#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcp s LEU 9 N 0.00 4.43 -0.03 3.14 2.96 -1.18 -4.17 118.68 123.82 3kcp s LEU 9 Ca 0.00 2.70 0.03 0.00 -0.22 0.00 0.00 54.13 56.64 3kcp s LEU 9 Cb 0.00 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.16 3kcp s LEU 9 CO 0.00 -1.05 -0.10 -0.89 -1.32 0.00 0.00 176.35 172.99 3kcp s THR 10 N 4.16 0.87 -0.26 3.68 2.01 -0.12 -0.30 115.64 125.67 3kcp s THR 10 Ca 0.87 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 3kcp s THR 10 Cb -0.44 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.31 3kcp s THR 10 CO 0.41 0.27 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.38 3kcp s LEU 11 N 0.30 3.31 -0.18 4.42 2.96 0.74 -1.41 118.68 128.82 3kcp s LEU 11 Ca -0.05 -0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 53.14 3kcp s LEU 11 Cb -0.10 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.85 3kcp s LEU 11 CO 0.01 -0.12 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.01 3kcp s LYS 12 N 1.41 3.13 -0.07 1.98 2.20 -0.01 -1.26 119.74 127.12 3kcp s LYS 12 Ca 0.02 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 3kcp s LYS 12 Cb -0.16 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 3kcp s LYS 12 CO -0.02 -0.15 1.10 0.42 -0.36 0.00 0.00 175.35 176.34 3kcp s ILE 13 N 1.20 4.52 0.00 5.43 -1.09 0.49 -0.69 121.20 131.05 3kcp s ILE 13 Ca 0.02 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.25 3kcp s ILE 13 Cb -0.14 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 3kcp s ILE 13 CO -0.07 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 3kcp n GLY 14 N 3.21 -1.32 3.26 6.18 0.00 0.70 -3.23 105.19 114.00 3kcp n GLY 14 Ca 0.10 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 3kcp n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcp s ARG 15 N -2.91 1.10 0.21 1.61 0.52 -1.26 -1.31 118.95 116.90 3kcp s ARG 15 Ca 0.00 -1.09 -0.05 0.00 -0.52 0.00 0.00 55.73 54.07 3kcp s ARG 15 Cb 0.00 -1.29 -0.03 0.00 0.52 0.00 0.00 34.95 34.15 3kcp s ARG 15 CO 0.00 0.30 0.24 0.00 0.02 0.00 0.00 175.30 175.87 3kcp s ALA 16 N -1.13 0.63 -0.04 2.13 0.00 -0.80 -4.78 121.76 117.78 3kcp s ALA 16 Ca 0.05 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 3kcp s ALA 16 Cb -0.10 1.22 0.03 0.00 0.00 0.00 0.00 23.12 24.27 3kcp s ALA 16 CO 0.04 -0.67 0.07 -2.00 0.00 0.00 0.00 175.76 173.20 3kcp s GLU 17 N -4.09 0.02 0.27 0.00 2.12 -1.26 0.04 118.70 115.79 3kcp s GLU 17 Ca 0.31 0.25 -0.12 0.00 0.36 0.00 0.00 54.97 55.78 3kcp s GLU 17 Cb 0.04 -0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.23 3kcp s GLU 17 CO 0.10 -0.16 0.51 0.20 -0.54 0.00 0.00 175.26 175.36 3kcp s GLY 18 N 1.06 0.65 0.28 -1.50 0.00 -0.75 -4.95 107.32 102.11 3kcp s GLY 18 Ca -0.09 -0.95 0.10 0.00 0.00 0.00 0.00 44.72 43.78 3kcp s GLY 18 CO -0.04 -0.64 -0.00 0.50 0.00 0.00 0.00 173.10 172.92 3kcp s ARG 19 N -3.75 2.23 0.22 2.90 0.52 -1.26 -2.10 118.95 117.72 3kcp s ARG 19 Ca 0.23 -1.49 -0.32 0.00 -0.52 0.00 0.00 55.73 53.63 3kcp s ARG 19 Cb -0.01 -2.11 -0.14 0.00 0.52 0.00 0.00 34.95 33.21 3kcp s ARG 19 CO 0.11 0.31 1.34 -2.30 0.02 0.00 0.00 175.30 174.77 3kcp n PRO 20 N -0.91 1.76 0.00 3.54 -0.02 -1.26 -1.41 135.00 136.70 3kcp n PRO 20 Ca -0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kcp n PRO 20 Cb 0.60 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3kcp n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kcp n GLY 21 N 2.15 3.26 3.77 -1.23 0.00 0.61 -4.87 105.19 108.88 3kcp n GLY 21 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3kcp n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcp s ASP 22 N -0.88 6.33 -0.15 1.61 1.11 -0.50 -4.73 116.67 119.46 3kcp s ASP 22 Ca 0.00 2.23 -0.13 0.00 0.18 0.00 0.00 52.55 54.83 3kcp s ASP 22 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 3kcp s ASP 22 CO 0.00 -0.80 0.26 -0.89 1.18 0.00 0.00 175.17 174.92 3kcp s THR 23 N -1.58 5.32 0.12 -1.27 2.01 -1.26 -0.42 115.64 118.55 3kcp s THR 23 Ca 0.62 0.49 0.07 0.00 0.31 0.00 0.00 61.69 63.18 3kcp s THR 23 Cb -0.27 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3kcp s THR 23 CO 0.33 0.44 -0.17 0.68 -0.69 0.00 0.00 174.62 175.20 3kcp s VAL 24 N 0.17 1.53 -0.13 3.82 -7.23 0.10 -4.98 120.40 113.68 3kcp s VAL 24 Ca 0.16 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 3kcp s VAL 24 Cb -0.13 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.26 3kcp s VAL 24 CO 0.04 -0.27 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.73 3kcp s GLU 25 N -2.39 2.93 -0.27 4.82 2.02 -1.26 -1.05 118.70 123.50 3kcp s GLU 25 Ca 0.09 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.26 3kcp s GLU 25 Cb -0.07 -2.34 0.05 0.00 0.10 0.00 0.00 34.13 31.86 3kcp s GLU 25 CO 0.04 0.01 -0.07 0.42 0.02 0.00 0.00 175.26 175.69 3kcp s ILE 26 N 0.76 2.57 0.47 -1.63 1.09 0.86 -4.67 121.20 120.65 3kcp s ILE 26 Ca -0.09 -1.44 -0.20 0.00 -1.10 0.00 0.00 60.65 57.82 3kcp s ILE 26 Cb -0.16 -2.46 -0.09 0.00 -1.06 0.00 0.00 42.46 38.70 3kcp s ILE 26 CO -0.00 -0.01 1.01 -2.16 -0.10 0.00 0.00 174.94 173.68 3kcp s PRO 27 N 1.19 3.92 -0.21 2.79 0.04 -1.26 -0.24 135.00 141.22 3kcp s PRO 27 Ca -0.06 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.27 3kcp s PRO 27 Cb -0.19 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.26 3kcp s PRO 27 CO -0.04 -0.32 -0.16 0.08 0.04 0.00 0.00 177.00 176.60 3kcp s VAL 28 N -2.07 2.16 0.06 -0.36 1.01 0.66 -0.21 120.40 121.65 3kcp s VAL 28 Ca 0.65 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3kcp s VAL 28 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3kcp s VAL 28 CO 0.19 0.31 -0.00 0.20 0.00 0.00 0.00 175.10 175.79 3kcp s ASN 29 N 1.22 5.03 -0.07 3.32 0.01 0.14 -0.19 114.94 124.39 3kcp s ASN 29 Ca -0.00 -0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.05 3kcp s ASN 29 Cb -0.16 -1.23 -0.02 0.00 0.41 0.00 0.00 41.25 40.26 3kcp s ASN 29 CO -0.09 0.21 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.75 3kcp s LEU 30 N -2.07 2.38 0.16 0.60 1.43 -0.23 -0.83 118.68 120.12 3kcp s LEU 30 Ca 0.24 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3kcp s LEU 30 Cb -0.12 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3kcp s LEU 30 CO 0.16 0.25 -0.16 -0.31 0.23 0.00 0.00 176.35 176.52 3kcp s TYR 31 N -0.19 1.68 -1.36 0.29 2.02 -0.50 -1.06 117.35 118.23 3kcp s TYR 31 Ca -0.02 -0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 56.09 3kcp s TYR 31 Cb -0.13 -0.83 0.01 0.00 -0.40 0.00 0.00 41.96 40.60 3kcp s TYR 31 CO 0.03 0.29 0.96 0.41 -1.57 0.00 0.00 175.55 175.67 3kcp n GLY 32 N 0.17 -0.47 3.72 0.71 0.00 -1.26 -0.95 105.19 107.11 3kcp n GLY 32 Ca -0.12 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3kcp n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcp s VAL 33 N -3.26 2.96 0.73 1.61 1.01 -1.26 -3.12 120.40 119.07 3kcp s VAL 33 Ca 0.48 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.98 3kcp s VAL 33 Cb -0.21 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.77 3kcp s VAL 33 CO 0.59 0.05 1.20 -2.16 0.00 0.00 0.00 175.10 174.78 3kcp s PRO 34 N 1.20 2.18 0.26 2.72 0.04 -1.26 -4.87 135.00 135.27 3kcp s PRO 34 Ca 0.68 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 3kcp s PRO 34 Cb -0.40 -1.84 0.48 0.00 0.04 0.00 0.00 34.50 32.78 3kcp s PRO 34 CO 0.31 -1.79 1.81 1.96 0.04 0.00 0.00 177.00 179.32 3kcp h GLN 35 N -0.28 0.79 0.00 4.56 1.08 -1.92 0.14 115.11 119.48 3kcp h GLN 35 Ca -0.48 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 3kcp h GLN 35 Cb 1.29 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 3kcp h GLN 35 CO 0.50 0.52 0.00 1.17 -0.95 0.00 0.00 178.83 180.07 3kcp n LYS 36 N -4.73 0.04 -0.11 1.46 3.00 -1.26 -4.99 118.16 111.57 3kcp n LYS 36 Ca 0.16 0.53 0.01 0.00 -0.00 0.00 0.00 58.31 59.01 3kcp n LYS 36 Cb 0.34 -1.64 -0.01 0.00 0.00 0.00 0.00 35.03 33.73 3kcp n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kcp n GLY 37 N -1.34 -2.37 3.36 3.14 0.00 0.48 -4.10 105.19 104.36 3kcp n GLY 37 Ca -0.00 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 3kcp n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcp s ILE 38 N -2.64 3.36 -0.06 -0.61 -1.09 0.22 -3.81 121.20 116.57 3kcp s ILE 38 Ca 0.00 -0.52 0.18 0.00 -2.23 0.00 0.00 60.65 58.07 3kcp s ILE 38 Cb 0.00 -2.48 -0.27 0.00 -1.58 0.00 0.00 42.46 38.13 3kcp s ILE 38 CO 0.00 0.47 0.32 0.00 -1.23 0.00 0.00 174.94 174.50 3kcp n ALA 39 N 4.14 2.43 -3.05 9.38 0.00 0.16 0.38 120.51 133.95 3kcp n ALA 39 Ca -0.18 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 3kcp n ALA 39 Cb 0.52 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 3kcp n ALA 39 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kcp s SER 40 N -4.31 -0.21 -0.11 0.00 1.04 -1.04 0.35 113.70 109.42 3kcp s SER 40 Ca -0.07 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 3kcp s SER 40 Cb 0.10 0.41 0.12 0.00 0.10 0.00 0.00 66.02 66.75 3kcp s SER 40 CO 0.74 -0.69 0.96 -0.83 0.98 0.00 0.00 173.24 174.40 3kcp s GLY 41 N -2.23 -0.34 -0.13 7.32 0.00 -0.24 -1.46 107.32 110.25 3kcp s GLY 41 Ca -0.03 1.67 -0.09 0.00 0.00 0.00 0.00 44.72 46.28 3kcp s GLY 41 CO -0.05 0.80 0.32 0.51 0.00 0.00 0.00 173.10 174.68 3kcp s ASP 42 N -1.57 -0.36 0.28 1.64 -4.77 -1.01 -0.78 116.67 110.09 3kcp s ASP 42 Ca 0.00 0.68 -0.18 0.00 -3.30 0.00 0.00 52.55 49.75 3kcp s ASP 42 Cb -0.01 0.61 0.01 0.00 -1.09 0.00 0.00 42.92 42.45 3kcp s ASP 42 CO -0.02 -0.15 0.65 0.72 0.70 0.00 0.00 175.17 177.07 3kcp s PHE 43 N 0.85 0.00 -0.04 2.11 -0.12 -0.91 -0.55 117.98 119.33 3kcp s PHE 43 Ca -0.06 -0.44 0.03 0.00 -0.05 0.00 0.00 56.93 56.41 3kcp s PHE 43 Cb -0.06 0.56 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 3kcp s PHE 43 CO -0.06 -1.19 -0.11 0.08 -0.05 0.00 0.00 175.22 173.89 3kcp s VAL 44 N -3.85 1.00 -0.06 -2.49 1.01 0.75 -0.19 120.40 116.57 3kcp s VAL 44 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3kcp s VAL 44 Cb -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3kcp s VAL 44 CO 0.08 0.31 -0.04 -0.69 0.00 0.00 0.00 175.10 174.76 3kcp s VAL 45 N 0.35 3.94 0.09 2.92 1.01 -0.01 -0.53 120.40 128.17 3kcp s VAL 45 Ca -0.07 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3kcp s VAL 45 Cb -0.12 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3kcp s VAL 45 CO 0.02 0.55 -0.07 -0.94 0.00 0.00 0.00 175.10 174.66 3kcp s SER 46 N -0.99 4.60 0.33 3.32 1.04 0.82 0.04 113.70 122.86 3kcp s SER 46 Ca 0.14 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3kcp s SER 46 Cb -0.11 -0.96 -0.01 0.00 0.10 0.00 0.00 66.02 65.04 3kcp s SER 46 CO 0.03 0.18 0.40 -0.72 0.98 0.00 0.00 173.24 174.12 3kcp s TYR 47 N -1.23 1.26 -0.38 5.02 -0.85 -0.91 -1.96 117.35 118.29 3kcp s TYR 47 Ca 0.22 -1.40 -0.06 0.00 -0.52 0.00 0.00 57.07 55.32 3kcp s TYR 47 Cb -0.11 -0.28 0.07 0.00 0.38 0.00 0.00 41.96 42.02 3kcp s TYR 47 CO 0.15 -1.04 0.18 0.34 -1.52 0.00 0.00 175.55 173.66 3kcp s ASP 48 N -3.27 5.38 0.00 -0.18 -1.08 -1.26 -4.77 116.67 111.48 3kcp s ASP 48 Ca 0.34 -1.53 0.27 0.00 -0.52 0.00 0.00 52.55 51.11 3kcp s ASP 48 Cb 0.01 -1.89 1.52 0.00 -1.46 0.00 0.00 42.92 41.10 3kcp s ASP 48 CO 0.22 -0.46 1.95 -0.81 0.52 0.00 0.00 175.17 176.59 3kcp n PRO 49 N 4.78 0.68 -0.02 4.34 -0.05 -1.26 -0.69 135.00 142.77 3kcp n PRO 49 Ca -0.09 0.01 -0.10 0.00 -0.05 0.00 0.00 63.50 63.28 3kcp n PRO 49 Cb 0.43 -1.50 0.06 0.00 -0.05 0.00 0.00 33.50 32.43 3kcp n PRO 49 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 3kcp h ASN 50 N 0.00 0.69 0.04 3.54 2.35 -1.97 -3.37 115.58 116.86 3kcp h ASN 50 Ca 0.00 -0.34 -0.31 0.00 -0.55 0.00 0.00 56.30 55.10 3kcp h ASN 50 Cb 0.09 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 3kcp h ASN 50 CO 0.00 1.05 -1.73 0.52 -1.65 0.00 0.00 177.43 175.63 3kcp n VAL 51 N -4.00 1.61 -5.11 2.81 0.31 -0.32 -4.59 118.33 109.04 3kcp n VAL 51 Ca -0.03 -0.30 -0.32 0.00 -0.01 0.00 0.00 64.34 63.68 3kcp n VAL 51 Cb 0.57 -1.89 -0.15 0.00 -0.91 0.00 0.00 33.84 31.45 3kcp n VAL 51 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3kcp s LEU 52 N -7.49 2.31 -0.32 7.52 1.43 0.14 -0.45 118.68 121.82 3kcp s LEU 52 Ca -0.28 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 3kcp s LEU 52 Cb 0.07 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 3kcp s LEU 52 CO 0.63 0.25 0.17 -0.70 0.23 0.00 0.00 176.35 176.94 3kcp s GLU 53 N -0.17 3.40 0.02 1.70 2.12 0.08 -4.25 118.70 121.59 3kcp s GLU 53 Ca -0.02 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 3kcp s GLU 53 Cb -0.14 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 3kcp s GLU 53 CO 0.04 -0.41 1.24 0.42 -0.54 0.00 0.00 175.26 176.01 3kcp s ILE 54 N 1.64 4.02 -0.19 -3.70 -1.09 -1.26 -0.99 121.20 119.63 3kcp s ILE 54 Ca 0.05 1.41 -0.16 0.00 -2.23 0.00 0.00 60.65 59.72 3kcp s ILE 54 Cb -0.17 -3.91 -0.11 0.00 -1.58 0.00 0.00 42.46 36.69 3kcp s ILE 54 CO 0.07 0.06 -0.05 -0.38 -1.23 0.00 0.00 174.94 173.41 3kcp n ILE 55 N 4.27 1.49 -3.64 2.92 2.08 0.20 -4.95 119.36 121.72 3kcp n ILE 55 Ca 0.10 0.04 -0.08 0.00 0.56 0.00 0.00 62.75 63.38 3kcp n ILE 55 Cb 0.46 -2.18 -0.02 0.00 -0.75 0.00 0.00 39.64 37.14 3kcp n ILE 55 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3kcp s GLU 56 N -2.38 1.29 -0.23 0.38 -1.05 -1.11 -5.04 118.70 110.55 3kcp s GLU 56 Ca -0.25 -0.62 -0.01 0.00 -0.15 0.00 0.00 54.97 53.94 3kcp s GLU 56 Cb 0.05 0.50 0.02 0.00 -0.44 0.00 0.00 34.13 34.26 3kcp s GLU 56 CO 0.42 -0.58 -0.08 0.42 0.95 0.00 0.00 175.26 176.39 3kcp s ILE 57 N -3.53 2.82 0.02 1.83 1.09 -1.26 -1.29 121.20 120.87 3kcp s ILE 57 Ca 0.07 -0.92 -0.23 0.00 -1.10 0.00 0.00 60.65 58.47 3kcp s ILE 57 Cb -0.02 -2.37 -0.05 0.00 -1.06 0.00 0.00 42.46 38.96 3kcp s ILE 57 CO -0.03 0.30 0.69 -1.61 -0.10 0.00 0.00 174.94 174.19 3kcp s GLU 58 N 1.34 4.42 0.32 2.79 2.02 -0.06 -4.89 118.70 124.64 3kcp s GLU 58 Ca 0.02 0.92 -0.29 0.00 0.02 0.00 0.00 54.97 55.64 3kcp s GLU 58 Cb -0.16 -3.36 -0.11 0.00 0.10 0.00 0.00 34.13 30.60 3kcp s GLU 58 CO -0.06 0.30 1.47 -1.25 0.02 0.00 0.00 175.26 175.74 3kcp s PRO 59 N -0.04 4.20 0.94 0.39 0.04 -1.26 -0.78 135.00 138.49 3kcp s PRO 59 Ca 0.35 2.44 -0.15 0.00 0.04 0.00 0.00 61.00 63.68 3kcp s PRO 59 Cb -0.19 -3.03 0.18 0.00 0.04 0.00 0.00 34.50 31.49 3kcp s PRO 59 CO 0.20 -0.46 1.29 0.20 0.04 0.00 0.00 177.00 178.27 3kcp s GLY 60 N 0.06 1.74 0.51 0.56 0.00 0.08 -4.75 107.32 105.53 3kcp s GLY 60 Ca 0.56 -1.09 0.23 0.00 0.00 0.00 0.00 44.72 44.41 3kcp s GLY 60 CO 0.53 -0.37 2.01 1.05 0.00 0.00 0.00 173.10 176.31 3kcp h GLU 61 N -1.55 0.06 0.00 2.90 4.11 -1.75 -0.04 114.58 118.31 3kcp h GLU 61 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3kcp h GLU 61 Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3kcp h GLU 61 CO 0.43 0.04 0.00 1.28 0.07 0.00 0.00 179.01 180.83 3kcp n LEU 62 N -4.41 0.48 -4.45 3.06 4.77 -0.91 -4.53 117.00 111.01 3kcp n LEU 62 Ca 0.09 0.65 -0.44 0.00 -0.03 0.00 0.00 56.01 56.28 3kcp n LEU 62 Cb 0.53 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 3kcp n LEU 62 CO 0.36 -0.62 0.38 -0.63 -1.33 0.00 0.00 177.39 175.56 3kcp s ILE 63 N -3.31 4.82 -2.05 -0.08 -1.09 -0.03 -4.67 121.20 114.79 3kcp s ILE 63 Ca 0.02 -0.47 0.18 0.00 -2.23 0.00 0.00 60.65 58.15 3kcp s ILE 63 Cb 0.08 -4.35 0.10 0.00 -1.58 0.00 0.00 42.46 36.71 3kcp s ILE 63 CO 0.28 -0.88 1.02 1.33 -1.23 0.00 0.00 174.94 175.46 3kcp n VAL 64 N 5.66 0.00 -1.67 2.92 0.24 -1.26 -4.90 118.33 119.33 3kcp n VAL 64 Ca -0.06 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 3kcp n VAL 64 Cb 0.45 1.33 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 3kcp n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kcp s ASP 65 N -1.62 6.43 0.50 -1.34 -1.08 -1.26 -4.88 116.67 113.42 3kcp s ASP 65 Ca 0.19 2.71 0.26 0.00 -0.52 0.00 0.00 52.55 55.19 3kcp s ASP 65 Cb 0.15 -2.54 1.34 0.00 -1.46 0.00 0.00 42.92 40.41 3kcp s ASP 65 CO 0.28 -1.05 1.90 -0.65 0.52 0.00 0.00 175.17 176.17 3kcp h PRO 66 N 10.22 0.12 -3.57 4.34 0.11 -2.02 -2.54 132.00 138.68 3kcp h PRO 66 Ca -0.49 -0.01 -0.73 0.00 0.11 0.00 0.00 66.00 64.88 3kcp h PRO 66 Cb 1.24 -0.03 -0.33 0.00 0.11 0.00 0.00 31.00 31.99 3kcp h PRO 66 CO 0.94 0.08 -0.14 -0.80 -0.21 0.00 0.00 178.00 177.87 3kcp s ASN 67 N -5.74 5.89 0.47 -2.05 0.01 -1.26 -4.97 114.94 107.28 3kcp s ASN 67 Ca -0.06 -3.07 0.15 0.00 -0.71 0.00 0.00 52.86 49.16 3kcp s ASN 67 Cb 0.22 -1.97 1.12 0.00 0.41 0.00 0.00 41.25 41.02 3kcp s ASN 67 CO 0.77 -0.37 2.05 1.55 -1.51 0.00 0.00 177.10 179.59 3kcp h PRO 68 N 6.94 0.25 0.00 -0.60 0.13 -1.82 -0.32 132.00 136.58 3kcp h PRO 68 Ca 0.07 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3kcp h PRO 68 Cb 0.94 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 3kcp h PRO 68 CO 0.77 0.17 -0.05 0.00 -0.23 0.00 0.00 178.00 178.66 3kcp h THR 69 N 0.26 0.61 0.00 1.56 1.03 -1.89 0.28 112.91 114.77 3kcp h THR 69 Ca 0.16 -0.19 -0.08 0.00 -0.01 0.00 0.00 66.41 66.29 3kcp h THR 69 Cb 0.31 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.50 3kcp h THR 69 CO -0.03 0.05 -0.36 0.11 -0.01 0.00 0.00 175.52 175.27 3kcp h LYS 70 N 0.00 0.00 0.00 0.00 1.79 -1.44 -3.31 116.57 113.61 3kcp h LYS 70 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 3kcp h LYS 70 Cb 0.12 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 3kcp h LYS 70 CO 0.01 0.36 -1.91 0.43 -1.08 0.00 0.00 179.45 177.26 3kcp n SER 71 N -3.78 1.47 -3.80 0.86 7.64 -0.49 -4.59 113.62 110.93 3kcp n SER 71 Ca -0.01 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.61 3kcp n SER 71 Cb 0.44 1.08 -0.17 0.00 -1.01 0.00 0.00 64.21 64.55 3kcp n SER 71 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3kcp s PHE 72 N -2.54 1.10 0.05 1.43 5.36 0.88 -0.80 117.98 123.46 3kcp s PHE 72 Ca -0.07 -0.63 -0.03 0.00 -0.96 0.00 0.00 56.93 55.24 3kcp s PHE 72 Cb 0.06 -1.03 -0.03 0.00 -0.34 0.00 0.00 43.02 41.68 3kcp s PHE 72 CO 0.60 -0.49 0.02 0.34 -1.46 0.00 0.00 175.22 174.23 3kcp s ASP 73 N 1.83 0.34 0.16 6.13 -1.08 -0.70 -3.97 116.67 119.39 3kcp s ASP 73 Ca 0.02 -0.77 0.07 0.00 -0.52 0.00 0.00 52.55 51.35 3kcp s ASP 73 Cb -0.14 0.21 -0.04 0.00 -1.46 0.00 0.00 42.92 41.48 3kcp s ASP 73 CO -0.07 -0.55 -0.16 0.42 0.52 0.00 0.00 175.17 175.34 3kcp s THR 74 N -3.22 1.63 -0.12 1.71 -4.23 -1.26 -0.43 115.64 109.72 3kcp s THR 74 Ca 0.00 -1.96 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3kcp s THR 74 Cb 0.03 -1.82 0.04 0.00 1.34 0.00 0.00 72.50 72.09 3kcp s THR 74 CO -0.07 -0.45 0.03 0.00 -0.54 0.00 0.00 174.62 173.59 3kcp s ALA 75 N -2.42 0.69 -0.18 3.99 0.00 -0.42 -4.95 121.76 118.47 3kcp s ALA 75 Ca 0.16 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.69 3kcp s ALA 75 Cb -0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3kcp s ALA 75 CO 0.05 -0.77 0.40 0.08 0.00 0.00 0.00 175.76 175.52 3kcp s VAL 76 N 1.99 5.21 -0.57 0.00 1.01 -1.26 -0.68 120.40 126.11 3kcp s VAL 76 Ca 0.03 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.78 3kcp s VAL 76 Cb -0.14 -3.73 0.16 0.00 0.00 0.00 0.00 36.38 32.66 3kcp s VAL 76 CO -0.06 0.29 0.37 -0.31 0.00 0.00 0.00 175.10 175.39 3kcp s TYR 77 N 1.03 2.75 0.30 5.22 2.02 0.15 -4.99 117.35 123.83 3kcp s TYR 77 Ca 0.20 -2.95 0.01 0.00 -0.37 0.00 0.00 57.07 53.97 3kcp s TYR 77 Cb -0.14 -2.25 0.55 0.00 -0.40 0.00 0.00 41.96 39.72 3kcp s TYR 77 CO 0.08 -0.68 1.89 -1.35 -1.57 0.00 0.00 175.55 173.92 3kcp h PRO 78 N 5.91 0.98 0.00 -1.71 0.11 -1.96 -0.11 132.00 135.22 3kcp h PRO 78 Ca 0.09 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 3kcp h PRO 78 Cb 0.84 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3kcp h PRO 78 CO 0.60 0.65 -0.24 0.38 -0.21 0.00 0.00 178.00 179.18 3kcp h ASP 79 N 1.01 0.00 0.27 -2.05 2.03 -1.95 -1.34 116.42 114.39 3kcp h ASP 79 Ca 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 3kcp h ASP 79 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 3kcp h ASP 79 CO -0.18 0.24 -0.45 0.54 -1.03 0.00 0.00 179.24 178.36 3kcp n ARG 80 N -3.99 0.50 -3.32 4.15 1.74 -0.48 -4.97 116.66 110.29 3kcp n ARG 80 Ca -0.02 -0.33 -0.23 0.00 -0.77 0.00 0.00 57.85 56.50 3kcp n ARG 80 Cb 0.31 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.32 3kcp n ARG 80 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kcp n LYS 81 N -0.96 -6.48 -3.88 5.56 5.02 -0.18 -4.99 118.16 112.26 3kcp n LYS 81 Ca 0.09 0.84 -0.11 0.00 -2.02 0.00 0.00 58.31 57.10 3kcp n LYS 81 Cb 0.36 -5.74 -0.12 0.00 -0.02 0.00 0.00 35.03 29.51 3kcp n LYS 81 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3kcp s MET 82 N -6.02 0.21 -0.16 1.97 -1.94 -0.98 -2.14 119.30 110.24 3kcp s MET 82 Ca 0.45 -0.16 0.02 0.00 -1.71 0.00 0.00 55.69 54.29 3kcp s MET 82 Cb -0.20 0.08 0.02 0.00 2.01 0.00 0.00 34.83 36.74 3kcp s MET 82 CO 0.56 -0.04 -0.20 0.42 -0.01 0.00 0.00 175.02 175.75 3kcp s ILE 83 N -0.56 1.99 -0.26 2.53 1.01 0.11 -0.67 121.20 125.35 3kcp s ILE 83 Ca -0.06 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 3kcp s ILE 83 Cb -0.04 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3kcp s ILE 83 CO 0.00 0.53 0.57 -0.69 0.00 0.00 0.00 174.94 175.35 3kcp s VAL 84 N 1.12 5.03 -0.16 2.92 1.01 0.15 -0.83 120.40 129.64 3kcp s VAL 84 Ca 0.00 0.99 -0.06 0.00 0.00 0.00 0.00 61.98 62.92 3kcp s VAL 84 Cb -0.14 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3kcp s VAL 84 CO -0.08 0.06 0.03 -0.36 0.00 0.00 0.00 