#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gke s LYS 9 N 0.00 0.04 -0.00 4.33 2.20 -1.26 -5.14 119.74 119.90 1gke s LYS 9 Ca 0.00 0.23 -0.10 0.00 -0.36 0.00 0.00 55.97 55.74 1gke s LYS 9 Cb 0.00 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.12 1gke s LYS 9 CO 0.00 -0.13 0.33 0.00 -0.36 0.00 0.00 175.35 175.19 1gke h PRO 11 N 4.36 -0.99 -6.76 0.00 0.11 -1.89 -3.45 132.00 123.39 1gke h PRO 11 Ca -0.51 0.07 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 1gke h PRO 11 Cb 1.21 0.22 0.02 0.00 0.11 0.00 0.00 31.00 32.57 1gke h PRO 11 CO 0.63 -0.64 0.51 -1.17 -0.21 0.00 0.00 178.00 177.12 1gke s LEU 12 N -9.79 4.51 -0.27 2.35 2.96 -1.25 0.15 118.68 117.34 1gke s LEU 12 Ca -0.17 2.29 -0.25 0.00 -0.22 0.00 0.00 54.13 55.78 1gke s LEU 12 Cb 0.02 -3.62 0.11 0.00 0.50 0.00 0.00 46.19 43.20 1gke s LEU 12 CO 0.53 -0.25 0.96 -0.32 -1.32 0.00 0.00 176.35 175.95 1gke s MET 13 N -1.06 0.59 0.03 1.98 -2.45 -0.77 -4.34 119.30 113.28 1gke s MET 13 Ca 0.48 0.66 0.09 0.00 -1.25 0.00 0.00 55.69 55.67 1gke s MET 13 Cb -0.33 0.29 -0.03 0.00 1.25 0.00 0.00 34.83 36.01 1gke s MET 13 CO 0.40 -0.08 -0.26 0.08 1.05 0.00 0.00 175.02 176.22 1gke s VAL 14 N 0.18 2.09 0.08 10.11 1.01 -0.81 -0.28 120.40 132.78 1gke s VAL 14 Ca 0.02 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.73 1gke s VAL 14 Cb -0.05 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1gke s VAL 14 CO -0.04 0.40 -0.15 -0.75 0.00 0.00 0.00 175.10 174.56 1gke s LYS 15 N -1.11 0.86 -0.13 2.72 2.20 0.69 0.21 119.74 125.18 1gke s LYS 15 Ca 0.11 -0.99 -0.07 0.00 -0.36 0.00 0.00 55.97 54.65 1gke s LYS 15 Cb -0.10 -0.88 0.05 0.00 -1.51 0.00 0.00 37.83 35.39 1gke s LYS 15 CO 0.01 0.19 0.32 0.08 -0.36 0.00 0.00 175.35 175.60 1gke s VAL 16 N -1.33 -0.03 0.24 4.02 1.01 -0.57 -2.28 120.40 121.47 1gke s VAL 16 Ca -0.00 0.12 0.12 0.00 0.00 0.00 0.00 61.98 62.21 1gke s VAL 16 Cb -0.10 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 1gke s VAL 16 CO 0.02 0.05 -0.21 -0.76 0.00 0.00 0.00 175.10 174.20 1gke s LEU 17 N 1.27 2.54 -0.32 3.92 1.02 -0.09 -0.77 118.68 126.26 1gke s LEU 17 Ca -0.09 -0.96 0.02 0.00 0.02 0.00 0.00 54.13 53.12 1gke s LEU 17 Cb -0.09 -1.14 0.08 0.00 0.02 0.00 0.00 46.19 45.06 1gke s LEU 17 CO -0.10 0.07 0.01 -0.62 0.02 0.00 0.00 176.35 175.73 1gke s ASP 18 N -3.17 4.75 0.00 2.29 -1.08 0.41 -1.17 116.67 118.70 1gke s ASP 18 Ca 0.26 -1.77 0.20 0.00 -0.52 0.00 0.00 52.55 50.72 1gke s ASP 18 Cb -0.06 -1.64 1.10 0.00 -1.46 0.00 0.00 42.92 40.86 1gke s ASP 18 CO 0.13 -0.32 1.59 0.00 0.52 0.00 0.00 175.17 177.08 1gke n ALA 19 N 4.40 2.15 0.01 3.66 0.00 -0.80 -2.16 120.51 127.78 1gke n ALA 19 Ca -0.05 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 1gke n ALA 19 Cb 0.42 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 1gke n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gke h VAL 20 N 0.00 0.70 -0.10 0.00 2.07 -1.94 -3.40 116.25 113.60 1gke h VAL 20 Ca 0.00 -2.36 -0.03 0.00 0.82 0.00 0.00 66.70 65.14 1gke h VAL 20 Cb 0.07 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1gke h VAL 20 CO 0.00 0.85 -0.13 0.54 0.02 0.00 0.00 177.57 178.85 1gke n ARG 21 N -3.58 1.73 -3.94 1.57 1.74 -1.20 -4.99 116.66 107.99 1gke n ARG 21 Ca -0.31 -2.89 -0.26 