0.29 0.72 -0.10 0.00 -0.02 0.00 0.00 56.01 56.32 1a4k n LEU 3082Cb 0.68 -1.36 -0.07 0.00 -1.62 0.00 0.00 43.42 41.04 1a4k n LEU 3082CO 0.70 -2.15 0.01 -1.59 -1.22 0.00 0.00 177.39 173.13 1a4k s LYS 83 N -2.97 1.32 0.27 3.23 -2.85 -1.26 0.51 119.74 117.99 1a4k s LYS 83 Ca 0.74 -1.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1a4k s LYS 83 Cb -0.38 0.39 0.55 0.00 -2.06 0.00 0.00 37.83 36.33 1a4k s LYS 83 CO 0.50 -0.50 1.79 -0.91 0.10 0.00 0.00 175.35 176.32 1a4k h ASN 84 N 2.45 0.67 -0.19 0.03 2.35 -1.97 -0.81 115.58 118.11 1a4k h ASN 84 Ca -0.30 0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.58 1a4k h ASN 84 Cb 1.24 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 1a4k h ASN 84 CO 0.44 0.31 0.46 -0.33 -1.65 0.00 0.00 177.43 176.66 1a4k h GLU 85 N 0.75 0.00 -0.00 0.81 3.07 -1.96 0.31 114.58 117.55 1a4k h GLU 85 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1a4k h GLU 85 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1a4k h GLU 85 CO -0.33 0.00 -0.09 -0.25 -1.40 0.00 0.00 179.01 176.94 1a4k n ASP 86 N -3.18 0.14 -4.62 1.42 8.00 -0.31 -4.79 116.55 113.22 1a4k n ASP 86 Ca 0.03 0.09 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 1a4k n ASP 86 Cb 0.56 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1a4k n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a4k s THR 87 N -2.83 3.17 0.01 -3.53 2.01 0.11 -4.82 115.64 109.75 1a4k s THR 87 Ca 0.19 0.18 -0.27 0.00 0.31 0.00 0.00 61.69 62.11 1a4k s THR 87 Cb 0.19 -3.19 0.09 0.00 0.01 0.00 0.00 72.50 69.60 1a4k s THR 87 CO 0.53 -0.09 1.22 0.00 -0.69 0.00 0.00 174.62 175.59 1a4k n ALA 88 N 10.01 -3.41 -2.93 7.40 0.00 -0.84 -4.16 120.51 126.59 1a4k n ALA 88 Ca 0.25 -0.82 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 1a4k n ALA 88 Cb 0.44 0.21 -0.11 0.00 0.00 0.00 0.00 19.45 19.99 1a4k n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a4k s THR 89 N -2.03 4.21 -0.29 0.00 2.01 -0.83 -0.95 115.64 117.77 1a4k s THR 89 Ca 0.28 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 1a4k s THR 89 Cb -0.01 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1a4k s THR 89 CO 0.00 0.47 0.11 -0.31 -0.69 0.00 0.00 174.62 174.21 1a4k s TYR 90 N 0.48 3.15 -0.04 4.92 1.51 -0.31 -1.18 117.35 125.88 1a4k s TYR 90 Ca -0.01 -0.63 -0.14 0.00 -1.01 0.00 0.00 57.07 55.27 1a4k s TYR 90 Cb -0.14 -2.30 -0.05 0.00 -0.11 0.00 0.00 41.96 39.36 1a4k s TYR 90 CO 0.02 -0.46 0.38 -0.06 -1.11 0.00 0.00 175.55 174.32 1a4k s PHE 91 N 1.59 3.67 -0.24 2.71 0.08 -0.49 -1.10 117.98 124.19 1a4k s PHE 91 Ca 0.05 0.91 -0.09 0.00 0.12 0.00 0.00 56.93 57.91 1a4k s PHE 91 Cb -0.17 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1a4k s PHE 91 CO 0.05 0.55 0.13 0.00 -0.10 0.00 0.00 175.22 175.85 1a4k s VAL 93 N 1.28 1.10 -0.17 0.00 1.01 0.11 -0.92 120.40 122.81 1a4k s VAL 93 Ca 0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1a4k s VAL 93 Cb -0.14 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1a4k s VAL 93 CO 0.05 0.33 0.39 -1.10 0.00 0.00 0.00 175.10 174.78 1a4k s GLN 94 N 0.13 4.25 0.07 2.72 -0.21 0.07 0.08 119.66 126.78 1a4k s GLN 94 Ca -0.04 0.25 0.08 0.00 0.02 0.00 0.00 55.36 55.67 1a4k s GLN 94 Cb -0.10 -3.48 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 1a4k s GLN 94 CO 0.01 0.10 -0.21 0.00 -2.12 0.00 0.00 175.29 173.07 1a4k s ALA 95 N 0.87 1.80 -0.13 6.09 0.00 -0.50 -0.99 121.76 128.90 1a4k s ALA 95 Ca 0.20 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 1a4k s ALA 95 Cb -0.14 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1a4k s ALA 95 CO 0.07 0.38 0.24 -2.00 0.00 0.00 0.00 175.76 174.46 1a4k s GLU 96 N -1.56 3.98 0.05 0.00 -6.30 -0.76 -1.52 118.70 112.59 1a4k s GLU 96 Ca 0.07 0.03 -0.19 0.00 -2.50 0.00 0.00 54.97 52.38 1a4k s GLU 96 Cb -0.09 -3.33 -0.09 0.00 0.00 0.00 0.00 34.13 30.61 1a4k s GLU 96 CO 0.03 0.46 1.30 -0.09 0.02 0.00 0.00 175.26 176.99 1a4k h ARG 97 N 5.92 -0.50 -0.74 4.30 2.43 -1.90 0.61 114.38 124.50 1a4k h ARG 97 Ca -0.46 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1a4k h ARG 97 Cb 1.19 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 1a4k h ARG 97 CO 0.69 -0.34 0.41 -0.07 -1.51 0.00 0.00 179.97 179.15 1a4k h LEU 98 N -0.52 0.59 0.00 3.80 4.07 -2.00 -2.84 115.31 118.41 1a4k h LEU 98 Ca -0.03 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1a4k h LEU 98 Cb 0.46 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1a4k h LEU 98 CO -0.06 0.36 -0.88 0.03 -1.08 0.00 0.00 178.44 176.81 1a4k h ARG 99 N 0.72 