175.10 174.75 3kcp s PHE 85 N 2.39 3.20 -0.05 5.22 0.08 0.74 -1.30 117.98 128.26 3kcp s PHE 85 Ca 0.23 0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.31 3kcp s PHE 85 Cb -0.16 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 3kcp s PHE 85 CO 0.09 0.16 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.78 3kcp s LEU 86 N 0.20 1.54 -0.06 -0.37 1.43 0.42 -2.13 118.68 119.71 3kcp s LEU 86 Ca 0.03 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3kcp s LEU 86 Cb -0.13 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.52 3kcp s LEU 86 CO 0.01 0.00 -0.15 0.12 0.23 0.00 0.00 176.35 176.56 3kcp s PHE 87 N 0.65 1.63 -0.27 0.29 5.36 0.04 -1.71 117.98 123.97 3kcp s PHE 87 Ca -0.11 -0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 55.30 3kcp s PHE 87 Cb -0.13 -1.15 0.15 0.00 -0.34 0.00 0.00 43.02 41.55 3kcp s PHE 87 CO 0.01 -0.25 0.41 0.00 -1.46 0.00 0.00 175.22 173.94 3kcp s ALA 88 N 0.40 -1.27 -0.39 11.12 0.00 0.02 -1.07 121.76 130.57 3kcp s ALA 88 Ca -0.11 0.74 -0.42 0.00 0.00 0.00 0.00 51.96 52.17 3kcp s ALA 88 Cb -0.14 -1.89 -0.17 0.00 0.00 0.00 0.00 23.12 20.92 3kcp s ALA 88 CO 0.04 -1.46 1.81 -1.91 0.00 0.00 0.00 175.76 174.23 3kcp n GLU 89 N 5.37 0.61 0.00 0.00 0.00 0.16 -4.37 120.64 122.40 3kcp n GLU 89 Ca -0.02 0.21 0.14 0.00 0.00 0.00 0.00 57.16 57.50 3kcp n GLU 89 Cb 0.50 -1.86 0.61 0.00 0.00 0.00 0.00 31.44 30.69 3kcp n GLU 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3kcp n ASP 90 N 5.76 0.93 0.08 4.31 2.03 -1.26 -3.92 116.55 124.48 3kcp n ASP 90 Ca 0.34 -1.14 -0.09 0.00 0.52 0.00 0.00 54.79 54.42 3kcp n ASP 90 Cb 0.05 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 3kcp n ASP 90 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kcp h SER 91 N 1.38 0.20 0.00 1.67 4.64 -1.95 -3.47 113.55 116.02 3kcp h SER 91 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3kcp h SER 91 Cb 0.37 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kcp h SER 91 CO 0.00 1.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 3kcp n GLY 92 N 1.07 0.74 0.00 -0.77 0.00 -1.25 -4.84 105.19 100.14 3kcp n GLY 92 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kcp n GLY 92 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcp n THR 93 N -2.04 0.15 -0.19 2.61 -2.24 -1.26 -5.00 114.28 106.31 3kcp n THR 93 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3kcp n THR 93 Cb 0.00 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3kcp n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcp n GLY 94 N -0.08 0.66 0.21 3.38 0.00 -1.26 -4.97 105.19 103.14 3kcp n GLY 94 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3kcp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcp h ALA 95 N 0.00 1.43 -0.25 4.61 0.00 -1.94 -2.50 119.26 120.61 3kcp h ALA 95 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kcp h ALA 95 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kcp h ALA 95 CO 0.00 0.36 -0.00 0.66 0.00 0.00 0.00 179.25 180.27 3kcp n TYR 96 N -4.06 0.91 -2.00 0.00 4.01 -1.26 -4.98 117.16 109.79 3kcp n TYR 96 Ca -0.02 -0.93 -0.37 0.00 -0.16 0.00 0.00 57.90 56.41 3kcp n TYR 96 Cb 0.35 -0.32 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 3kcp n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kcp s ALA 97 N -2.86 2.79 -0.07 -0.72 0.00 -0.94 -4.62 121.76 115.32 3kcp s ALA 97 Ca 0.42 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 3kcp s ALA 97 Cb 0.34 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3kcp s ALA 97 CO 0.08 -1.09 1.16 0.42 0.00 0.00 0.00 175.76 176.33 3kcp s ILE 98 N -1.46 4.36 0.00 0.00 1.01 0.16 -4.78 121.20 120.50 3kcp s ILE 98 Ca 0.71 1.67 0.00 0.00 0.00 0.00 0.00 60.65 63.03 3kcp s ILE 98 Cb -0.34 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.05 3kcp s ILE 98 CO 0.39 -0.01 0.01 0.35 0.00 0.00 0.00 174.94 175.68 3kcp n THR 99 N 4.64 0.00 -4.12 2.92 -2.24 -1.26 0.70 114.28 114.92 3kcp n THR 99 Ca 0.11 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.25 3kcp n THR 99 Cb 0.47 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.58 3kcp n THR 99 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kcp s GLU 100 N -0.98 0.70 0.60 -0.78 2.02 -1.26 -4.87 118.70 114.12 3kcp s GLU 100 Ca 0.00 -0.95 -0.19 0.00 0.02 0.00 0.00 54.97 53.85 3kcp s GLU 100 Cb 0.00 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.74 3kcp s GLU 100 CO 0.00 0.08 1.23 -0.51 0.02 0.00 0.00 175.26 176.08 3kcp s ASP 101 N -1.97 5.12 0.00 -0.19 1.11 -1.26 -4.87 116.67 114.62 3kcp s ASP 101 Ca -0.02 2.45 0.00 0.00 0.18 0.00 0.00 52.55 55.16 3kcp s ASP 101 Cb -0.07 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.32 3kcp s ASP 101 CO 0.00 -1.64 0.00 0.61 1.18 0.00 0.00 175.17 175.32 3kcp n GLY 102 N 0.59 -0.10 3.63 0.21 0.00 -0.22 -5.01 105.19 104.29 3kcp n GLY 102 Ca 0.14 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 3kcp n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcp s VAL 103 N -2.96 4.34 0.04 1.61 1.01 -1.26 -1.07 120.40 122.12 3kcp s VAL 103 Ca 0.00 1.50 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 3kcp s VAL 103 Cb 0.00 -4.41 -0.34 0.00 0.00 0.00 0.00 36.38 31.63 3kcp s VAL 103 CO 0.00 -0.63 1.03 0.15 0.00 0.00 0.00 175.10 175.66 3kcp h PHE 104 N 8.68 0.84 -2.66 5.22 3.57 -0.90 -2.32 116.94 129.36 3kcp h PHE 104 Ca -0.22 -0.61 0.04 0.00 3.53 0.00 0.00 57.97 60.71 3kcp h PHE 104 Cb 1.07 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 39.64 3kcp h PHE 104 CO 0.88 1.49 0.34 0.00 -2.23 0.00 0.00 178.31 178.79 3kcp s ALA 105 N -2.62 -1.70 -0.18 2.41 0.00 -1.02 -0.74 121.76 117.92 3kcp s ALA 105 Ca -0.08 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.61 3kcp s ALA 105 Cb 0.05 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.87 3kcp s ALA 105 CO 0.93 -0.74 -0.14 0.99 0.00 0.00 0.00 175.76 176.80 3kcp s THR 106 N -3.46 1.73 -0.33 0.00 2.01 0.04 -0.24 115.64 115.39 3kcp s THR 106 Ca 0.03 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 3kcp s THR 106 Cb -0.01 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.83 3kcp s THR 106 CO -0.11 0.35 1.07 -0.63 -0.69 0.00 0.00 174.62 174.61 3kcp s ILE 107 N 1.39 4.49 -0.28 1.82 1.01 0.67 -0.88 121.20 129.41 3kcp s ILE 107 Ca 0.02 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.23 3kcp s ILE 107 Cb -0.14 -4.43 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 3kcp s ILE 107 CO -0.10 -0.52 0.21 -0.69 0.00 0.00 0.00 174.94 173.84 3kcp s VAL 108 N 3.70 5.30 0.02 2.92 1.01 -0.41 -0.10 120.40 132.84 3kcp s VAL 108 Ca 0.45 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.64 3kcp s VAL 108 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3kcp s VAL 108 CO 0.17 0.23 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 3kcp s ALA 109 N 1.79 0.38 -0.21 5.51 0.00 -0.21 -0.63 121.76 128.38 3kcp s ALA 109 Ca 0.08 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 3kcp s ALA 109 Cb -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 3kcp s ALA 109 CO 0.11 0.01 0.25 0.21 0.00 0.00 0.00 175.76 176.34 3kcp s LYS 110 N -0.84 4.16 0.07 0.00 2.20 -0.16 0.01 119.74 125.17 3kcp s LYS 110 Ca -0.05 -0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.20 3kcp s LYS 110 Cb -0.06 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 3kcp s LYS 110 CO -0.00 0.10 1.29 0.08 -0.36 0.00 0.00 175.35 176.46 3kcp s VAL 111 N 0.92 3.74 0.46 4.02 1.01 0.44 -0.74 120.40 130.25 3kcp s VAL 111 Ca 0.13 1.23 -0.22 0.00 0.00 0.00 0.00 61.98 63.12 3kcp s VAL 111 Cb -0.13 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 3kcp s VAL 111 CO 0.04 0.08 1.10 -0.54 0.00 0.00 0.00 175.10 175.78 3kcp s LYS 112 N 1.29 3.81 0.29 2.72 1.02 0.40 -0.28 119.74 128.99 3kcp s LYS 112 Ca 0.61 1.57 0.04 0.00 0.02 0.00 0.00 55.97 58.22 3kcp s LYS 112 Cb -0.32 -2.29 0.71 0.00 -0.52 0.00 0.00 37.83 35.40 3kcp s LYS 112 CO 0.29 -0.46 1.76 0.93 -0.92 0.00 0.00 175.35 176.94 3kcp h GLU 113 N 1.90 0.64 -2.04 1.68 5.08 -1.90 -1.96 114.58 117.98 3kcp h GLU 113 Ca -0.49 -0.04 -0.55 0.00 -1.00 0.00 0.00 59.36 57.28 3kcp h GLU 113 Cb 1.23 -0.15 -0.41 0.00 0.50 0.00 0.00 28.75 29.93 3kcp h GLU 113 CO 0.60 0.43 -0.83 0.41 -1.00 0.00 0.00 179.01 178.62 3kcp n GLY 114 N -1.33 4.92 3.85 -3.84 0.00 -1.26 -4.59 105.19 102.94 3kcp n GLY 114 Ca 0.22 -2.42 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 3kcp n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcp s ALA 115 N -3.20 3.51 0.68 4.61 0.00 -0.74 -5.05 121.76 121.57 3kcp s ALA 115 Ca 0.45 -0.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 3kcp s ALA 115 Cb 0.32 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.86 3kcp s ALA 115 CO -0.12 0.43 1.27 -0.35 0.00 0.00 0.00 175.76 176.99 3kcp n PRO 116 N 0.39 0.93 -2.28 0.00 -0.04 -1.26 -4.90 135.00 127.84 3kcp n PRO 116 Ca -0.02 0.38 -0.26 0.00 -0.04 0.00 0.00 63.50 63.56 3kcp n PRO 116 Cb 0.52 -2.51 0.11 0.00 -0.04 0.00 0.00 33.50 31.58 3kcp n PRO 116 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kcp s GLU 117 N -3.51 1.58 0.00 0.54 2.02 -1.26 -4.93 118.70 113.14 3kcp s GLU 117 Ca 0.81 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.18 3kcp s GLU 117 Cb -0.36 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.72 3kcp s GLU 117 CO 0.42 -1.63 0.00 0.41 0.02 0.00 0.00 175.26 174.48 3kcp n GLY 118 N -3.11 1.71 3.65 -1.39 0.00 0.18 -4.96 105.19 101.27 3kcp n GLY 118 Ca 0.13 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 3kcp n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kcp s PHE 119 N -2.06 2.30 -0.42 1.61 5.36 -1.26 -1.74 117.98 121.77 3kcp s PHE 119 Ca 0.00 0.55 -0.13 0.00 -0.96 0.00 0.00 56.93 56.39 3kcp s PHE 119 Cb 0.00 -3.81 0.04 0.00 -0.34 0.00 0.00 43.02 38.92 3kcp s PHE 119 CO 0.00 -2.90 0.29 0.45 -1.46 0.00 0.00 175.22 171.61 3kcp s SER 120 N 3.12 5.95 0.31 6.13 0.15 0.81 -4.94 113.70 125.23 3kcp s SER 120 Ca 0.67 -1.13 -0.29 0.00 0.70 0.00 0.00 55.95 55.90 3kcp s SER 120 Cb -0.27 -2.10 -0.10 0.00 -1.71 0.00 0.00 66.02 61.83 3kcp s SER 120 CO 0.25 -0.50 1.25 0.00 1.20 0.00 0.00 173.24 175.44 3kcp s ALA 121 N 1.60 3.48 -0.23 5.45 0.00 -1.26 -1.11 121.76 129.68 3kcp s ALA 121 Ca 0.04 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.16 3kcp s ALA 121 Cb -0.21 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.51 3kcp s ALA 121 CO 0.07 -0.51 -0.12 0.42 0.00 0.00 0.00 175.76 175.62 3kcp s ILE 122 N -1.03 2.36 -0.02 0.00 1.01 0.52 -4.26 121.20 119.79 3kcp s ILE 122 Ca 0.48 -1.22 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3kcp s ILE 122 Cb -0.38 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3kcp