0.00 -0.77 0.00 0.00 57.85 53.62 1gke n ARG 21 Cb 1.02 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.82 1gke n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gke n GLY 22 N -1.15 -0.28 2.97 -0.13 0.00 -1.00 -4.97 105.19 100.64 1gke n GLY 22 Ca 0.20 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 1gke n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gke s SER 23 N -4.17 0.42 -0.08 1.61 0.15 -0.92 -4.99 113.70 105.73 1gke s SER 23 Ca 0.14 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.16 1gke s SER 23 Cb -0.07 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 1gke s SER 23 CO 0.88 -0.14 1.25 -2.16 1.20 0.00 0.00 173.24 174.27 1gke s PRO 24 N -0.93 4.31 0.19 5.44 0.04 -1.26 0.15 135.00 142.94 1gke s PRO 24 Ca -0.08 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.37 1gke s PRO 24 Cb -0.06 -3.62 -0.12 0.00 0.04 0.00 0.00 34.50 30.74 1gke s PRO 24 CO -0.00 -0.54 1.76 0.00 0.04 0.00 0.00 177.00 178.26 1gke s ALA 25 N 2.61 3.90 0.04 8.56 0.00 0.05 -4.50 121.76 132.42 1gke s ALA 25 Ca 0.57 1.56 0.03 0.00 0.00 0.00 0.00 51.96 54.13 1gke s ALA 25 Cb -0.25 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 1gke s ALA 25 CO 0.21 -1.02 -0.03 0.14 0.00 0.00 0.00 175.76 175.06 1gke s VAL 26 N 1.63 3.91 -1.13 0.00 -7.23 -1.26 -3.93 120.40 112.39 1gke s VAL 26 Ca 0.77 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1gke s VAL 26 Cb -0.49 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 33.68 1gke s VAL 26 CO 0.33 0.28 0.00 0.47 -0.31 0.00 0.00 175.10 175.87 1gke n ASP 27 N 1.13 -4.69 -4.75 4.85 8.00 0.33 -4.89 116.55 116.53 1gke n ASP 27 Ca -0.13 0.26 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 1gke n ASP 27 Cb 0.52 -3.13 -0.02 0.00 -0.02 0.00 0.00 41.12 38.47 1gke n ASP 27 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gke s VAL 28 N -2.26 2.75 -0.03 2.53 1.01 -1.26 -4.35 120.40 118.78 1gke s VAL 28 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1gke s VAL 28 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1gke s VAL 28 CO 0.00 0.11 1.08 0.00 0.00 0.00 0.00 175.10 176.29 1gke s ALA 29 N -0.20 3.35 -0.11 5.51 0.00 -1.26 -0.34 121.76 128.72 1gke s ALA 29 Ca 0.57 0.56 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1gke s ALA 29 Cb -0.41 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 1gke s ALA 29 CO 0.44 -0.50 -0.13 0.08 0.00 0.00 0.00 175.76 175.65 1gke s VAL 30 N 1.60 3.12 -0.11 0.00 1.01 0.29 -0.68 120.40 125.63 1gke s VAL 30 Ca 0.53 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1gke s VAL 30 Cb -0.23 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1gke s VAL 30 CO 0.24 0.54 -0.08 -0.54 0.00 0.00 0.00 175.10 175.26 1gke s LYS 31 N 0.01 1.54 -0.29 2.72 -0.14 -0.47 -1.73 119.74 121.38 1gke s LYS 31 Ca -0.04 -0.26 -0.09 0.00 -1.36 0.00 0.00 55.97 54.22 1gke s LYS 31 Cb -0.14 -1.59 -0.02 0.00 -1.68 0.00 0.00 37.83 34.40 1gke s LYS 31 CO 0.04 -0.26 0.14 0.08 -0.76 0.00 0.00 175.35 174.59 1gke s VAL 32 N 1.67 4.66 -0.18 3.17 1.01 -0.17 -0.79 120.40 129.78 1gke s VAL 32 Ca 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1gke s VAL 32 Cb -0.13 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1gke s VAL 32 CO -0.08 0.18 -0.04 -0.36 0.00 