0.00 -5.26 1.13 3.08 -2.01 -3.48 114.38 108.57 1a4k h ARG 99 Ca 0.34 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.06 1a4k h ARG 99 Cb 0.27 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.46 1a4k h ARG 99 CO -0.22 0.00 -0.63 0.54 -1.07 0.00 0.00 179.97 178.59 1a4k n ARG 100 N -2.64 -6.61 -4.10 0.04 1.74 0.20 -5.00 116.66 100.29 1a4k n ARG 100 Ca 0.01 0.74 -0.27 0.00 -0.77 0.00 0.00 57.85 57.55 1a4k n ARG 100 Cb 0.53 -5.48 -0.06 0.00 -1.02 0.00 0.00 32.46 26.43 1a4k n ARG 100 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a4k s THR 1100N -3.30 4.30 -0.94 0.55 -4.23 -1.18 -4.93 115.64 105.91 1a4k s THR 1100Ca 0.32 -1.08 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 1a4k s THR 1100Cb -0.14 -3.15 0.22 0.00 1.34 0.00 0.00 72.50 70.77 1a4k s THR 1100CO 0.64 -0.04 0.95 -0.36 -0.54 0.00 0.00 174.62 175.27 1a4k s PHE 2100N -1.63 3.78 0.09 3.99 0.08 -1.26 -1.82 117.98 121.21 1a4k s PHE 2100Ca 0.29 -2.09 -0.23 0.00 0.12 0.00 0.00 56.93 55.03 1a4k s PHE 2100Cb -0.10 -3.92 -0.14 0.00 -0.57 0.00 0.00 43.02 38.28 1a4k s PHE 2100CO 0.22 -1.08 1.74 -0.44 -0.10 0.00 0.00 175.22 175.56 1a4k h ASP 101 N 7.61 0.01 -3.30 1.36 5.19 -1.42 -3.44 116.42 122.43 1a4k h ASP 101 Ca 0.15 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 56.11 1a4k h ASP 101 Cb 0.99 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.13 1a4k h ASP 101 CO 0.90 0.01 -0.78 -0.47 -3.12 0.00 0.00 179.24 175.78 1a4k s TYR 102 N -6.19 0.86 -0.14 4.55 6.14 -1.01 -5.00 117.35 116.56 1a4k s TYR 102 Ca -0.13 -0.30 -0.07 0.00 0.64 0.00 0.00 57.07 57.21 1a4k s TYR 102 Cb 0.06 -0.85 -0.04 0.00 0.42 0.00 0.00 41.96 41.55 1a4k s TYR 102 CO 0.66 -0.32 0.11 -1.58 0.64 0.00 0.00 175.55 175.06 1a4k s TRP 103 N 1.59 3.46 0.88 4.97 0.52 -1.26 -0.75 118.94 128.35 1a4k s TRP 103 Ca -0.00 0.39 -0.13 0.00 0.02 0.00 0.00 56.10 56.37 1a4k s TRP 103 Cb -0.13 -2.00 0.14 0.00 -1.15 0.00 0.00 33.47 30.34 1a4k s TRP 103 CO -0.04 0.52 1.24 0.20 0.02 0.00 0.00 176.95 178.89 1a4k s GLY 104 N -0.49 1.70 0.54 0.98 0.00 -0.10 -4.95 107.32 105.00 1a4k s GLY 104 Ca 0.12 -0.98 0.23 0.00 0.00 0.00 0.00 44.72 44.08 1a4k s GLY 104 CO 0.02 -0.35 2.17 0.00 0.00 0.00 0.00 173.10 174.94 1a4k h ALA 105 N -1.32 1.70 0.00 3.20 0.00 -1.88 -3.44 119.26 117.52 1a4k h ALA 105 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a4k h ALA 105 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a4k h ALA 105 CO 0.51 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1a4k n GLY 106 N -1.31 0.30 3.20 0.00 0.00 -1.26 -5.02 105.19 101.10 1a4k n GLY 106 Ca -0.03 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 1a4k n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4k s THR 107 N -1.26 2.59 0.31 2.61 2.01 -0.26 -4.89 115.64 116.74 1a4k s THR 107 Ca 0.00 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 60.99 1a4k s THR 107 Cb 0.00 -2.13 -0.10 0.00 0.01 0.00 0.00 72.50 70.28 1a4k s THR 107 CO 0.00 0.49 0.90 -0.89 -0.69 0.00 0.00 174.62 174.43 1a4k s THR 108 N 1.36 4.28 -0.13 -0.82 2.01 -1.26 -1.16 115.64 119.92 1a4k s THR 108 Ca 0.05 1.72 -0.01 0.00 0.31 0.00 0.00 61.69 63.76 1a4k s THR 108 Cb -0.14 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.43 1a4k s THR 108 CO -0.09 0.15 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.28 1a4k s VAL 109 N -1.60 0.71 -0.21 3.82 1.01 -0.12 -0.94 120.40 123.06 1a4k s VAL 109 Ca 0.49 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1a4k s VAL 109 Cb -0.18 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1a4k s VAL 109 CO 0.23 0.13 -0.01 -0.89 0.00 0.00 0.00 175.10 174.56 1a4k s THR 110 N 1.81 3.79 -0.41 3.92 2.01 0.27 -1.98 115.64 125.05 1a4k s THR 110 Ca 0.02 -0.36 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 1a4k s THR 110 Cb -0.14 -2.72 0.08 0.00 0.01 0.00 0.00 72.50 69.73 1a4k s THR 110 CO -0.07 0.42 0.24 -0.69 -0.69 0.00 0.00 174.62 173.83 1a4k s VAL 111 N 1.16 4.11 -0.11 3.82 1.01 -1.26 -1.05 120.40 128.09 1a4k s VAL 111 Ca 0.03 -1.43 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 1a4k s VAL 111 Cb -0.14 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1a4k s VAL 111 CO 0.01 -0.49 0.47 -0.55 0.00 0.00 0.00 175.10 174.53 1a4k s SER 112 N 2.04 -0.44 -0.11 3.32 0.15 0.90 -4.58 113.70 114.98 1a4k s SER 112 Ca 0.03 0.67 0.07 0.00 0.70 0.00 0.00 55.95 57.42 1a4k s SER 112 Cb -0.23 0.71 0.41 0.00 -1.71 0.00 0.00 66.02 65.20 1a4k s SER 112 CO 0.02 -0.33 1.15 -1.20 1.20 0.00 0.00 173.24 174.07 1a4k n SER 113 N 2.02 3.25 -4.89 5.45 7.64 -1.26 -3.77 113.62 122.07 1a4k n SER 113 Ca -0.17 -2.42 -0.22 0.00 1.01 0.00 0.00 58.87 57.07 1a4k n SER 113 Cb 0.56 -0.56 0.06 0.00 -1.01 0.00 0.00 64.21 63.27 1a4k n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a4k s ALA 114 N -1.85 3.85 0.37 -0.43 0.00 -1.26 -5.08 121.76 117.36 1a4k s ALA 114 Ca 0.27 -1.47 0.08 0.00 0.00 0.00 0.00 51.96 50.84 1a4k s ALA 114 Cb 0.20 -2.