s ILE 122 CO 0.49 0.22 -0.21 -1.61 0.00 0.00 0.00 174.94 173.83 3kcp s GLU 123 N 1.23 1.72 -0.60 2.79 2.02 -0.83 -1.16 118.70 123.87 3kcp s GLU 123 Ca -0.02 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 53.95 3kcp s GLU 123 Cb -0.17 -1.66 0.01 0.00 0.10 0.00 0.00 34.13 32.41 3kcp s GLU 123 CO -0.07 0.45 1.52 0.42 0.02 0.00 0.00 175.26 177.60 3kcp s ILE 124 N -0.49 3.65 -0.18 -1.63 1.01 -1.26 -0.12 121.20 122.17 3kcp s ILE 124 Ca 0.08 0.49 0.21 0.00 0.00 0.00 0.00 60.65 61.43 3kcp s ILE 124 Cb -0.08 -4.36 -0.10 0.00 0.01 0.00 0.00 42.46 37.93 3kcp s ILE 124 CO -0.01 -1.20 0.87 -1.54 0.00 0.00 0.00 174.94 173.07 3kcp n SER 125 N 10.39 0.66 -3.78 3.58 3.41 0.30 -4.87 113.62 123.32 3kcp n SER 125 Ca 0.13 0.26 -0.13 0.00 -0.26 0.00 0.00 58.87 58.88 3kcp n SER 125 Cb 0.50 0.72 -0.12 0.00 -0.26 0.00 0.00 64.21 65.04 3kcp n SER 125 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kcp s GLU 126 N -3.30 0.22 -0.04 4.33 2.12 -1.11 -4.99 118.70 115.93 3kcp s GLU 126 Ca -0.03 0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.66 3kcp s GLU 126 Cb 0.10 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.56 3kcp s GLU 126 CO 0.82 -0.07 -0.02 0.12 -0.54 0.00 0.00 175.26 175.57 3kcp s PHE 127 N 0.44 0.58 0.00 5.30 5.36 -1.26 -0.18 117.98 128.22 3kcp s PHE 127 Ca -0.03 -0.12 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 3kcp s PHE 127 Cb -0.04 -0.58 0.00 0.00 -0.34 0.00 0.00 43.02 42.06 3kcp s PHE 127 CO -0.02 -0.18 0.00 0.41 -1.46 0.00 0.00 175.22 173.97 3kcp n GLY 128 N 4.17 0.83 3.48 13.12 0.00 0.29 -5.00 105.19 122.08 3kcp n GLY 128 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3kcp n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcp s ALA 129 N -4.00 -1.73 -0.12 4.61 0.00 -1.25 -4.99 121.76 114.28 3kcp s ALA 129 Ca 0.00 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 3kcp s ALA 129 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3kcp s ALA 129 CO 0.00 -0.58 0.11 -0.06 0.00 0.00 0.00 175.76 175.23 3kcp s PHE 130 N -2.53 3.50 0.00 0.00 0.40 -1.26 -2.39 117.98 115.70 3kcp s PHE 130 Ca -0.02 0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.77 3kcp s PHE 130 Cb -0.01 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 3kcp s PHE 130 CO -0.03 0.64 -0.09 0.00 0.70 0.00 0.00 175.22 176.44 3kcp s ALA 131 N -0.86 0.71 1.01 5.36 0.00 -0.53 -1.05 121.76 126.39 3kcp s ALA 131 Ca 0.14 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 3kcp s ALA 131 Cb -0.12 -0.15 0.14 0.00 0.00 0.00 0.00 23.12 22.99 3kcp s ALA 131 CO 0.03 0.15 0.79 -0.40 0.00 0.00 0.00 175.76 176.33 3kcp n ASP 132 N 2.62 -0.02 0.32 0.00 5.68 -0.09 -0.66 116.55 124.40 3kcp n ASP 132 Ca -0.15 -1.27 0.19 0.00 -0.50 0.00 0.00 54.79 53.06 3kcp n ASP 132 Cb 0.57 -0.61 1.01 0.00 -1.14 0.00 0.00 41.12 40.95 3kcp n ASP 132 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3kcp h ASN 133 N -1.09 0.00 -0.62 -1.12 -0.26 -1.71 0.59 115.58 111.36 3kcp h ASN 133 Ca -0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 3kcp h ASN 133 Cb 0.71 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 3kcp h ASN 133 CO 0.18 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 177.02 3kcp n ASP 134 N -2.92 3.71 -0.16 5.81 8.00 -1.26 -4.93 116.55 124.80 3kcp n ASP 134 Ca -0.02 -1.99 -0.02 0.00 0.71 0.00 0.00 54.79 53.46 3kcp n ASP 134 Cb 0.19 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.86 3kcp n ASP 134 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kcp n LEU 135 N 1.44 0.21 -4.66 0.64 4.32 0.20 -4.99 117.00 114.15 3kcp n LEU 135 Ca 0.22 0.05 -0.43 0.00 -0.02 0.00 0.00 56.01 55.83 3kcp n LEU 135 Cb 0.59 -1.45 -0.02 0.00 -1.62 0.00 0.00 43.42 40.91 3kcp n LEU 135 CO 0.15 -0.47 0.93 -0.69 -1.22 0.00 0.00 177.39 176.10 3kcp s VAL 136 N -1.72 4.61 0.29 4.08 1.01 -1.26 -4.73 120.40 122.68 3kcp s VAL 136 Ca 0.00 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 3kcp s VAL 136 Cb 0.00 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 3kcp s VAL 136 CO 0.00 -0.14 1.48 -1.61 0.00 0.00 0.00 175.10 174.83 3kcp s GLU 137 N 3.05 4.21 -0.15 2.72 2.02 -1.26 -0.92 118.70 128.38 3kcp s GLU 137 Ca 0.47 2.42 -0.03 0.00 0.02 0.00 0.00 54.97 57.84 3kcp s GLU 137 Cb -0.17 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 3kcp s GLU 137 CO 0.10 -0.47 -0.03 0.08 0.02 0.00 0.00 175.26 174.95 3kcp s VAL 138 N -0.32 3.96 0.06 2.63 1.01 -0.21 -4.91 120.40 122.62 3kcp s VAL 138 Ca 0.58 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 3kcp s VAL 138 Cb -0.44 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 3kcp s VAL 138 CO 0.49 0.51 1.18 -1.83 0.00 0.00 0.00 175.10 175.44 3kcp s GLU 139 N 0.20 4.45 -0.00 2.72 1.03 -1.26 -4.33 118.70 121.51 3kcp s GLU 139 Ca -0.02 1.74 0.01 0.00 0.03 0.00 0.00 54.97 56.73 3kcp s GLU 139 Cb -0.14 -3.35 -0.00 0.00 -0.80 0.00 0.00 34.13 29.84 3kcp s GLU 139 CO 0.03 -0.22 -0.03 -0.08 -1.33 0.00 0.00 175.26 173.62 3kcp s THR 140 N 0.98 0.25 0.09 1.83 -1.32 -1.26 -4.11 115.64 112.10 3kcp s THR 140 Ca 0.58 -0.15 -0.18 0.00 -1.21 0.00 0.00 61.69 60.72 3kcp s THR 140 Cb -0.29 -0.22 -0.07 0.00 -1.51 0.00 0.00 72.50 70.42 3kcp s THR 140 CO 0.29 0.06 0.56 -1.81 -2.21 0.00 0.00 174.62 171.51 3kcp s ASP 141 N -0.11 6.99 -0.10 8.08 1.01 0.59 -4.95 116.67 128.17 3kcp s ASP 141 Ca 0.01 1.20 0.00 0.00 0.71 0.00 0.00 52.55 54.48 3kcp s ASP 141 Cb -0.01 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 3kcp s ASP 141 CO -0.00 0.23 -0.11 -0.76 0.21 0.00 0.00 175.17 174.74 3kcp s LEU 142 N -1.33 2.87 -0.16 1.23 1.43 -1.26 -0.18 118.68 121.28 3kcp s LEU 142 Ca 0.31 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3kcp s LEU 142 Cb -0.18 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.44 3kcp s LEU 142 CO 0.19 0.24 -0.07 -0.63 0.23 0.00 0.00 176.35 176.31 3kcp s ILE 143 N -0.11 1.23 0.77 -0.59 1.01 -0.39 -4.97 121.20 118.16 3kcp s ILE 143 Ca -0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 3kcp s ILE 143 Cb -0.14 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.06 3kcp s ILE 143 CO 0.03 0.21 1.08 0.20 0.00 0.00 0.00 174.94 176.47 3kcp s ASN 144 N 1.59 4.62 0.00 3.58 0.01 -1.26 -0.38 114.94 123.10 3kcp s ASN 144 Ca 0.02 1.55 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 3kcp s ASN 144 Cb -0.15 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.20 3kcp s ASN 144 CO -0.08 -1.92 0.00 0.61 -1.51 0.00 0.00 177.10 174.20 3kcp n GLY 145 N -1.71 4.67 0.00 0.66 0.00 -0.31 -4.58 105.19 103.92 3kcp n GLY 145 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3kcp n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcp n GLY 146 N 0.00 -0.71 3.02 -0.02 0.00 -0.43 -0.35 105.19 106.70 3kcp n GLY 146 Ca 0.00 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 3kcp n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcp s VAL 147 N -2.46 1.38 -0.65 1.61 1.01 -0.27 -1.90 120.40 119.12 3kcp s VAL 147 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 3kcp s VAL 147 Cb 0.00 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.14 3kcp s VAL 147 CO 0.00 0.42 1.07 -0.22 0.00 0.00 0.00 175.10 176.37 3kcp s LEU 148 N 1.14 3.88 -0.43 3.92 2.96 0.11 -0.14 118.68 130.12 3kcp s LEU 148 Ca -0.04 -0.60 -0.19 0.00 -0.22 0.00 0.00 54.13 53.08 3kcp s LEU 148 Cb -0.14 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.96 3kcp s LEU 148 CO -0.03 -1.52 0.53 -0.69 -1.32 0.00 0.00 176.35 173.32 3kcp s VAL 149 N 4.61 4.97 0.32 1.68 1.01 -0.71 -1.81 120.40 130.46 3kcp s VAL 149 Ca 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3kcp s VAL 149 Cb -0.12 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 3kcp s VAL 149 CO 0.15 -0.51 0.05 0.35 0.00 0.00 0.00 175.10 175.14 3kcp n THR 150 N 5.63 0.00 -1.09 3.92 -2.24 -0.89 0.48 114.28 120.09 3kcp n THR 150 Ca -0.05 -1.66 0.08 0.00 -2.27 0.00 0.00 64.05 60.15 3kcp n THR 150 Cb 0.47 0.47 0.21 0.00 -2.10 0.00 0.00 70.33 69.38 3kcp n THR 150 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kcp n ASN 151 N -1.46 3.09 -4.64 3.42 5.15 -1.26 -4.08 115.26 115.48 3kcp n ASN 151 Ca -0.09 -3.15 -0.41 0.00 -0.60 0.00 0.00 54.58 50.33 3kcp n ASN 151 Cb 0.44 -0.51 -0.05 0.00 -0.53 0.00 0.00 39.78 39.13 3kcp n ASN 151 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3kcp s LYS 152 N -2.90 4.15 0.45 1.20 2.47 -1.26 -5.03 119.74 118.82 3kcp s LYS 152 Ca 0.38 0.76 -0.25 0.00 -1.56 0.00 0.00 55.97 55.30 3kcp s LYS 152 Cb 0.32 -3.64 -0.08 0.00 -1.46 0.00 0.00 37.83 32.97 3kcp s LYS 152 CO 0.05 -0.46 1.38 -1.25 0.16 0.00 0.00 175.35 175.23 3kcp s PRO 153 N 2.64 3.71 -0.13 4.03 0.04 -1.26 -4.94 135.00 139.08 3kcp s PRO 153 Ca 0.31 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.67 3kcp s PRO 153 Cb -0.15 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.77 3kcp s PRO 153 CO 0.08 -0.76 -0.18 0.08 0.04 0.00 0.00 177.00 176.26 3kcp s VAL 154 N -1.24 1.78 -0.14 -0.36 1.01 -1.26 -5.11 120.40 115.08 3kcp s VAL 154 Ca 0.61 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 3kcp s VAL 154 Cb -0.41 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3kcp s VAL 154 CO 0.53 0.50 -0.01 -0.63 0.00 0.00 0.00 175.10 175.48 3kcp s ILE 155 N 1.02 4.13 0.34 2.22 1.01 -1.26 -5.09 121.20 123.58 3kcp s ILE 155 Ca -0.04 -0.28 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 3kcp s ILE 155 Cb -0.15 -2.80 -0.09 0.00 0.01 0.00 0.00 42.46 39.43 3kcp s ILE 155 CO -0.04 0.51 1.00 -1.61 0.00 0.00 0.00 174.94 174.80 3kcp s GLU 156 N 0.08 4.46 0.19 2.79 0.41 -1.26 -4.87 118.70 120.50 3kcp s GLU 156 Ca 0.01 1.47 0.00 0.00 -0.41 0.00 0.00 54.97 56.04 3kcp s GLU 156 Cb -0.13 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 3kcp s GLU 156 CO 0.02 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.33 3kcp n GLY 157 N 0.61 -2.74 3.60 -1.39 0.00 -1.26 -3.94 105.19 100.06 3kcp n GLY 157 Ca 0.02 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 3kcp n GLY 157 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcp s TYR 158 N -0.67 2.51 -0.21 1.61 2.02 0.38 -4.44 117.35 118.54 3kcp s TYR 158 Ca 0.00 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 3kcp s TYR 158 Cb 0.00 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 3kcp s TYR 158 CO 0.00 0.53 0.08 0.21 -1.57 0.00 0.00 175.55 174.80 3kcp s LYS 159 N -3.68 3.88 -0.20 -0.62 2.20 -1.26 -0.23 119.74 119.84 3kcp s LYS 159 Ca 0.34 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.54 3kcp s LYS 159 Cb -0.00 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 3kcp s LYS 159 CO 0.18 0.09 -0.07 0.08 -0.36 0.00 0.00 175.35 175.27 3kcp s VAL 160 N 0.89 3.21 