0.00 0.00 175.10 174.79 1gke s PHE 33 N 1.64 2.98 -0.17 5.22 0.08 -0.28 0.16 117.98 127.62 1gke s PHE 33 Ca 0.06 -0.52 -0.06 0.00 0.12 0.00 0.00 56.93 56.52 1gke s PHE 33 Cb -0.16 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 1gke s PHE 33 CO 0.06 -0.22 0.03 0.21 -0.10 0.00 0.00 175.22 175.20 1gke s LYS 34 N 0.76 3.83 0.03 0.44 2.20 -0.12 -2.04 119.74 124.83 1gke s LYS 34 Ca -0.02 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 1gke s LYS 34 Cb -0.15 -3.10 -0.06 0.00 -1.51 0.00 0.00 37.83 33.01 1gke s LYS 34 CO 0.02 0.30 1.44 0.21 -0.36 0.00 0.00 175.35 176.96 1gke s LYS 35 N 0.27 4.27 0.71 4.03 2.36 -1.02 -1.30 119.74 129.06 1gke s LYS 35 Ca 0.02 2.04 -0.12 0.00 -2.55 0.00 0.00 55.97 55.35 1gke s LYS 35 Cb -0.13 -3.53 0.17 0.00 -1.05 0.00 0.00 37.83 33.29 1gke s LYS 35 CO 0.01 -0.58 0.87 0.25 1.55 0.00 0.00 175.35 177.45 1gke n THR 36 N 4.57 0.00 0.09 3.43 -2.24 0.11 -4.72 114.28 115.52 1gke n THR 36 Ca 0.13 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 1gke n THR 36 Cb 0.43 -1.54 -0.08 0.00 -2.10 0.00 0.00 70.33 67.04 1gke n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gke h ALA 37 N -2.01 -0.28 -0.20 6.98 0.00 -1.95 -3.09 119.26 118.70 1gke h ALA 37 Ca -0.29 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1gke h ALA 37 Cb 0.82 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1gke h ALA 37 CO 0.20 -0.40 0.26 0.22 0.00 0.00 0.00 179.25 179.53 1gke h ASP 38 N -0.79 0.00 0.00 0.00 1.82 -2.03 -3.44 116.42 111.97 1gke h ASP 38 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1gke h ASP 38 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1gke h ASP 38 CO 0.05 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.29 1gke n GLY 39 N -1.38 1.80 1.50 -0.78 0.00 -1.17 -5.13 105.19 100.03 1gke n GLY 39 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1gke n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gke n SER 40 N 0.00 2.00 -4.29 1.61 3.41 -1.26 -4.86 113.62 110.23 1gke n SER 40 Ca 0.00 -1.80 -0.29 0.00 -0.26 0.00 0.00 58.87 56.52 1gke n SER 40 Cb 0.00 0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.84 1gke n SER 40 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1gke s TRP 41 N -1.31 2.13 0.22 7.33 0.52 -1.26 0.07 118.94 126.64 1gke s TRP 41 Ca 0.08 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 55.89 1gke s TRP 41 Cb -0.01 -1.34 -0.05 0.00 -1.15 0.00 0.00 33.47 30.93 1gke s TRP 41 CO 0.05 0.02 -0.16 -1.83 0.02 0.00 0.00 176.95 175.04 1gke s GLU 42 N -0.79 1.42 0.39 4.98 -1.05 -0.42 -4.93 118.70 118.29 1gke s GLU 42 Ca 0.10 -1.62 -0.26 0.00 -0.15 0.00 0.00 54.97 53.04 1gke s GLU 42 Cb -0.09 -1.32 -0.09 0.00 -0.44 0.00 0.00 34.13 32.19 1gke s GLU 42 CO 0.00 0.23 1.17 -2.14 0.95 0.00 0.00 175.26 175.48 1gke s PRO 43 N -3.52 4.11 -0.01 -4.83 0.02 -1.26 -0.95 135.00 128.56 1gke s PRO 43 Ca 0.24 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1gke s PRO 43 Cb -0.02 -2.72 -0.01 0.00 0.02 0.00 0.00 34.50 31.77 1gke s PRO 43 CO 0.09 -0.28 -0.00 0.34 -0.33 0.00 0.00 177.00 176.82 1gke n PHE 44 N 0.17 0.00 -3.56 6.54 7.35 0.12 -4.71 117.46 123.38 1gke n PHE 44 Ca 0.04 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.67 1gke n PHE 44 Cb 0.46 -0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.25 1gke n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1gke s ALA 45 N -2.01 -1.95 -0.00 3.13 0.00 -1.07 -4.96 121.76 114.90 1gke s ALA 45 Ca -0.00 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 1gke s ALA 45 Cb 0.00 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1gke s ALA 45 CO 0.02 -0.67 0.42 -1.12 0.00 0.00 0.00 175.76 174.42 1gke s SER 46 N -2.38 -0.32 0.00 0.00 0.01 -1.26 -1.00 113.70 108.75 1gke s SER 46 Ca 0.08 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1gke s SER 46 Cb -0.01 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1gke s SER 46 CO -0.06 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1gke n GLY 47 N 0.93 0.88 3.86 3.44 0.00 -0.70 -5.03 105.19 108.57 1gke n GLY 47 Ca -0.20 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 1gke n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gke s LYS 48 N -2.00 3.49 0.22 1.61 1.02 -1.26 -0.54 119.74 122.27 1gke s LYS 48 Ca 0.00 -0.15 -0.31 0.00 0.02 0.00 0.00 55.97 55.54 1gke s LYS 48 Cb 0.00 -3.20 -0.10 0.00 -0.52 0.00 0.00 37.83 34.01 1gke s LYS 48 CO 0.00 0.74 1.53 0.99 -0.92 0.00 0.00 175.35 177.69 1gke s THR 49 N -0.91 2.51 0.74 2.17 2.01 0.54 -4.79 115.64 117.91 1gke s THR 49 Ca 0.14 0.40 -0.12 0.00 0.31 0.00 0.00 61.69 62.42 1gke s THR 49 Cb -0.12 -3.26 0.19 0.00 0.01 0.00 0.00 72.50 69.32 1gke s THR 49 CO 0.03 0.05 0.58 0.00 -0.69 0.00 0.00 174.62 174.60 1gke n ALA 50 N 2.99 -2.28 1.12 7.40 0.00 -0.80 0.12 120.51 129.08 1gke n ALA 50 Ca 0.10 -0.91 0.10 0.00 0.00 0.00 0.00 53.44 52.73 1gke n ALA 50 Cb 0.39 -0.07 0.55 0.00 0.00 0.00 0.00 19.45 20.32 1gke n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gke n GLU 51 N -3.65 0.49 -0.06 0.00 -0.58 -1.26 -3.06 120.64 112.52 1gke n GLU 51 Ca 0.08 0.04 0.03 0.00 -0.42 0.00 0.00 57.16 56.89 1gke n GLU 51 Cb 0.34 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.75 1gke n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1gke n SER 52 N -1.11 1.68 0.00 1.62 3.41 -1.26 -4.86 113.62 113.10 1gke n SER 52 Ca 0.13 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 1gke n SER 52 Cb 0.10 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1gke n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gke n GLY 53 N -0.67 2.89 3.85 5.00 0.00 -1.17 -4.81 105.19 110.28 1gke n GLY 53 Ca 0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1gke n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gke s GLU 54 N 0.00 3.94 -0.32 1.61 2.02 -1.26 -1.50 118.70 123.18 1gke s GLU 54 Ca 0.00 0.78 -0.01 0.00 0.02 0.00 0.00 54.97 55.76 1gke s GLU 54 Cb 0.00 -2.27 0.13 0.00 0.10 0.00 0.00 34.13 32.09 1gke s GLU 54 CO 0.00 -0.10 0.22 -1.17 0.02 0.00 0.00 175.26 174.23 1gke s LEU 55 N -3.72 0.48 0.50 1.80 2.96 0.13 -1.90 118.68 118.94 1gke s LEU 55 Ca 0.56 -1.57 0.03 0.00 -0.22 0.00 0.00 54.13 52.93 1gke s LEU 55 Cb -0.10 -0.09 -0.01 0.00 0.50 0.00 0.00 46.19 46.48 1gke s LEU 55 CO 0.27 -0.36 0.08 -1.38 -1.32 0.00 0.00 176.35 173.64 1gke s HIS 56 N 1.67 1.92 -0.78 5.38 -3.43 -1.26 -1.93 115.29 116.86 1gke s HIS 56 Ca 0.14 -0.89 0.00 0.00 -0.80 0.00 0.00 55.06 53.51 1gke s HIS 56 Cb -0.18 -1.70 0.00 0.00 -1.43 0.00 0.00 32.58 29.27 1gke s HIS 56 CO -0.18 0.12 