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 1a4k s ALA 114 CO 0.09 -0.98 0.04 -1.12 0.00 0.00 0.00 175.76 173.79 1a4k s SER 115 N -4.53 4.16 0.28 0.00 0.01 -1.26 -5.00 113.70 107.37 1a4k s SER 115 Ca 0.60 -1.08 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 1a4k s SER 115 Cb -0.09 -0.49 -0.10 0.00 0.21 0.00 0.00 66.02 65.56 1a4k s SER 115 CO 0.40 -0.34 1.25 -0.89 0.41 0.00 0.00 173.24 174.08 1a4k s THR 116 N -2.57 3.05 -0.09 1.44 2.01 -1.26 -4.69 115.64 113.52 1a4k s THR 116 Ca 0.36 1.00 -0.02 0.00 0.31 0.00 0.00 61.69 63.34 1a4k s THR 116 Cb 0.03 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.94 1a4k s THR 116 CO 0.20 0.22 0.02 -0.54 -0.69 0.00 0.00 174.62 173.82 1a4k s LYS 117 N -1.26 0.50 0.75 4.92 -0.14 0.14 -4.92 119.74 119.72 1a4k s LYS 117 Ca 0.50 0.04 -0.13 0.00 -1.36 0.00 0.00 55.97 55.01 1a4k s LYS 117 Cb -0.37 -1.16 0.05 0.00 -1.68 0.00 0.00 37.83 34.67 1a4k s LYS 117 CO 0.46 -0.39 1.15 0.20 -0.76 0.00 0.00 175.35 176.02 1a4k s GLY 118 N 1.99 2.08 0.49 -3.33 0.00 -1.26 -1.47 107.32 105.82 1a4k s GLY 118 Ca 0.04 0.65 -0.00 0.00 0.00 0.00 0.00 44.72 45.41 1a4k s GLY 118 CO -0.06 1.04 0.72 2.56 0.00 0.00 0.00 173.10 177.36 1a4k s PRO 119 N -4.23 2.92 -0.08 2.90 0.04 -1.26 -4.50 135.00 130.79 1a4k s PRO 119 Ca 0.69 -0.51 0.02 0.00 0.04 0.00 0.00 61.00 61.24 1a4k s PRO 119 Cb -0.24 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1a4k s PRO 119 CO 0.48 -0.43 -0.11 -1.12 0.04 0.00 0.00 177.00 175.86 1a4k s SER 120 N -4.28 4.24 -0.36 6.66 0.01 -1.04 -4.94 113.70 113.99 1a4k s SER 120 Ca 0.51 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.55 1a4k s SER 120 Cb -0.10 -1.14 0.07 0.00 0.21 0.00 0.00 66.02 65.05 1a4k s SER 120 CO 0.39 0.30 0.13 -0.69 0.41 0.00 0.00 173.24 173.78 1a4k s VAL 121 N -0.47 3.54 -0.04 3.43 1.01 -1.26 -2.19 120.40 124.41 1a4k s VAL 121 Ca 0.06 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 1a4k s VAL 121 Cb -0.12 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1a4k s VAL 121 CO 0.02 -0.35 0.17 -0.36 0.00 0.00 0.00 175.10 174.58 1a4k s PHE 122 N 1.30 3.56 0.51 5.22 0.08 -0.38 -4.95 117.98 123.33 1a4k s PHE 122 Ca 0.01 0.41 -0.18 0.00 0.12 0.00 0.00 56.93 57.29 1a4k s PHE 122 Cb -0.21 -1.86 -0.08 0.00 -0.57 0.00 0.00 43.02 40.30 1a4k s PHE 122 CO -0.00 0.67 1.01 -1.25 -0.10 0.00 0.00 175.22 175.55 1a4k s PRO 123 N -1.66 3.83 -0.78 0.24 0.05 -1.26 -1.13 135.00 134.29 1a4k s PRO 123 Ca 0.23 1.12 0.02 0.00 0.05 0.00 0.00 61.00 62.43 1a4k s PRO 123 Cb -0.12 -2.11 0.19 0.00 0.05 0.00 0.00 34.50 32.50 1a4k s PRO 123 CO 0.14 -0.38 0.61 1.28 0.05 0.00 0.00 177.00 178.71 1a4k n LEU 124 N -1.38 3.50 -4.60 -3.56 7.99 -0.90 -4.77 117.00 113.29 1a4k n LEU 124 Ca 0.08 -5.19 -0.53 0.00 -0.01 0.00 0.00 56.01 50.36 1a4k n LEU 124 Cb 0.53 -0.89 -0.06 0.00 -0.11 0.00 0.00 43.42 42.89 1a4k n LEU 124 CO 0.43 1.69 0.93 0.00 -1.51 0.00 0.00 177.39 178.93 1a4k n ALA 125 N 2.07 -1.00 -1.85 -1.18 0.00 -1.26 -1.94 120.51 115.35 1a4k n ALA 125 Ca 0.21 0.51 -0.35 0.00 0.00 0.00 0.00 53.44 53.81 1a4k n ALA 125 Cb 0.36 -2.08 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 1a4k n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a4k n PRO 126 N 2.73 1.84 -2.12 0.00 -0.04 -1.26 -4.54 135.00 131.60 1a4k n PRO 126 Ca 0.19 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1a4k n PRO 126 Cb 0.18 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.19 1a4k n PRO 126 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a4k n SER 127 N 11.25 -8.60 0.16 3.54 7.64 -1.26 -4.69 113.62 121.65 1a4k n SER 127 Ca 0.47 1.54 0.13 0.00 1.01 0.00 0.00 58.87 62.02 1a4k n SER 127 Cb 0.44 -4.72 0.50 0.00 -1.01 0.00 0.00 64.21 59.42 1a4k n SER 127 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1a4k h SER 128 N 3.81 0.00 0.00 6.43 4.64 -2.02 -3.30 113.55 123.11 1a4k h SER 128 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a4k h SER 128 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a4k h SER 128 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1a4k n LYS 129 N -2.44 0.33 -3.73 4.77 5.02 -1.26 -4.97 