0.22 4.02 1.01 -0.18 0.07 120.40 129.63 3kcp s VAL 160 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 3kcp s VAL 160 Cb -0.14 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3kcp s VAL 160 CO 0.03 0.45 0.32 -0.94 0.00 0.00 0.00 175.10 174.96 3kcp s SER 161 N 1.26 0.02 0.00 3.32 1.04 -0.26 -0.09 113.70 118.99 3kcp s SER 161 Ca 0.03 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3kcp s SER 161 Cb -0.14 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3kcp s SER 161 CO -0.03 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3kcp n GLY 162 N -0.31 -1.28 3.12 7.32 0.00 -0.75 -0.75 105.19 112.53 3kcp n GLY 162 Ca -0.01 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 3kcp n GLY 162 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcp s TYR 163 N -3.00 1.06 0.04 1.61 2.02 -1.25 -1.82 117.35 116.00 3kcp s TYR 163 Ca 0.00 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 3kcp s TYR 163 Cb 0.00 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 40.92 3kcp s TYR 163 CO 0.00 0.01 -0.09 0.42 -1.57 0.00 0.00 175.55 174.32 3kcp s ILE 164 N -0.99 0.68 -0.08 2.71 1.01 -0.51 -0.67 121.20 123.36 3kcp s ILE 164 Ca -0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3kcp s ILE 164 Cb -0.08 -0.68 0.04 0.00 0.01 0.00 0.00 42.46 41.74 3kcp s ILE 164 CO 0.01 -0.20 0.17 -0.22 0.00 0.00 0.00 174.94 174.71 3kcp s LEU 165 N -1.24 0.70 0.46 2.97 2.96 0.11 -4.54 118.68 120.09 3kcp s LEU 165 Ca -0.05 0.36 -0.24 0.00 -0.22 0.00 0.00 54.13 53.99 3kcp s LEU 165 Cb -0.08 0.48 -0.07 0.00 0.50 0.00 0.00 46.19 47.02 3kcp s LEU 165 CO 0.01 -0.14 1.26 -2.84 -1.32 0.00 0.00 176.35 173.31 3kcp s PRO 166 N 1.09 3.69 -1.20 0.98 0.02 -1.26 -1.83 135.00 136.48 3kcp s PRO 166 Ca -0.08 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 3kcp s PRO 166 Cb -0.10 -2.50 0.20 0.00 0.02 0.00 0.00 34.50 32.12 3kcp s PRO 166 CO -0.06 -0.67 1.49 -3.47 -0.33 0.00 0.00 177.00 173.95 3kcp n ASP 167 N -0.39 5.33 -3.25 2.53 2.03 0.00 -4.83 116.55 117.96 3kcp n ASP 167 Ca 0.07 -3.05 -0.07 0.00 0.52 0.00 0.00 54.79 52.26 3kcp n ASP 167 Cb 0.46 -1.50 0.01 0.00 -0.72 0.00 0.00 41.12 39.37 3kcp n ASP 167 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3kcp s PHE 168 N 0.56 0.03 -0.02 -0.67 -0.12 -1.26 -4.81 117.98 111.69 3kcp s PHE 168 Ca 0.39 -0.59 -0.16 0.00 -0.05 0.00 0.00 56.93 56.53 3kcp s PHE 168 Cb -0.01 0.77 -0.06 0.00 -0.63 0.00 0.00 43.02 43.10 3kcp s PHE 168 CO -0.00 -1.33 0.45 -1.12 -0.05 0.00 0.00 175.22 173.16 3kcp s SER 169 N -3.09 6.82 0.15 1.98 0.01 -1.26 -5.06 113.70 113.24 3kcp s SER 169 Ca 0.15 0.97 -0.19 0.00 1.31 0.00 0.00 55.95 58.19 3kcp s SER 169 Cb -0.05 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 63.96 3kcp s SER 169 CO 0.09 0.24 0.51 0.72 0.41 0.00 0.00 173.24 175.21 3kcp s PHE 170 N -0.68 -0.34 0.49 2.43 -0.12 -1.26 -4.95 117.98 113.55 3kcp s PHE 170 Ca 0.25 0.07 0.04 0.00 -0.05 0.00 0.00 56.93 57.24 3kcp s PHE 170 Cb -0.17 0.41 0.04 0.00 -0.63 0.00 0.00 43.02 42.68 3kcp s PHE 170 CO 0.13 -0.80 0.36 -0.40 -0.05 0.00 0.00 175.22 174.47 3kcp n ASP 171 N -0.31 2.59 0.03 1.98 5.68 -1.26 -4.94 116.55 120.32 3kcp n ASP 171 Ca -0.16 -2.70 0.21 0.00 -0.50 0.00 0.00 54.79 51.64 3kcp n ASP 171 Cb 0.64 -0.03 0.73 0.00 -1.14 0.00 0.00 41.12 41.31 3kcp n ASP 171 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kcp h ALA 172 N 0.69 2.36 0.00 2.12 0.00 -2.03 0.16 119.26 122.56 3kcp h ALA 172 Ca -0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3kcp h ALA 172 Cb 1.14 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kcp h ALA 172 CO 0.49 -0.67 -0.08 1.79 0.00 0.00 0.00 179.25 180.78 3kcp h THR 173 N 0.00 0.27 0.00 0.00 1.35 -2.02 -3.30 112.91 109.22 3kcp h THR 173 Ca 0.24 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3kcp h THR 173 Cb 1.07 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3kcp h THR 173 CO -0.00 0.08 -0.22 1.33 -0.25 0.00 0.00 175.52 176.46 3kcp n VAL 174 N -3.30 0.00 -0.29 6.82 0.24 -0.62 -4.79 118.33 116.39 3kcp n VAL 174 Ca -0.01 -0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.09 3kcp n VAL 174 Cb 0.28 0.86 0.27 0.00 -1.47 0.00 0.00 33.84 33.78 3kcp n VAL 174 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcp h ALA 175 N 0.00 1.20 -0.78 2.33 0.00 -1.09 -0.23 119.26 120.70 3kcp h ALA 175 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3kcp h ALA 175 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3kcp h ALA 175 CO 0.00 -0.47 0.51 -1.35 0.00 0.00 0.00 179.25 177.95 3kcp h PRO 176 N 0.18 0.98 -0.31 0.00 0.11 -1.81 -0.56 132.00 130.60 3kcp h PRO 176 Ca 0.53 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.52 3kcp h PRO 176 Cb 1.06 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3kcp h PRO 176 CO -0.67 0.65 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.66 3kcp h LEU 177 N 1.01 0.57 0.00 2.35 3.38 -1.39 -2.76 115.31 118.48 3kcp h LEU 177 Ca 0.30 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3kcp h LEU 177 Cb -0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kcp h LEU 177 CO -0.07 0.78 -0.90 -0.37 0.09 0.00 0.00 178.44 177.97 3kcp h VAL 178 N 0.35 0.75 0.03 1.22 -1.51 -1.18 -3.31 116.25 112.60 3kcp h VAL 178 Ca 0.08 -2.18 -0.24 0.00 -1.23 0.00 0.00 66.70 63.14 3kcp h VAL 178 Cb 0.52 2.28 -0.03 0.00 -2.13 0.00 0.00 31.29 31.93 3kcp h VAL 178 CO 0.02 0.43 -1.15 0.11 -1.23 0.00 0.00 177.57 175.75 3kcp h LYS 179 N 0.00 0.06 -7.05 5.19 1.57 -1.20 -3.43 116.57 111.71 3kcp h LYS 179 Ca -0.07 -0.10 -0.47 0.00 -1.87 0.00 0.00 60.65 58.14 3kcp h LYS 179 Cb 1.48 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.83 3kcp h LYS 179 CO 0.06 0.99 0.30 0.00 -0.57 0.00 0.00 179.45 180.23 3kcp s ALA 180 N -2.68 3.12 0.00 3.86 0.00 -1.04 -4.02 121.76 121.00 3kcp s ALA 180 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3kcp s ALA 180 Cb 0.09 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3kcp s ALA 180 CO 0.83 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.98 3kcp n GLY 181 N -1.10 0.75 3.70 0.00 0.00 -0.76 -4.93 105.19 102.85 3kcp n GLY 181 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3kcp n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcp s PHE 182 N -2.00 3.34 -0.11 1.61 0.08 -1.26 -4.77 117.98 114.86 3kcp s PHE 182 Ca 0.00 1.33 -0.19 0.00 0.12 0.00 0.00 56.93 58.19 3kcp s PHE 182 Cb 0.00 -3.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 3kcp s PHE 182 CO 0.00 -1.06 0.51 0.21 -0.10 0.00 0.00 175.22 174.78 3kcp s LYS 183 N 1.75 4.35 -0.15 0.44 2.20 -0.40 -0.60 119.74 127.33 3kcp s LYS 183 Ca 0.56 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.68 3kcp s LYS 183 Cb -0.25 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 3kcp s LYS 183 CO 0.24 0.14 -0.16 0.08 -0.36 0.00 0.00 175.35 175.29 3kcp s VAL 184 N 0.66 2.56 -0.04 4.02 1.01 0.88 -0.97 120.40 128.52 3kcp s VAL 184 Ca 0.28 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3kcp s VAL 184 Cb -0.15 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3kcp s VAL 184 CO 0.11 0.52 -0.25 -1.61 0.00 0.00 0.00 175.10 173.87 3kcp s GLU 185 N 0.81 2.31 -0.40 2.72 2.02 -0.11 -0.82 118.70 125.24 3kcp s GLU 185 Ca -0.06 -0.92 -0.21 0.00 0.02 0.00 0.00 54.97 53.81 3kcp s GLU 185 Cb -0.15 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.00 3kcp s GLU 185 CO -0.00 0.47 0.67 0.42 0.02 0.00 0.00 175.26 176.84 3kcp s ILE 186 N -0.40 4.82 0.33 -1.63 1.01 -0.23 -1.00 121.20 124.10 3kcp s ILE 186 Ca 0.04 0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.79 3kcp s ILE 186 Cb -0.12 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.08 3kcp s ILE 186 CO 0.01 -0.49 1.45 -0.69 0.00 0.00 0.00 174.94 175.23 3kcp s VAL 187 N 2.86 2.33 -0.01 2.92 1.01 -0.30 -2.12 120.40 127.08 3kcp s VAL 187 Ca 0.25 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3kcp s VAL 187 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3kcp s VAL 187 CO 0.18 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3kcp n GLY 188 N 1.18 0.44 3.39 4.51 0.00 -1.26 -4.73 105.19 108.71 3kcp n GLY 188 Ca 0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3kcp n GLY 188 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcp s THR 189 N -1.87 0.53 -1.47 2.61 -4.23 -0.90 -5.04 115.64 105.26 3kcp s THR 189 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3kcp s THR 189 Cb 0.00 -2.53 0.56 0.00 1.34 0.00 0.00 72.50 71.86 3kcp s THR 189 CO 0.00 0.00 1.44 -0.62 -0.54 0.00 0.00 174.62 174.90 3kcp n GLU 190 N -0.65 2.91 -3.22 3.99 1.02 -1.26 -4.79 120.64 118.64 3kcp n GLU 190 Ca -0.01 -2.22 -0.39 0.00 -0.02 0.00 0.00 57.16 54.53 3kcp n GLU 190 Cb 0.65 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 3kcp n GLU 190 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kcp s LEU 191 N -1.38 4.40 0.24 -4.62 1.43 -1.26 -5.02 118.68 112.47 3kcp s LEU 191 Ca 0.40 1.12 -0.22 0.00 -1.03 0.00 0.00 54.13 54.40 3kcp s LEU 191 Cb 0.24 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.61 3kcp s LEU 191 CO 0.22 0.09 0.70 -0.72 0.23 0.00 0.00 176.35 176.87 3kcp s TYR 192 N -0.10 -0.28 0.11 0.29 -0.85 -1.26 -1.07 117.35 114.19 3kcp s TYR 192 Ca 0.30 -0.11 -0.08 0.00 -0.52 0.00 0.00 57.07 56.67 3kcp s TYR 192 Cb -0.18 0.67 -0.01 0.00 0.38 0.00 0.00 41.96 42.82 3kcp s TYR 192 CO 0.16 -1.11 0.19 0.00 -1.52 0.00 0.00 175.55 173.27 3kcp s ALA 193 N -3.83 -0.02 -0.05 9.51 0.00 0.00 -4.79 121.76 122.57 3kcp s ALA 193 Ca 0.08 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.28 3kcp s ALA 193 Cb -0.04 0.61 -0.00 0.00 0.00 0.00 0.00 23.12 23.68 3kcp s ALA 193 CO 0.02 -0.54 -0.19 0.08 0.00 0.00 0.00 175.76 175.12 3kcp s VAL 194 N -3.91 1.62 0.50 0.00 1.01 -1.26 -0.08 120.40 118.28 3kcp s VAL 194 Ca 0.10 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 3kcp s VAL 194 Cb 0.05 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 3kcp s VAL 194 CO -0.07 0.46 1.21 0.42 0.00 0.00 0.00 175.10 177.13 3kcp s THR 195 N 0.06 2.81 0.26 3.92 -4.23 0.23 -4.70 115.64 113.99 3kcp s THR 195 Ca -0.06 0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 3kcp s THR 195 Cb -0.13 -3.28 0.06 0.00 1.34 0.00 0.00 72.50 70.48 3kcp s THR 195 CO 0.03 -0.03 0.36 -0.90 -0.54 0.00 0.00 174.62 173.54 3kcp n ASP 196 N -0.83 0.30 0.33 3.99 5.68 0.25 -1.82 116.55 124.46 3kcp n ASP 196 Ca 0.09 -1.30 0.21 0.00 -0.50 0.00 0.00 54.79 53.30 3kcp n ASP 196 Cb 0.48 -0.25 1.13 0.00 -1.14 0.00 0.00 41.12 41.34 3kcp n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kcp h ALA 197 N -0.99 1.10 -0.18 2.12 0.00 -1.86 -0.37 119.26 119.09 3kcp h ALA 197 