118.16 115.88 1a4k n LYS 129 Ca 0.03 -0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1a4k n LYS 129 Cb 0.30 -0.32 -0.09 0.00 -0.02 0.00 0.00 35.03 34.90 1a4k n LYS 129 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1a4k s SER 130 N -0.06 5.38 -0.07 4.39 0.15 -1.24 -4.89 113.70 117.35 1a4k s SER 130 Ca 0.00 -3.31 0.19 0.00 0.70 0.00 0.00 55.95 53.53 1a4k s SER 130 Cb 0.00 -1.83 0.69 0.00 -1.71 0.00 0.00 66.02 63.17 1a4k s SER 130 CO 0.00 -0.25 1.59 0.41 1.20 0.00 0.00 173.24 176.18 1a4k n THR 131 N 2.84 1.51 -3.79 6.45 -1.04 -1.26 -4.51 114.28 114.48 1a4k n THR 131 Ca 0.14 -1.09 -0.13 0.00 -2.04 0.00 0.00 64.05 60.94 1a4k n THR 131 Cb 0.37 0.24 -0.12 0.00 -1.82 0.00 0.00 70.33 68.99 1a4k n THR 131 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1a4k s SER 132 N -0.92 -0.22 0.00 8.00 0.01 -1.26 -4.78 113.70 114.53 1a4k s SER 132 Ca 0.50 0.42 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1a4k s SER 132 Cb 0.30 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1a4k s SER 132 CO 0.27 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1a4k n GLY 133 N 3.10 -0.36 6.66 3.44 0.00 -1.26 -5.05 105.19 111.72 1a4k n GLY 133 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1a4k n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4k n GLY 134 N 0.00 0.28 3.51 -0.02 0.00 -1.26 -4.48 105.19 103.22 1a4k n GLY 134 Ca 0.00 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.37 1a4k n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a4k s THR 135 N 0.00 3.16 0.41 2.61 -4.23 -1.26 0.12 115.64 116.45 1a4k s THR 135 Ca 0.00 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 1a4k s THR 135 Cb 0.00 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.55 1a4k s THR 135 CO 0.00 0.42 0.25 0.00 -0.54 0.00 0.00 174.62 174.76 1a4k n ALA 136 N 1.74 0.59 -1.00 3.99 0.00 0.39 -4.67 120.51 121.54 1a4k n ALA 136 Ca -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1a4k n ALA 136 Cb 0.52 0.74 0.00 0.00 0.00 0.00 0.00 19.45 20.71 1a4k n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4k n ALA 137 N -2.07 0.00 -0.78 0.00 0.00 -1.26 -3.84 120.51 112.56 1a4k n ALA 137 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1a4k n ALA 137 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1a4k n ALA 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1a4k n LEU 138 N 0.00 -1.85 0.00 0.00 0.00 -1.25 -4.40 117.00 109.49 1a4k n LEU 138 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.98 1a4k n LEU 138 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 43.42 42.51 1a4k n LEU 138 CO 0.00 0.00 0.20 0.61 0.00 0.00 0.00 177.39 178.20 1a4k n GLY 139 N 0.22 1.57 3.05 -3.96 0.00 -0.82 -0.63 105.19 104.64 1a4k n GLY 139 Ca 0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1a4k n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4k s LEU 141 N 1.71 4.65 -0.29 0.00 2.96 -0.28 -1.36 118.68 126.07 1a4k s LEU 141 Ca -0.05 -1.14 -0.08 0.00 -0.22 0.00 0.00 54.13 52.63 1a4k s LEU 141 Cb -0.11 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1a4k s LEU 141 CO -0.09 -0.39 0.11 0.54 -1.32 0.00 0.00 176.35 175.21 1a4k s VAL 142 N 1.47 4.36 0.21 1.68 0.11 -0.81 -1.25 120.40 126.18 1a4k s VAL 142 Ca 0.01 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1a4k s VAL 142 Cb -0.20 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 1a4k s VAL 142 CO 0.04 0.13 0.10 -1.59 -3.33 0.00 0.00 175.10 170.45 1a4k s LYS 143 N 1.58 1.24 -0.89 1.54 -2.85 -0.93 -1.61 119.74 117.82 1a4k s LYS 143 Ca 0.04 -1.65 -0.05 0.00 -1.00 0.00 0.00 55.97 53.32 1a4k s LYS 143 Cb -0.17 0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.61 1a4k s LYS 143 CO 0.05 -0.32 0.76 -0.25 0.10 0.00 0.00 175.35 175.69 1a4k n ASP 144 N -0.32 -6.86 -4.29 0.03 8.00 0.54 -2.51 116.55 111.14 1a4k n ASP 144 Ca -0.00 -0.47 -0.16 0.00 0.71 0.00 0.00 54.79 54.87 1a4k n ASP 144 Cb 0.66 -4.66 -0.10 0.00 -0.02 0.00 0.00 41.12 36.99 1a4k n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1a4k s TYR 145 N -3.17 1.44 -0.29 1.24 1.13 -1.02 -4.40 117.35 112.27 1a4k s TYR 145 Ca 0.19 -1.13 -0.22 0.00 -1.41 0.00 0.00 57.07 54.51 1a4k s TYR 145 Cb -0.04 -0.83 0.16 0.00 -1.10 0.00 0.00 41.96 40.15 1a4k s TYR 145 CO 0.78 -0.30 1.17 0.12 -2.51 0.00 0.00 175.55 174.81 1a4k s PHE 146 N -3.72 -0.32 0.00 -3.49 2.19 -0.54 0.20 117.98 112.29 1a4k s PHE 146 Ca 0.34 0.72 0.00 0.00 0.33 0.00 0.00 56.93 58.31 1a4k s PHE 146 Cb 0.07 0.35 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 