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kcp h ALA 197 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kcp h ALA 197 CO 0.11 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3kcp n ASN 198 N -3.08 2.33 0.00 0.00 4.13 -1.26 -4.24 115.26 113.14 3kcp n ASN 198 Ca -0.03 -1.79 0.00 0.00 1.68 0.00 0.00 54.58 54.44 3kcp n ASN 198 Cb 0.14 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 3kcp n ASN 198 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kcp n GLY 199 N 1.27 0.63 3.82 7.41 0.00 -0.16 -4.85 105.19 113.31 3kcp n GLY 199 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3kcp n GLY 199 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kcp s TYR 200 N -2.22 3.75 0.05 1.61 5.04 -1.26 -1.42 117.35 122.89 3kcp s TYR 200 Ca 0.00 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 55.90 3kcp s TYR 200 Cb 0.00 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.78 3kcp s TYR 200 CO 0.00 0.51 -0.06 -0.59 -1.34 0.00 0.00 175.55 174.07 3kcp s PHE 201 N -1.25 0.63 -0.13 4.97 -0.12 -0.76 -0.58 117.98 120.74 3kcp s PHE 201 Ca 0.33 -0.65 -0.09 0.00 -0.05 0.00 0.00 56.93 56.47 3kcp s PHE 201 Cb -0.18 -0.39 0.04 0.00 -0.63 0.00 0.00 43.02 41.86 3kcp s PHE 201 CO 0.20 -0.15 0.33 -1.83 -0.05 0.00 0.00 175.22 173.72 3kcp s GLU 202 N -2.29 0.34 -0.20 1.99 -1.05 -1.26 -1.81 118.70 114.41 3kcp s GLU 202 Ca -0.05 0.59 -0.03 0.00 -0.15 0.00 0.00 54.97 55.33 3kcp s GLU 202 Cb -0.05 0.03 -0.01 0.00 -0.44 0.00 0.00 34.13 33.67 3kcp s GLU 202 CO -0.02 -0.11 -0.06 0.42 0.95 0.00 0.00 175.26 176.44 3kcp s ILE 203 N 0.87 3.32 0.37 1.83 1.01 0.87 -4.73 121.20 124.75 3kcp s ILE 203 Ca -0.06 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.15 3kcp s ILE 203 Cb -0.06 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3kcp s ILE 203 CO -0.06 0.44 0.47 0.42 0.00 0.00 0.00 174.94 176.21 3kcp s THR 204 N 1.27 3.55 -1.13 2.92 -4.23 -1.26 -1.02 115.64 115.75 3kcp s THR 204 Ca 0.03 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 3kcp s THR 204 Cb -0.14 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.48 3kcp s THR 204 CO -0.02 -0.10 0.29 0.61 -0.54 0.00 0.00 174.62 174.86 3kcp n GLY 205 N -1.66 -0.18 3.68 3.99 0.00 -0.94 -4.90 105.19 105.18 3kcp n GLY 205 Ca 0.02 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3kcp n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcp s VAL 206 N -2.90 4.94 0.50 1.61 1.01 0.69 -4.66 120.40 121.59 3kcp s VAL 206 Ca 0.14 1.53 -0.23 0.00 0.00 0.00 0.00 61.98 63.42 3kcp s VAL 206 Cb -0.06 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 3kcp s VAL 206 CO 0.18 0.09 1.31 -2.84 0.00 0.00 0.00 175.10 173.83 3kcp s PRO 207 N 1.83 3.43 0.20 2.72 0.02 -1.26 -0.47 135.00 141.46 3kcp s PRO 207 Ca 0.37 2.13 -0.32 0.00 0.02 0.00 0.00 61.00 63.19 3kcp s PRO 207 Cb -0.17 -2.38 -0.15 0.00 0.02 0.00 0.00 34.50 31.83 3kcp s PRO 207 CO 0.13 -0.93 1.31 0.00 -0.33 0.00 0.00 177.00 177.19 3kcp n ALA 208 N -0.70 0.22 -3.17 -1.55 0.00 -1.26 -4.89 120.51 109.16 3kcp n ALA 208 Ca 0.08 0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.99 3kcp n ALA 208 Cb 0.45 -2.16 -0.00 0.00 0.00 0.00 0.00 19.45 17.73 3kcp n ALA 208 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kcp s ASN 209 N 0.21 -1.52 0.19 0.00 3.84 0.44 -5.02 114.94 113.08 3kcp s ASN 209 Ca 0.72 -0.06 0.26 0.00 0.21 0.00 0.00 52.86 53.98 3kcp s ASN 209 Cb -0.75 1.98 0.69 0.00 -0.55 0.00 0.00 41.25 42.61 3kcp s ASN 209 CO 0.50 -0.27 1.66 0.00 -2.79 0.00 0.00 177.10 176.20 3kcp n ALA 210 N 5.19 2.44 0.21 1.71 0.00 -1.24 -1.54 120.51 127.27 3kcp n ALA 210 Ca 0.06 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.49 3kcp n ALA 210 Cb 0.54 -1.40 0.47 0.00 0.00 0.00 0.00 19.45 19.07 3kcp n ALA 210 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kcp h SER 211 N 0.00 0.00 -0.01 0.00 0.02 -1.94 -3.45 113.55 108.17 3kcp h SER 211 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kcp h SER 211 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3kcp h SER 211 CO 0.00 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 3kcp n GLY 212 N -0.46 2.50 3.93 -3.77 0.00 -1.12 -4.91 105.19 101.36 3kcp n GLY 212 Ca -0.02 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 3kcp n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcp s TYR 213 N -1.00 3.48 -0.16 1.61 2.02 0.04 -4.76 117.35 118.58 3kcp s TYR 213 Ca 0.00 0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.91 3kcp s TYR 213 Cb 0.00 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3kcp s TYR 213 CO 0.00 0.41 0.09 0.99 -1.57 0.00 0.00 175.55 175.48 3kcp s THR 214 N -1.84 5.10 -0.12 -0.71 2.01 -1.26 -0.74 115.64 118.08 3kcp s THR 214 Ca 0.37 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.41 3kcp s THR 214 Cb -0.11 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 3kcp s THR 214 CO 0.29 0.52 0.01 -0.76 -0.69 0.00 0.00 174.62 173.99 3kcp s LEU 215 N -0.16 3.60 -0.19 4.42 1.43 0.12 -1.15 118.68 126.75 3kcp s LEU 215 Ca 0.09 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3kcp s LEU 215 Cb -0.12 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 3kcp s LEU 215 CO 0.01 0.29 -0.11 -0.75 0.23 0.00 0.00 176.35 176.02 3kcp s LYS 216 N -0.37 3.25 -0.23 1.70 2.20 -0.17 -0.80 119.74 125.32 3kcp s LYS 216 Ca 0.07 -0.70 -0.08 0.00 -0.36 0.00 0.00 55.97 54.90 3kcp s LYS 216 Cb -0.12 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 3kcp s LYS 216 CO 0.02 -0.13 0.09 0.42 -0.36 0.00 0.00 175.35 175.39 3kcp s ILE 217 N 1.22 4.66 0.03 5.43 1.01 0.61 -0.93 121.20 133.23 3kcp s ILE 217 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3kcp s ILE 217 Cb -0.14 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 3kcp s ILE 217 CO -0.05 0.37 -0.06 -0.94 0.00 0.00 0.00 174.94 174.26 3kcp s SER 218 N 1.20 0.66 -0.17 3.58 1.04 -0.15 -1.35 113.70 118.51 3kcp s SER 218 Ca 0.05 -0.48 -0.24 0.00 0.48 0.00 0.00 55.95 55.77 3kcp s SER 218 Cb -0.14 0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.08 3kcp s SER 218 CO 0.04 -0.19 0.62 -0.60 0.98 0.00 0.00 173.24 174.09 3kcp s ARG 219 N -1.36 0.81 -0.11 4.02 3.52 -1.26 -1.28 118.95 123.30 3kcp s ARG 219 Ca -0.10 0.65 -0.41 0.00 -0.13 0.00 0.00 55.73 55.74 3kcp s ARG 219 Cb -0.09 0.39 -0.19 0.00 -1.56 0.00 0.00 34.95 33.50 3kcp s ARG 219 CO 0.00 -0.16 1.25 0.00 -0.81 0.00 0.00 175.30 175.58 3kcp n ALA 220 N 2.17 -2.66 -0.03 6.12 0.00 -1.26 -1.23 120.51 123.63 3kcp n ALA 220 Ca -0.16 0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3kcp n ALA 220 Cb 0.56 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3kcp n ALA 220 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kcp n THR 221 N 2.30 0.00 -3.95 0.00 -2.24 -1.24 -5.03 114.28 104.13 3kcp n THR 221 Ca 0.22 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.72 3kcp n THR 221 Cb 0.07 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 3kcp n THR 221 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kcp s TYR 222 N -2.90 3.47 -0.24 4.78 2.02 -0.36 0.15 117.35 124.27 3kcp s TYR 222 Ca 0.00 0.16 -0.29 0.00 -0.37 0.00 0.00 57.07 56.57 3kcp s TYR 222 Cb 0.00 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 3kcp s TYR 222 CO 0.00 0.55 1.16 -1.17 -1.57 0.00 0.00 175.55 174.52 3kcp s LEU 223 N -2.90 4.06 0.22 -1.29 2.96 -0.62 -4.58 118.68 116.54 3kcp s LEU 223 Ca 0.34 1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 55.35 3kcp s LEU 223 Cb -0.12 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.88 3kcp s LEU 223 CO 0.28 -0.80 0.91 0.47 -1.32 0.00 0.00 176.35 175.88 3kcp n ASP 224 N 6.73 0.52 -4.31 3.68 8.00 -1.26 -4.60 116.55 125.30 3kcp n ASP 224 Ca 0.13 1.16 -0.32 0.00 0.71 0.00 0.00 54.79 56.47 3kcp n ASP 224 Cb 0.46 -1.16 -0.16 0.00 -0.02 0.00 0.00 41.12 40.24 3kcp n ASP 224 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3kcp s ARG 225 N -1.06 2.45 -0.13 -1.24 3.52 -0.46 -4.50 118.95 117.54 3kcp s ARG 225 Ca 0.65 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 55.40 3kcp s ARG 225 Cb -0.83 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 3kcp s ARG 225 CO 0.57 0.46 -0.21 0.08 -0.81 0.00 0.00 175.30 175.39 3kcp s VAL 226 N -0.35 2.22 -0.28 7.11 1.01 -1.26 -0.28 120.40 128.57 3kcp s VAL 226 Ca 0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3kcp s VAL 226 Cb -0.12 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.42 3kcp s VAL 226 CO 0.02 0.55 -0.03 -0.63 0.00 0.00 0.00 175.10 175.00 3kcp s ILE 227 N 0.62 2.81 0.53 2.22 1.01 0.02 -4.98 121.20 123.42 3kcp s ILE 227 Ca -0.11 -1.36 0.02 0.00 0.00 0.00 0.00 60.65 59.20 3kcp s ILE 227 Cb -0.16 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.75 3kcp s ILE 227 CO 0.03 -0.03 0.74 0.00 0.00 0.00 0.00 174.94 175.67 3kcp s ALA 228 N 1.24 3.96 -1.43 9.38 0.00 -1.26 0.16 121.76 133.81 3kcp s ALA 228 Ca -0.05 -1.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.47 3kcp s ALA 228 Cb -0.19 -2.03 0.05 0.00 0.00 0.00 0.00 23.12 20.95 3kcp s ALA 228 CO -0.02 -0.66 1.00 0.09 0.00 0.00 0.00 175.76 176.17 3kcp n ASN 229 N -2.26 -4.54 -4.49 0.00 3.02 -1.11 -4.93 115.26 100.95 3kcp n ASN 229 Ca 0.07 -0.71 -0.43 0.00 -0.03 0.00 0.00 54.58 53.49 3kcp n ASN 229 Cb 0.59 -4.31 -0.04 0.00 -0.61 0.00 0.00 39.78 35.41 3kcp n ASN 229 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kcp s VAL 230 N -3.37 4.30 -0.10 2.41 1.01 0.09 -4.82 120.40 119.93 3kcp s VAL 230 Ca 0.50 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 3kcp s VAL 230 Cb -0.24 -4.64 -0.02 0.00 0.00 0.00 0.00 36.38 31.48 3kcp s VAL 230 CO 0.79 -1.34 0.96 -0.69 0.00 0.00 0.00 175.10 174.82 3kcp s VAL 231 N 4.15 4.83 -0.38 2.92 1.01 -1.26 -0.78 120.40 130.88 3kcp s VAL 231 Ca 0.27 1.95 -0.00 0.00 0.00 0.00 0.00 61.98 64.19 3kcp s VAL 231 Cb -0.14 -4.27 0.10 0.00 0.00 0.00 0.00 36.38 32.07 3kcp s VAL 231 CO 0.15 0.05 0.14 -0.69 0.00 0.00 0.00 175.10 174.74 3kcp s VAL 232 N 1.80 2.90 -0.47 2.92 1.01 -0.59 -4.80 120.40 123.17 3kcp s VAL 232 Ca 0.47 -2.15 0.04 0.00 0.00 0.00 0.00 61.98 60.34 3kcp s VAL 232 Cb -0.18 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.19 3kcp s VAL 232 CO 0.19 -0.64 0.54 0.35 0.00 0.00 0.00 175.10 175.54 3kcp n THR 233 N 4.47 0.00 -3.66 3.92 -2.24 -1.26 -0.42 114.28 115.09 3kcp n THR 233 Ca -0.00 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.29 3kcp n THR 233 Cb 0.42 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.73 3kcp n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcp n GLY 234 N 0.42 0.94 3.63 3.38 0.00 -1.26 -5.05 105.19 107.25 3kcp n GLY 234 Ca 0.02 -1.00 -0.54 0.00 0.00 0.00 0.00 46.02 44.51 3kcp n GLY 234 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kcp n ASP 235 N -0.81 1.91 -3.94 1.61 9.92 -1.26 -4.65 116.55 119.34 3kcp n ASP 235 Ca -0.00 1.10 -0.27 0.00 -0.53 0.00 0.00 54.79 55.08 3kcp n ASP 235 Cb 0.23 -1.18 -0.17 0.00 -0.64 0.00 0.00 41.12 39.36 3kcp n ASP 235 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kcp s THR 236 N 1.48 1.16 -0.24 -3.53 2.01 0.11 -4.96 115.64 111.68 3kcp s THR 236 Ca 0.89 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 62.41 3kcp s THR 236 Cb -0.98 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3kcp s THR 236 CO 0.53 0.39 0.12 -0.55 -0.69 0.00 0.00 174.62 174.42 3kcp s SER 237 N 1.57 5.75 0.00 3.53 0.15 -1.26 -1.11 113.70 122.34 3kcp s SER 237 Ca 0.03 0.00 0.25 0.00 0.70 0.00 0.00 55.95 56.94 3kcp s SER 237 Cb -0.13 -2.03 0.48 0.00 -1.71 0.00 0.00 66.02 62.63 3kcp s SER 237 CO -0.08 0.04 1.39 1.33 1.20 0.00 0.00 173.24 177.12 3kcp n VAL 238 N 4.42 0.00 -3.62 4.45 0.24 0.07 -4.95 118.33 118.95 3kcp n VAL 238 Ca -0.15 -0.08 -0.01 0.00 -2.04 0.00 0.00 64.34 62.05 3kcp n VAL 238 Cb 0.52 0.51 -0.01 0.00 -1.47 0.00 0.00 33.84 33.38 3kcp n VAL 238 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kcp s SER 239 N -2.73 -0.10 0.29 -1.34 1.04 -1.26 -4.93 113.70 104.67 3kcp s SER 239 Ca 0.17 -0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.58 3kcp s SER 239 Cb 0.18 0.19 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 3kcp s SER 239 CO 0.63 -0.34 -0.10 0.42 0.98 0.00 0.00 173.24 174.82 3kcp s THR 240 N -2.52 1.99 0.41 2.02 -4.23 -1.22 -3.85 115.64 108.24 3kcp s THR 240 Ca 0.12 -2.21 0.22 0.00 -1.18 0.00 0.00 61.69 58.64 3kcp s THR 240 Cb 0.02 -2.44 0.24 0.00 1.34 0.00 0.00 72.50 71.66 3kcp s THR 240 CO -0.04 -0.32 2.02 0.77 -0.54 0.00 0.00 174.62 176.51 3kcp h SER 241 N 2.22 0.00 1.31 3.99 4.64 -1.95 -1.52 113.55 122.24 3kcp h SER 241 Ca -0.40 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.80 3kcp h SER 241 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3kcp h SER 241 CO 0.66 0.17 -0.72 1.56 -0.87 0.00 0.00 176.83 177.64 3kcp h GLN 242 N 0.00 0.00 -2.06 4.77 7.50 -2.00 -3.38 115.11 119.94 3kcp h GLN 242 Ca -0.00 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.60 3kcp h GLN 242 Cb 0.38 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.51 3kcp h GLN 242 CO 0.02 0.45 -0.99 0.00 -1.50 0.00 0.00 178.83 176.81 3kcp n ALA 243 N -2.26 2.85 -1.37 3.87 0.00 -0.94 -5.13 120.51 117.53 3kcp n ALA 243 Ca -0.01 -3.78 -0.30 0.00 0.00 0.00 0.00 53.44 49.35 3kcp n ALA 243 Cb 0.76 -0.85 0.10 0.00 0.00 0.00 0.00 19.45 19.46 3kcp n ALA 243 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kcp s PRO 244 N -1.98 1.89 -0.10 0.00 0.04 -0.62 -3.46 135.00 130.77 3kcp s PRO 244 Ca 0.39 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 3kcp s PRO 244 Cb 0.23 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 3kcp s PRO 244 CO -0.09 -1.81 1.41 0.42 0.04 0.00 0.00 177.00 176.98 3kcp s ILE 245 N -3.01 3.97 0.31 0.56 1.01 0.16 -4.83 121.20 119.37 3kcp s ILE 245 Ca 0.62 1.20 -0.21 0.00 0.00 0.00 0.00 60.65 62.26 3kcp s ILE 245 Cb -0.16 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 3kcp s ILE 245 CO 0.56 -0.09 0.83 -0.04 0.00 0.00 0.00 174.94 176.20 3kcp s MET 246 N 3.53 4.30 -0.02 2.79 -1.94 -1.26 -0.71 119.30 125.98 3kcp s MET 246 Ca 0.62 1.01 0.03 0.00 -1.71 0.00 0.00 55.69 55.64 3kcp s MET 246 Cb -0.27 -2.64 -0.00 0.00 2.01 0.00 0.00 34.83 33.93 3kcp s MET 246 CO 0.21 0.24 -0.10 -1.64 -0.01 0.00 0.00 175.02 173.72 3kcp s MET 247 N -2.41 0.98 -0.18 2.03 -1.94 -0.76 -4.89 119.30 112.12 3kcp s MET 247 Ca 0.51 -0.37 -0.06 0.00 -1.71 0.00 0.00 55.69 54.06 3kcp s MET 247 Cb -0.15 -0.92 -0.03 0.00 2.01 0.00 0.00 34.83 35.74 3kcp s MET 247 CO 0.20 0.18 0.03 -1.58 -0.01 0.00 0.00 175.02 173.83 3kcp s TRP 248 N -0.04 3.14 0.27 -0.03 0.51 -1.26 -0.82 118.94 120.71 3kcp s TRP 248 Ca 0.00 -0.15 -0.04 0.00 -2.12 0.00 0.00 56.10 53.79 3kcp s TRP 248 Cb -0.07 -2.06 -0.05 0.00 -0.81 0.00 0.00 33.47 30.48 3kcp s TRP 248 CO 0.00 -0.00 0.52 0.54 -0.51 0.00 0.00 176.95 177.50 3kcp s VAL 249 N 0.58 5.06 0.00 4.03 0.11 -1.26 -1.59 120.40 127.32 3kcp s VAL 249 Ca 0.01 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 3kcp s VAL 249 Cb -0.13 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 3kcp s VAL 249 CO 0.02 -0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 3kcp n GLY 250 N -0.87 0.85 2.79 6.54 0.00 0.12 -4.58 105.19 110.04 3kcp n GLY 250 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3kcp n GLY 250 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kcp n ASP 251 N 0.00 4.29 -0.01 1.61 2.03 -0.50 -4.63 116.55 119.34 3kcp n ASP 251 Ca 0.00 -2.93 -0.20 0.00 0.52 0.00 0.00 54.79 52.18 3kcp n ASP 251 Cb 0.00 -1.60 -0.14 0.00 -0.72 0.00 0.00 41.12 38.66 3kcp n ASP 251 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3kcp h ILE 252 N 3.93 1.21 -3.44 5.18 2.04 -1.88 -3.30 117.51 121.25 3kcp h ILE 252 Ca 0.51 -2.39 -0.68 0.00 1.00 0.00 0.00 64.86 63.30 3kcp h ILE 252 Cb 0.64 2.83 -0.17 0.00 -0.74 0.00 0.00 36.82 39.37 3kcp h ILE 252 CO 1.80 0.64 0.00 -0.69 0.00 0.00 0.00 178.15 179.90 3kcp s VAL 253 N -2.42 4.92 -0.66 1.67 1.01 -1.26 -4.81 120.40 118.86 3kcp s VAL 253 Ca -0.20 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 3kcp s VAL 253 Cb 0.03 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3kcp s VAL 253 CO 0.74 -0.63 1.82 -0.54 0.00 0.00 0.00 175.10 176.49 3kcp s LYS 254 N 2.55 2.67 0.00 2.72 -0.14 -1.26 -4.64 119.74 121.64 3kcp s LYS 254 Ca 0.17 0.43 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 3kcp s LYS 254 Cb -0.17 -4.45 0.00 0.00 -1.68 0.00 0.00 37.83 31.53 3kcp s LYS 254 CO 0.15 -2.74 0.92 -0.40 -0.76 0.00 0.00 175.35 172.51 3kcp n ASP 255 N 12.56 0.00 -4.19 2.83 5.68 -1.26 -5.00 116.55 127.17 3kcp n ASP 255 Ca 0.21 -1.85 -0.34 0.00 -0.50 0.00 0.00 54.79 52.31 3kcp n ASP 255 Cb 0.51 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.29 3kcp n ASP 255 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3kcp n ASN 256 N 0.00 -2.54 -3.70 -1.12 4.13 -1.26 -4.96 115.26 105.80 3kcp n ASN 256 Ca 0.00 -1.03 -0.13 0.00 1.68 0.00 0.00 54.58 55.10 3kcp n ASN 256 Cb 0.67 -2.73 -0.09 0.00 -1.54 0.00 0.00 39.78 36.09 3kcp n ASN 256 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3kcp s SER 257 N -3.53 -0.51 -0.42 6.41 0.15 -1.26 -3.40 113.70 111.14 3kcp s SER 257 Ca 0.58 0.97 -0.16 0.00 0.70 0.00 0.00 55.95 58.04 3kcp s SER 257 Cb -0.32 0.99 0.03 0.00 -1.71 0.00 0.00 66.02 65.01 3kcp s SER 257 CO 0.93 -0.18 0.38 -0.63 1.20 0.00 0.00 173.24 174.94 3kcp s ILE 258 N 0.21 5.17 0.00 6.45 1.01 -0.22 -4.64 121.20 129.17 3kcp s ILE 258 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3kcp s ILE 258 Cb -0.03 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3kcp s ILE 258 CO 0.01 -0.40 0.00 -0.46 0.00 0.00 0.00 174.94 174.09 3kcp n ASN 259 N 5.40 0.00 0.17 3.58 0.23 -1.26 0.13 115.26 123.50 3kcp n ASN 259 Ca -0.09 -0.45 0.03 0.00 -0.53 0.00 0.00 54.58 53.53 3kcp n ASN 259 Cb 0.47 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.44 3kcp n ASN 259 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3kcp h LEU 260 N 0.00 0.00 -1.50 -4.53 3.38 -1.99 -2.21 115.31 108.47 3kcp h LEU 260 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kcp h LEU 260 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kcp h LEU 260 CO 0.00 0.48 -0.14 -0.07 0.09 0.00 0.00 178.44 178.80 3kcp h LEU 261 N 0.00 0.15 0.01 1.67 3.38 -1.97 0.64 115.31 119.19 3kcp h LEU 261 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kcp h LEU 261 Cb 0.96 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3kcp h LEU 261 CO 0.06 0.30 -0.01 0.44 0.09 0.00 0.00 178.44 179.33 3kcp h ASP 262 N 0.15 -0.01 -0.78 -0.43 3.32 -1.70 -2.53 116.42 114.44 3kcp h ASP 262 Ca 0.03 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.71 3kcp h ASP 262 Cb 0.34 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3kcp h ASP 262 CO 0.02 0.38 0.51 0.58 -1.72 0.00 0.00 179.24 179.01 3kcp h VAL 263 N -0.41 1.17 -0.87 -1.35 2.07 -1.33 -2.64 116.25 112.89 3kcp h VAL 263 Ca -0.00 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.27 3kcp h VAL 263 Cb 0.40 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 3kcp h VAL 263 CO 0.00 0.19 0.56 0.00 0.02 0.00 0.00 177.57 178.34 3kcp h ALA 264 N 1.30 1.70 -0.49 1.67 0.00 -0.85 -1.00 119.26 121.59 3kcp h ALA 264 Ca 0.30 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3kcp h ALA 264 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kcp h ALA 264 CO -0.08 0.11 -0.18 1.49 0.00 0.00 0.00 179.25 180.59 3kcp h GLU 265 N 0.81 0.97 -0.26 0.00 4.57 -1.09 -2.47 114.58 117.11 3kcp h GLU 265 Ca 0.41 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3kcp h GLU 265 Cb 0.47 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3kcp h GLU 265 CO -0.17 1.06 0.11 0.28 -1.18 0.00 0.00 179.01 179.11 3kcp h VAL 266 N 0.85 1.17 -0.91 0.32 2.07 -1.13 -3.03 116.25 115.59 3kcp h VAL 266 Ca 0.12 -0.50 0.22 0.00 0.82 0.00 0.00 66.70 67.37 3kcp h VAL 266 Cb 0.74 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3kcp h VAL 266 CO 0.06 0.17 0.61 0.40 0.02 0.00 0.00 177.57 178.83 3kcp h ILE 267 N 0.28 0.63 0.00 4.57 2.04 -1.03 0.10 117.51 124.10 3kcp h ILE 267 Ca 0.09 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3kcp h ILE 267 Cb 0.16 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3kcp h ILE 267 CO -0.01 0.05 0.00 0.03 0.00 0.00 0.00 178.15 178.22 3kcp h ARG 268 N 0.28 0.00 -0.16 2.37 3.08 -1.32 -0.73 114.38 117.90 3kcp h ARG 268 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3kcp h ARG 268 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3kcp h ARG 268 CO -0.13 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.77 3kcp n PHE 270 N -0.73 2.30 -1.13 0.00 7.35 -0.28 -1.31 117.46 123.65 3kcp n PHE 270 Ca 0.17 0.39 -0.05 0.00 -0.76 0.00 0.00 57.45 57.20 3kcp n PHE 270 Cb 0.71 -2.49 -0.02 0.00 0.35 0.00 0.00 39.48 38.03 3kcp n PHE 270 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3kcp n ASN 271 N 2.20 -5.78 -4.76 -2.13 5.03 0.20 -5.00 115.26 105.02 3kcp n ASN 271 Ca 0.11 0.11 -0.37 0.00 0.87 0.00 0.00 54.58 55.31 3kcp n ASN 271 Cb 0.32 -3.68 0.02 0.00 -1.02 0.00 0.00 39.78 35.42 3kcp n ASN 271 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kcp s ALA 272 N -1.43 2.77 0.13 5.41 0.00 -0.43 -4.75 121.76 123.46 3kcp s ALA 272 Ca 0.00 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.05 3kcp s ALA 272 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3kcp