1a4k s PHE 146 CO 0.11 -0.15 0.00 -0.35 1.83 0.00 0.00 175.22 176.65 1a4k n PRO 147 N 2.47 2.23 -1.61 10.12 -0.04 -1.26 0.28 135.00 147.19 1a4k n PRO 147 Ca -0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 1a4k n PRO 147 Cb 0.57 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.07 1a4k n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a4k s GLU 148 N 1.43 2.94 0.55 0.54 2.02 -1.26 -4.81 118.70 120.11 1a4k s GLU 148 Ca 0.00 0.89 0.03 0.00 0.02 0.00 0.00 54.97 55.91 1a4k s GLU 148 Cb 0.00 -1.99 0.03 0.00 0.10 0.00 0.00 34.13 32.27 1a4k s GLU 148 CO 0.00 -1.08 0.25 -0.35 0.02 0.00 0.00 175.26 174.09 1a4k n PRO 149 N -3.11 0.68 -4.57 0.39 -0.04 -1.26 -4.95 135.00 122.14 1a4k n PRO 149 Ca 0.07 -3.67 -0.24 0.00 -0.04 0.00 0.00 63.50 59.62 1a4k n PRO 149 Cb 0.54 0.65 -0.14 0.00 -0.04 0.00 0.00 33.50 34.51 1a4k n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a4k s VAL 150 N -2.85 1.58 -0.09 0.52 0.11 -1.26 -4.51 120.40 113.90 1a4k s VAL 150 Ca 0.19 -1.19 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 1a4k s VAL 150 Cb -0.01 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.43 1a4k s VAL 150 CO 0.12 0.15 -0.09 0.42 -3.33 0.00 0.00 175.10 172.37 1a4k s THR 151 N -0.83 3.45 -0.10 5.04 -4.23 -0.29 -4.94 115.64 113.73 1a4k s THR 151 Ca 0.06 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 1a4k s THR 151 Cb -0.09 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1a4k s THR 151 CO 0.02 0.57 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.95 1a4k s VAL 152 N -0.38 0.63 0.20 2.29 1.01 -1.26 -1.72 120.40 121.17 1a4k s VAL 152 Ca 0.05 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1a4k s VAL 152 Cb -0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1a4k s VAL 152 CO 0.02 0.24 -0.18 -0.94 0.00 0.00 0.00 175.10 174.25 1a4k s SER 153 N 1.86 2.85 -0.18 3.32 1.04 -1.01 -4.99 113.70 116.60 1a4k s SER 153 Ca 0.04 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 1a4k s SER 153 Cb -0.13 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 1a4k s SER 153 CO -0.07 -0.06 -0.06 0.26 0.98 0.00 0.00 173.24 174.29 1a4k s TRP 154 N -2.44 2.94 -1.25 5.02 0.52 -1.26 -0.64 118.94 121.83 1a4k s TRP 154 Ca 0.21 -0.71 -0.03 0.00 0.02 0.00 0.00 56.10 55.59 1a4k s TRP 154 Cb -0.04 -2.01 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 1a4k s TRP 154 CO 0.08 -0.34 1.07 0.09 0.02 0.00 0.00 176.95 177.87 1a4k n ASN 155 N 4.18 -3.61 -3.32 2.95 5.03 0.40 -0.55 115.26 120.35 1a4k n ASN 155 Ca -0.18 -0.59 -0.24 0.00 0.87 0.00 0.00 54.58 54.44 1a4k n ASN 155 Cb 0.52 -5.09 0.04 0.00 -1.02 0.00 0.00 39.78 34.23 1a4k n ASN 155 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1a4k n SER 156 N -3.08 -5.67 0.00 6.41 7.64 -1.26 -1.44 113.62 116.22 1a4k n SER 156 Ca -0.18 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1a4k n SER 156 Cb 0.63 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1a4k n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4k n GLY 157 N -1.61 0.91 0.29 0.23 0.00 -1.11 -4.91 105.19 98.99 1a4k n GLY 157 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1a4k n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4k h ALA 158 N 0.00 0.83 -2.88 4.61 0.00 -0.93 -3.42 119.26 117.47 1a4k h ALA 158 Ca 0.00 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 53.95 1a4k h ALA 158 Cb 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.48 1a4k h ALA 158 CO 0.00 0.65 -0.26 -0.51 0.00 0.00 0.00 179.25 179.13 1a4k s LEU 159 N -9.11 4.13 0.00 0.00 1.43 0.29 -4.84 118.68 110.57 1a4k s LEU 159 Ca -0.11 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1a4k s LEU 159 Cb 0.13 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1a4k s LEU 159 CO 0.85 -0.06 0.00 0.41 0.23 0.00 0.00 176.35 177.78 1a4k n THR 160 N 4.44 0.00 -2.80 5.49 -1.04 -1.26 -4.14 114.28 114.96 1a4k n THR 160 Ca -0.10 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 1a4k n THR 160 Cb 0.51 0.09 -0.05 0.00 -1.82 0.00 0.00 70.33 69.07 1a4k n THR 160 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1a4k s SER 161 N -0.34 7.45 0.00 8.00 0.15 -1.26 -3.83 113.70 123.86 1a4k s SER 161 Ca 0.00 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.38 1a4k s SER 161 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1a4k s SER 161 CO 0.00 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1a4k n GLY 162 N 2.17 1.59 3.67 9.45 0.00 -1.26 -4.55 105.19 116.26 1a4k n GLY 162 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 1a4k n GLY 162 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a4k n VAL 163 N -1.22 0.04 -3.52 1.61 0.31 -1.25 -3.46 118.33 110.84 1a4k n VAL 163 Ca 0.00 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.03 1a4k n VAL 163 Cb 0.00 -1.56 -0.14 0.00 -0.91 0.00 0.00 33.84 31.23 1a4k n VAL 163 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1a4k s HIS 164 N 0.88 0.56 -0.09 3.52 3.76 0.11 -4.99 115.29 119.04 1a4k s HIS 164 Ca 0.78 -1.22 -0.22 0.00 -0.15 0.00 0.00 55.06 54.25 1a4k s HIS 164 Cb -0.67 -0.96 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 1a4k s HIS 164 CO 0.38 -0.83 0.64 0.99 -0.85 0.00 0.00 174.74 175.07 1a4k s THR 165 N 1.67 5.08 0.30 1.30 2.01 -1.26 -2.11 115.64 122.63 1a4k s THR 165 Ca 0.13 1.31 -0.04 0.00 0.31 0.00 0.00 61.69 63.39 1a4k s THR 165 Cb -0.19 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1a4k s THR 165 CO -0.22 0.27 0.55 -0.36 -0.69 0.00 0.00 174.62 174.17 1a4k s PHE 166 N 0.80 3.48 0.32 4.92 0.08 0.09 -5.00 117.98 122.67 1a4k s PHE 166 Ca 0.34 0.58 -0.29 0.00 0.12 0.00 0.00 56.93 57.68 1a4k s PHE 166 Cb -0.17 -2.06 -0.11 0.00 -0.57 0.00 0.00 43.02 40.11 1a4k s PHE 166 CO 0.16 0.16 1.48 -2.14 -0.10 0.00 0.00 175.22 174.78 1a4k s PRO 167 N -3.70 4.18 0.87 0.24 0.02 -1.26 -4.50 135.00 130.85 1a4k s PRO 167 Ca 0.43 2.46 -0.11 0.00 0.02 0.00 0.00 61.00 63.80 1a4k s PRO 167 Cb -0.11 -3.03 0.12 0.00 0.02 0.00 0.00 34.50 31.50 1a4k s PRO 167 CO 0.31 -0.49 1.17 0.00 -0.33 0.00 0.00 177.00 177.67 1a4k s ALA 168 N -0.55 1.64 -0.03 -1.55 0.00 -1.26 -4.80 121.76 115.20 1a4k s ALA 168 Ca 0.57 0.70 0.03 0.00 0.00 0.00 0.00 51.96 53.26 1a4k s ALA 168 Cb -0.45 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1a4k s ALA 168 CO 0.53 -2.56 -0.10 0.54 0.00 0.00 0.00 175.76 174.17 1a4k s VAL 169 N -2.43 0.89 -0.34 0.00 0.11 0.20 -4.93 120.40 113.90 1a4k s VAL 169 Ca 0.70 -0.41 -0.22 0.00 -2.93 0.00 0.00 61.98 59.12 1a4k s VAL 169 Cb -0.25 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1a4k s VAL 169 CO 0.55 0.28 0.70 -0.22 -3.33 0.00 0.00 175.10 173.08 1a4k s LEU 170 N 0.25 4.17 0.74 2.54 2.96 -1.26 -1.03 118.68 127.05 1a4k s LEU 170 Ca -0.05 0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 1a4k s LEU 170 Cb -0.10 -2.91 0.04 0.00 0.50 0.00 0.00 46.19 43.72 1a4k s LEU 170 CO 0.01 -0.62 1.08 -1.10 -1.32 0.00 0.00 176.35 174.40 1a4k s GLN 171 N 2.85 2.55 0.62 1.98 -0.21 -0.33 -4.92 119.66 122.20 1a4k s GLN 171 Ca 0.28 0.69 0.34 0.00 0.02 0.00 0.00 55.36 56.69 1a4k s GLN 171 Cb -0.14 -1.97 1.98 0.00 1.00 0.00 0.00 33.01 33.88 1a4k s GLN 171 CO 0.15 -1.31 2.25 0.66 -2.12 0.00 0.00 175.29 174.92 1a4k h SER 172 N -0.86 0.00 0.90 5.90 4.64 -1.97 0.05 113.55 122.21 1a4k h SER 172 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1a4k h SER 172 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1a4k h SER 172 CO 0.60 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.33 1a4k h SER 173 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.45 113.55 117.69 1a4k h SER 173 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1a4k h SER 173 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1a4k h SER 173 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1a4k n GLY 174 N -0.05 0.70 3.95 -0.77 0.00 0.01 -5.06 105.19 103.96 1a4k n GLY 174 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1a4k n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a4k s LEU 175 N 0.00 4.32 0.34 0.99 1.02 -1.26 -4.90 118.68 119.19 1a4k s LEU 175 Ca 0.00 0.15 0.02 0.00 0.02 0.00 0.00 54.13 54.32 1a4k s LEU 175 Cb 0.00 -2.91 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 1a4k s LEU 175 CO 0.00 -0.01 0.52 -0.31 0.02 0.00 0.00 176.35 176.58 1a4k s TYR 176 N -1.85 3.43 -0.14 0.29 2.02 0.13 -1.18 117.35 120.04 1a4k s TYR 176 Ca 0.35 0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 57.11 1a4k s TYR 176 Cb -0.10 -1.89 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1a4k s TYR 176 CO 0.29 0.11 0.44 0.45 -1.57 0.00 0.00 175.55 175.27 1a4k s SER 177 N -4.06 -0.44 0.20 2.29 0.15 -0.20 -0.34 113.70 111.30 1a4k s SER 177 Ca 0.40 0.79 -0.19 0.00 0.70 0.00 0.00 55.95 57.65 1a4k s SER 177 Cb -0.10 0.82 0.04 0.00 -1.71 0.00 0.00 66.02 65.07 1a4k s SER 177 CO 0.35 -0.22 0.58 -1.48 1.20 0.00 0.00 173.24 173.67 1a4k s LEU 178 N -0.03 -0.13 0.05 3.45 0.05 -0.63 0.59 118.68 122.01 1a4k s LEU 178 Ca -0.02 -0.39 0.04 0.00 0.05 0.00 0.00 54.13 53.80 1a4k s LEU 178 Cb -0.03 2.35 -0.02 0.00 -2.05 0.00 0.00 46.19 