s ALA 272 CO 0.00 -0.97 -0.17 0.95 0.00 0.00 0.00 175.76 175.57 3kcp s THR 273 N -1.54 1.56 0.19 0.00 -4.23 -1.26 -0.55 115.64 109.81 3kcp s THR 273 Ca 0.71 -1.70 -0.33 0.00 -1.18 0.00 0.00 61.69 59.19 3kcp s THR 273 Cb -0.31 -1.59 -0.13 0.00 1.34 0.00 0.00 72.50 71.81 3kcp s THR 273 CO 0.36 -0.28 1.58 1.17 -0.54 0.00 0.00 174.62 176.91 3kcp n LYS 274 N 0.66 2.30 0.00 3.99 4.81 0.94 -1.14 118.16 129.72 3kcp n LYS 274 Ca -0.16 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 3kcp n LYS 274 Cb 0.56 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 33.01 3kcp n LYS 274 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kcp n GLY 275 N 3.22 0.47 3.97 3.14 0.00 -1.26 -5.07 105.19 109.66 3kcp n GLY 275 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 3kcp n GLY 275 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kcp s SER 276 N -2.03 5.90 0.22 1.61 1.04 -0.29 -5.01 113.70 115.13 3kcp s SER 276 Ca 0.00 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.45 3kcp s SER 276 Cb 0.00 -1.43 0.32 0.00 0.10 0.00 0.00 66.02 65.02 3kcp s SER 276 CO 0.00 -0.58 1.75 0.00 0.98 0.00 0.00 173.24 175.39 3kcp h ALA 277 N 0.60 0.89 -0.29 5.32 0.00 -1.98 -2.55 119.26 121.25 3kcp h ALA 277 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kcp h ALA 277 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kcp h ALA 277 CO 0.56 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.75 3kcp n ASN 278 N -4.95 2.62 -4.70 0.00 3.02 -1.26 -4.89 115.26 105.10 3kcp n ASN 278 Ca 0.10 -1.87 -0.42 0.00 -0.03 0.00 0.00 54.58 52.36 3kcp n ASN 278 Cb 0.29 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3kcp n ASN 278 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kcp s TYR 279 N -1.63 3.28 -0.23 3.10 5.04 -0.96 -4.72 117.35 121.22 3kcp s TYR 279 Ca 0.35 1.25 0.02 0.00 -2.44 0.00 0.00 57.07 56.25 3kcp s TYR 279 Cb 0.20 -3.41 0.05 0.00 0.35 0.00 0.00 41.96 39.15 3kcp s TYR 279 CO 0.29 -1.28 -0.10 0.08 -1.34 0.00 0.00 175.55 173.20 3kcp s VAL 280 N 1.79 1.89 0.29 3.14 1.01 -1.26 -4.93 120.40 122.34 3kcp s VAL 280 Ca 0.57 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3kcp s VAL 280 Cb -0.26 -2.00 0.29 0.00 0.00 0.00 0.00 36.38 34.40 3kcp s VAL 280 CO 0.25 0.04 1.79 -0.08 0.00 0.00 0.00 175.10 177.10 3kcp h GLU 281 N 7.87 0.80 -0.48 2.72 4.81 -1.94 -1.18 114.58 127.17 3kcp h GLU 281 Ca -0.23 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3kcp h GLU 281 Cb 1.07 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3kcp h GLU 281 CO 0.47 0.53 0.32 0.93 -0.73 0.00 0.00 179.01 180.52 3kcp h GLU 282 N 0.82 0.55 0.00 1.92 5.08 -1.99 -2.04 114.58 118.92 3kcp h GLU 282 Ca 0.54 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 3kcp h GLU 282 Cb 0.75 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3kcp h GLU 282 CO -0.35 0.36 0.00 -0.07 -1.00 0.00 0.00 179.01 177.96 3kcp h LEU 283 N 0.56 0.00 -7.34 1.33 3.38 -1.65 -3.35 115.31 108.25 3kcp h LEU 283 Ca 0.19 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.47 3kcp h LEU 283 Cb 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3kcp h LEU 283 CO -0.05 0.00 2.45 -0.67 0.09 0.00 0.00 178.44 180.26 3kcp n ASP 284 N -2.82 4.65 -0.10 -0.43 -0.08 -0.77 -4.84 116.55 112.17 3kcp n ASP 284 Ca 0.04 -2.90 -0.09 0.00 -1.51 0.00 0.00 54.79 50.33 3kcp n ASP 284 Cb 0.44 -1.72 -0.03 0.00 2.34 0.00 0.00 41.12 42.15 3kcp n ASP 284 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3kcp h ILE 285 N 5.11 0.20 -0.10 5.18 1.08 -1.80 0.11 117.51 127.28 3kcp h ILE 285 Ca 0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.95 3kcp h ILE 285 Cb 0.80 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 3kcp h ILE 285 CO 1.58 0.00 0.00 -0.46 -0.69 0.00 0.00 178.15 178.58 3kcp n ASN 286 N -5.42 0.71 -2.46 1.72 6.94 -1.26 -4.94 115.26 110.56 3kcp n ASN 286 Ca -0.00 -1.76 -0.09 0.00 -0.02 0.00 0.00 54.58 52.70 3kcp n ASN 286 Cb 0.34 -0.07 -0.00 0.00 -2.36 0.00 0.00 39.78 37.69 3kcp n ASN 286 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3kcp n ARG 287 N -0.22 -2.42 -0.02 -3.83 5.12 0.39 -4.87 116.66 110.81 3kcp n ARG 287 Ca 0.10 0.45 0.12 0.00 -1.93 0.00 0.00 57.85 56.59 3kcp n ARG 287 Cb 0.15 -5.02 0.63 0.00 -1.16 0.00 0.00 32.46 27.05 3kcp n ARG 287 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3kcp n ASN 288 N -1.73 0.59 0.00 0.55 6.94 -1.26 -4.90 115.26 115.45 3kcp n ASN 288 Ca -0.11 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.08 3kcp n ASN 288 Cb 0.58 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 3kcp n ASN 288 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kcp n GLY 289 N 0.99 0.54 2.93 4.83 0.00 -1.26 -5.03 105.19 108.19 3kcp n GLY 289 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3kcp n GLY 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcp s ALA 290 N -2.10 0.29 -0.32 4.61 0.00 -1.26 -0.04 121.76 122.93 3kcp s ALA 290 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 3kcp s ALA 290 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3kcp s ALA 290 CO 0.00 0.06 0.19 0.42 0.00 0.00 0.00 175.76 176.43 3kcp s ILE 291 N -0.16 4.88 0.00 0.00 1.01 0.29 -4.84 121.20 122.38 3kcp s ILE 291 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.31 3kcp s ILE 291 Cb -0.02 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3kcp s ILE 291 CO -0.00 0.03 0.00 -0.46 0.00 0.00 0.00 174.94 174.50 3kcp n ASN 292 N 5.03 0.00 0.25 3.58 0.23 -1.26 0.62 115.26 123.71 3kcp n ASN 292 Ca -0.13 -0.85 0.08 0.00 -0.53 0.00 0.00 54.58 53.14 3kcp n ASN 292 Cb 0.49 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.80 3kcp n ASN 292 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 3kcp h MET 293 N 0.00 0.00 -0.82 -3.83 1.85 -1.99 -1.92 114.93 108.21 3kcp h MET 293 Ca 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.13 3kcp h MET 293 Cb 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 3kcp h MET 293 CO 0.00 0.09 0.52 0.37 -0.40 0.00 0.00 176.91 177.49 3kcp h GLN 294 N 0.00 0.98 -0.71 0.39 4.15 -1.97 0.13 115.11 118.08 3kcp h GLN 294 Ca -0.00 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 3kcp h GLN 294 Cb 0.16 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3kcp h GLN 294 CO 0.01 0.65 0.16 -0.44 -1.93 0.00 0.00 178.83 177.28 3kcp h ASP 295 N 1.01 1.09 -0.65 -0.69 3.32 -1.70 -2.79 116.42 116.00 3kcp h ASP 295 Ca 0.33 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3kcp h ASP 295 Cb 0.04 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3kcp h ASP 295 CO -0.12 1.04 0.19 0.40 -1.72 0.00 0.00 179.24 179.03 3kcp h ILE 296 N 1.08 1.25 -0.16 0.35 2.04 -1.24 -2.43 117.51 118.40 3kcp h ILE 296 Ca 0.22 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 3kcp h ILE 296 Cb 0.39 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3kcp h ILE 296 CO 0.00 0.33 -0.12 0.24 0.00 0.00 0.00 178.15 178.61 3kcp h MET 297 N 0.95 0.26 -0.23 2.37 2.86 -0.63 -0.22 114.93 120.28 3kcp h MET 297 Ca 0.21 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3kcp h MET 297 Cb 0.31 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3kcp h MET 297 CO -0.00 0.39 0.09 0.82 1.06 0.00 0.00 176.91 179.27 3kcp h ILE 298 N 0.25 1.17 -0.76 -1.22 2.04 -1.18 -2.69 117.51 115.12 3kcp h ILE 298 Ca 0.05 -0.51 0.14 0.00 1.00 0.00 0.00 64.86 65.54 3kcp h ILE 298 Cb 0.37 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.44 3kcp h ILE 298 CO 0.02 0.17 0.31 0.58 0.00 0.00 0.00 178.15 179.23 3kcp h VAL 299 N 0.22 0.67 0.00 1.67 2.07 -0.91 -1.97 116.25 118.01 3kcp h VAL 299 Ca 0.08 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3kcp h VAL 299 Cb 0.18 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kcp h VAL 299 CO -0.01 0.08 -0.08 0.45 0.02 0.00 0.00 177.57 178.04 3kcp h HIS 300 N 0.46 0.00 -1.05 1.57 3.86 -0.77 -2.76 115.15 116.47 3kcp h HIS 300 Ca 0.41 0.00 0.33 0.00 -1.16 0.00 0.00 60.37 59.95 3kcp h HIS 300 Cb 0.61 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.94 3kcp h HIS 300 CO -0.16 0.08 0.62 0.87 0.86 0.00 0.00 177.93 180.20 3kcp h LYS 301 N 0.00 0.30 -0.11 2.45 1.57 -1.04 -1.78 116.57 117.96 3kcp h LYS 301 Ca -0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3kcp h LYS 301 Cb 0.20 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.35 3kcp h LYS 301 CO 0.01 0.20 -0.59 0.72 -0.57 0.00 0.00 179.45 179.21 3kcp n HIS 302 N -4.96 0.39 -1.70 -1.35 8.25 -1.04 -5.08 115.22 109.73 3kcp n HIS 302 Ca 0.32 -1.53 -0.44 0.00 -0.26 0.00 0.00 57.72 55.81 3kcp n HIS 302 Cb 1.02 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.86 3kcp n HIS 302 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kcp n PHE 303 N -0.93 2.43 -0.81 4.41 7.35 -0.67 -1.64 117.46 127.59 3kcp n PHE 303 Ca 0.21 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 3kcp n PHE 303 Cb 0.77 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 38.08 3kcp n PHE 303 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kcp n GLY 304 N 2.29 0.81 3.84 7.13 0.00 0.35 -5.01 105.19 114.61 3kcp n GLY 304 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3kcp n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcp s ALA 305 N -3.15 3.17 0.27 4.61 0.00 -0.65 -4.77 121.76 121.23 3kcp s ALA 305 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.19 3kcp s ALA 305 Cb 0.00 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 3kcp s ALA 305 CO 0.00 0.08 -0.05 0.95 0.00 0.00 0.00 175.76 176.74 3kcp s THR 306 N -2.26 1.53 0.44 0.00 -4.23 -1.26 -1.06 115.64 108.81 3kcp s THR 306 Ca 0.58 -2.11 0.28 0.00 -1.18 0.00 0.00 61.69 59.26 3kcp s THR 306 Cb -0.10 -2.43 0.47 0.00 1.34 0.00 0.00 72.50 71.78 3kcp s THR 306 CO 0.21 -0.30 1.68 0.28 -0.54 0.00 0.00 174.62 175.95 3kcp h SER 307 N 2.31 0.28 0.15 3.99 0.02 -1.78 -0.22 113.55 118.29 3kcp h SER 307 Ca -0.40 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 3kcp h SER 307 Cb 1.23 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 3kcp h SER 307 CO 0.67 -0.07 -0.07 0.28 -1.14 0.00 0.00 176.83 176.49 3kcp h SER 308 N 0.17 0.00 1.05 3.07 0.02 -1.91 -2.98 113.55 112.98 3kcp h SER 308 Ca 0.73 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.68 3kcp h SER 308 Cb 2.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.80 3kcp h SER 308 CO -0.33 0.07 -0.02 0.44 -1.14 0.00 0.00 176.83 175.85 3kcp h ASP 309 N 0.00 0.00 0.00 3.07 3.32 -1.43 -3.53 116.42 117.85 3kcp h ASP 309 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kcp h ASP 309 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kcp h ASP 309 CO 0.01 0.02 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33