46.44 1a4k s LEU 178 CO 0.02 -1.09 -0.11 -0.94 -0.55 0.00 0.00 176.35 173.68 1a4k s SER 179 N -2.85 1.33 -0.22 1.48 1.04 -1.26 -1.92 113.70 111.30 1a4k s SER 179 Ca 0.08 -0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 1a4k s SER 179 Cb -0.02 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.12 1a4k s SER 179 CO -0.03 -0.07 -0.04 -0.55 0.98 0.00 0.00 173.24 173.53 1a4k s SER 180 N -1.36 3.50 0.11 7.02 0.15 -0.46 -0.73 113.70 121.92 1a4k s SER 180 Ca -0.03 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.65 1a4k s SER 180 Cb -0.09 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 1a4k s SER 180 CO 0.01 -0.24 -0.02 0.68 1.20 0.00 0.00 173.24 174.87 1a4k s VAL 181 N 1.53 3.84 -0.04 4.45 -7.23 -0.90 -0.42 120.40 121.63 1a4k s VAL 181 Ca -0.04 -1.13 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1a4k s VAL 181 Cb -0.18 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 33.92 1a4k s VAL 181 CO -0.07 0.07 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.98 1a4k s VAL 182 N -1.37 1.06 -0.18 1.32 1.01 0.20 0.08 120.40 122.51 1a4k s VAL 182 Ca 0.25 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1a4k s VAL 182 Cb -0.11 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1a4k s VAL 182 CO 0.18 0.33 0.54 -0.89 0.00 0.00 0.00 175.10 175.25 1a4k s THR 183 N 0.34 5.10 0.08 3.92 2.01 -1.22 -4.31 115.64 121.55 1a4k s THR 183 Ca -0.08 1.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 1a4k s THR 183 Cb -0.12 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1a4k s THR 183 CO 0.02 0.19 -0.01 0.68 -0.69 0.00 0.00 174.62 174.80 1a4k s VAL 184 N 1.53 0.28 -0.11 3.82 -7.23 -1.25 -4.58 120.40 112.86 1a4k s VAL 184 Ca 0.26 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 1a4k s VAL 184 Cb -0.16 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1a4k s VAL 184 CO 0.10 -0.84 0.97 -2.16 -0.31 0.00 0.00 175.10 172.86 1a4k s PRO 185 N -3.94 4.40 0.66 4.82 0.05 -1.26 0.15 135.00 139.88 1a4k s PRO 185 Ca 0.12 1.32 0.11 0.00 0.05 0.00 0.00 61.00 62.60 1a4k s PRO 185 Cb 0.07 -3.54 0.56 0.00 0.05 0.00 0.00 34.50 31.64 1a4k s PRO 185 CO -0.06 -0.31 1.31 0.77 0.05 0.00 0.00 177.00 178.76 1a4k h SER 186 N 7.12 0.00 1.39 6.66 0.02 0.67 1.31 113.55 130.73 1a4k h SER 186 Ca -0.31 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.55 1a4k h SER 186 Cb 1.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1a4k h SER 186 CO 0.85 0.00 -0.45 0.77 -1.14 0.00 0.00 176.83 176.86 1a4k h SER 187 N 0.00 0.00 0.98 3.07 4.64 -1.86 -3.07 113.55 117.31 1a4k h SER 187 Ca 0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1a4k h SER 187 Cb 1.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.69 1a4k h SER 187 CO -0.00 0.45 -0.19 0.77 -0.87 0.00 0.00 176.83 176.99 1a4k h SER 188 N 0.00 0.00 -2.50 4.97 4.64 0.14 -3.41 113.55 117.39 1a4k h SER 188 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1a4k h SER 188 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1a4k h SER 188 CO 0.06 0.19 1.21 -0.76 -0.87 0.00 0.00 176.83 176.66 1a4k s LEU 189 N -6.67 4.05 0.00 5.97 1.43 -1.16 -0.43 118.68 121.87 1a4k s LEU 189 Ca 0.01 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1a4k s LEU 189 Cb 0.10 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1a4k s LEU 189 CO 0.63 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1a4k n GLY 190 N 4.70 2.80 0.31 -3.19 0.00 -1.26 -4.82 105.19 103.73 1a4k n GLY 190 Ca 0.21 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1a4k n GLY 190 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1a4k h THR 191 N 0.00 0.08 -3.36 2.61 1.35 -1.73 -3.44 112.91 108.42 1a4k h THR 191 Ca 0.00 -0.47 -0.56 0.00 -0.55 0.00 0.00 66.41 64.83 1a4k h THR 191 Cb 0.00 0.12 -0.05 0.00 -1.73 0.00 0.00 68.15 66.49 1a4k h THR 191 CO 0.00 0.02 0.20 -1.10 -0.25 0.00 0.00 175.52 174.38 1a4k s GLN 192 N -4.10 4.43 0.32 4.72 -0.21 0.43 -5.06 119.66 120.20 1a4k s GLN 192 Ca -0.12 1.00 -0.22 0.00 0.02 0.00 0.00 55.36 56.05 1a4k s GLN 192 Cb 0.01 -3.48 -0.10 0.00 1.00 0.00 0.00 33.01 30.45 1a4k s GLN 192 CO 0.36 -0.04 0.86 -0.08 -2.12 0.00 0.00 175.29 174.27 1a4k s THR 193 N 1.12 4.41 -0.13 -0.19 -1.32 -1.26 -4.67 115.64 113.60 1a4k s THR 193 Ca 0.40 1.48 -0.02 0.00 -1.21 0.00 0.00 61.69 62.34 1a4k s THR 193 Cb -0.18 -3.81 0.04 0.00 -1.51 0.00 0.00 72.50 67.04 1a4k s THR 193 CO 0.19 -0.00 0.01 -0.31 -2.21 0.00 0.00 174.62 172.30 1a4k s TYR 194 N -1.78 0.87 -0.07 9.09 2.02 -1.26 -5.01 117.35 121.21 1a4k s TYR 194 Ca 0.52 -0.52 -0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1a4k s TYR 194 Cb -0.15 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1a4k s TYR 194 CO 0.19 -0.47 -0.03 0.42 -1.57 0.00 0.00 175.55 174.09 1a4k s ILE 195 N 1.91 0.57 -0.13 2.71 1.01 -1.26 -1.93 121.20 124.08 1a4k s ILE 195 Ca 0.02 -0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 1a4k s ILE 195 Cb -0.15 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1a4k s ILE 195 CO -0.07 0.27 0.48 0.00 0.00 0.00 0.00 174.94 175.62 1a4k s ASN 197 N 0.70 5.67 0.14 0.00 0.01 0.19 -1.94 114.94 119.71 1a4k s ASN 197 Ca 0.26 -0.64 0.03 0.00 -0.71 0.00 0.00 52.86 51.79 1a4k s ASN 197 Cb -0.15 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 1a4k s ASN 197 CO 0.10 -0.25 0.26 -0.69 -1.51 0.00 0.00 177.10 175.00 1a4k s VAL 198 N 1.61 5.20 -0.15 1.60 1.01 0.13 -2.40 120.40 127.40 1a4k s VAL 198 Ca 0.04 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1a4k s VAL 198 Cb -0.18 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1a4k s VAL 198 CO 0.07 -0.08 0.36 0.21 0.00 0.00 0.00 175.10 175.67 1a4k s ASN 199 N -3.16 -0.42 -0.44 3.32 2.47 -0.70 -2.40 114.94 113.62 1a4k s ASN 199 Ca 0.34 0.77 0.02 0.00 0.42 0.00 0.00 52.86 54.41 1a4k s ASN 199 Cb -0.11 0.70 0.14 0.00 -1.45 0.00 0.00 41.25 40.53 1a4k s ASN 199 CO 0.28 -0.16 0.26 -2.28 -3.72 0.00 0.00 177.10 171.47 1a4k s HIS 200 N 0.89 1.83 0.43 0.43 5.65 -0.31 -1.14 115.29 123.08 1a4k s HIS 200 Ca -0.06 -2.36 0.12 0.00 0.25 0.00 0.00 55.06 53.01 1a4k s HIS 200 Cb -0.06 -1.73 0.99 0.00 -1.18 0.00 0.00 32.58 30.60 1a4k s HIS 200 CO -0.07 -0.78 2.02 0.87 -0.65 0.00 0.00 174.74 176.14 1a4k h LYS 201 N 6.61 0.42 0.00 2.88 6.56 -1.79 -1.09 116.57 130.15 1a4k h LYS 201 Ca 0.03 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1a4k h LYS 201 Cb 0.92 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 1a4k h LYS 201 CO 0.46 0.28 0.00 -2.30 -2.06 0.00 0.00 179.45 175.82 1a4k n PRO 202 N -4.48 0.08 0.00 3.15 -0.02 -1.26 -2.00 135.00 130.47 1a4k n PRO 202 Ca 0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1a4k n PRO 202 Cb 0.23 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1a4k n PRO 202 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1a4k n SER 203 N -1.90 0.65 -1.22 2.55 3.41 -0.75 -4.88 113.62 111.48 1a4k n SER 203 Ca -0.01 -1.29 -0.16 0.00 -0.26 0.00 0.00 58.87 57.16 1a4k n SER 203 Cb 0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 1a4k n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a4k n ASN 204 N -0.15 -5.44 -4.74 4.04 5.03 -0.49 -4.93 115.26 108.59 1a4k n ASN 204 Ca 0.00 0.39 -0.41 0.00 0.87 0.00 0.00 54.58 55.43 1a4k n ASN 204 Cb 0.36 -4.34 -0.04 0.00 -1.02 0.00 0.00 39.78 34.74 1a4k n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1a4k s THR 205 N -2.41 3.91 -0.40 3.41 2.01 -0.80 -4.93 115.64 116.43 1a4k s THR 205 Ca 0.00 1.66 0.05 0.00 0.31 0.00 0.00 61.69 63.71 1a4k s THR 205 Cb 0.00 -4.06 0.17 0.00 0.01 0.00 0.00 72.50 68.62 1a4k s THR 205 CO 0.00 0.29 0.46 -0.75 -0.69 0.00 0.00 174.62 173.93 1a4k s LYS 206 N -0.39 0.75 0.34 4.92 2.36 -1.26 -1.16 119.74 125.30 1a4k s LYS 206 Ca 0.49 -0.87 0.08 0.00 -2.55 0.00 0.00 55.97 53.12 1a4k s LYS 206 Cb -0.29 -0.55 -0.04 0.00 -1.05 0.00 0.00 37.83 35.91 1a4k s LYS 206 CO 0.35 -1.23 0.20 0.14 1.55 0.00 0.00 175.35 176.36 1a4k s VAL 207 N 1.34 3.20 -0.00 4.02 -7.23 -1.01 -4.97 120.40 115.75 1a4k s VAL 207 Ca 0.19 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1a4k s VAL 207 Cb -0.10 -3.05 -0.00 0.00 0.56 0.00 0.00 36.38 33.79 1a4k s VAL 207 CO -0.05 -0.18 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.73 1a4k s ASP 208 N -3.90 0.28 -0.06 4.85 1.01 -1.26 -0.70 116.67 116.89 1a4k s ASP 208 Ca 0.39 -0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.60 1a4k s ASP 208 Cb -0.04 -0.03 0.03 0.00 1.01 0.00 0.00 42.92 43.89 1a4k s ASP 208 CO 0.24 0.03 -0.00 -0.54 0.21 0.00 0.00 175.17 175.10 1a4k s LYS 209 N -0.05 0.58 0.15 8.23 -0.14 -0.82 -4.97 119.74 122.73 1a4k s LYS 209 Ca 0.01 0.07 -0.30 0.00 -1.36 0.00 0.00 55.97 54.39 1a4k s LYS 209 Cb -0.01 -0.87 -0.07 0.00 -1.68 0.00 0.00 37.83 35.20 1a4k s LYS 209 CO -0.00 -0.24 1.06 0.21 -0.76 0.00 0.00 175.35 175.61 1a4k s LYS 210 N 1.66 4.62 0.00 1.68 2.20 -1.26 -2.54 119.74 126.10 1a4k s LYS 210 Ca 0.00 1.63 0.21 0.00 -0.36 0.00 0.00 55.97 57.45 1a4k s LYS 210 Cb -0.13 -3.32 0.17 0.00 -1.51 0.00 0.00 37.83 33.04 1a4k s LYS 210 CO -0.04 0.11 1.16 0.28 -0.36 0.00 0.00 175.35 176.51