0.00 0.41 -2.00 0.00 0.00 174.74 173.10 1gke n GLY 57 N -1.33 0.09 0.25 -1.38 0.00 -1.26 -4.95 105.19 96.61 1gke n GLY 57 Ca -0.14 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1gke n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gke h LEU 58 N 0.00 -0.48-10.25 0.99 3.38 -1.83 -3.47 115.31 103.66 1gke h LEU 58 Ca -0.21 -0.06 -0.63 0.00 0.09 0.00 0.00 57.88 57.08 1gke h LEU 58 Cb 1.11 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1gke h LEU 58 CO 0.25 -0.04 -0.38 0.42 0.09 0.00 0.00 178.44 178.78 1gke s THR 59 N -3.73 1.39 -0.09 0.22 -4.23 -1.26 -4.83 115.64 103.11 1gke s THR 59 Ca -0.10 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 58.66 1gke s THR 59 Cb 0.01 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 1gke s THR 59 CO 0.34 0.00 0.12 0.42 -0.54 0.00 0.00 174.62 174.96 1gke s THR 60 N -2.83 5.23 -1.80 3.99 -4.23 -1.26 -4.85 115.64 109.90 1gke s THR 60 Ca 0.21 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 1gke s THR 60 Cb -0.01 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1gke s THR 60 CO 0.13 0.56 0.26 -0.67 -0.54 0.00 0.00 174.62 174.36 1gke n ASP 61 N 1.80 0.00 0.00 3.99 -0.08 -1.26 -0.97 116.55 120.03 1gke n ASP 61 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1gke n ASP 61 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1gke n ASP 61 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1gke n GLU 62 N -0.74 2.60 0.03 -0.67 1.02 -1.26 -4.68 120.64 116.93 1gke n GLU 62 Ca 0.00 -0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.17 1gke n GLU 62 Cb 0.00 -0.24 -0.08 0.00 -0.02 0.00 0.00 31.44 31.10 1gke n GLU 62 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1gke n LYS 63 N -0.38 0.63 -2.57 3.49 4.81 -0.14 -4.51 118.16 119.50 1gke n LYS 63 Ca 0.00 0.10 -0.43 0.00 -0.87 0.00 0.00 58.31 57.11 1gke n LYS 63 Cb 0.01 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1gke n LYS 63 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1gke n PHE 64 N -2.71 4.60 -3.17 5.64 7.35 -0.73 -4.92 117.46 123.51 1gke n PHE 64 Ca -0.08 -2.93 -0.18 0.00 -0.76 0.00 0.00 57.45 53.49 1gke n PHE 64 Cb 0.74 -2.55 0.01 0.00 0.35 0.00 0.00 39.48 38.02 1gke n PHE 64 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1gke s THR 65 N 3.65 2.78 0.22 -2.13 -1.32 -1.26 -4.97 115.64 112.60 1gke s THR 65 Ca 0.51 -1.10 -0.28 0.00 -1.21 0.00 0.00 61.69 59.62 1gke s THR 65 Cb 0.04 -2.87 -0.16 0.00 -1.51 0.00 0.00 72.50 67.99 1gke s THR 65 CO 0.05 0.00 0.60 1.21 -2.21 0.00 0.00 174.62 174.27 1gke n GLU 66 N -1.82 0.24 0.00 7.08 2.13 -1.26 -4.85 120.64 122.16 1gke n GLU 66 Ca 0.08 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1gke n GLU 66 Cb 0.60 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 31.16 1gke n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gke n GLY 67 N 1.87 0.36 3.82 8.31 0.00 -0.82 -4.98 105.19 113.74 1gke n GLY 67 Ca 0.16 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 1gke n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gke s VAL 68 N -1.86 4.75 0.20 1.61 1.01 -1.26 -0.99 120.40 123.86 1gke s VAL 68 Ca 0.00 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.16 1gke s VAL 68 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1gke s VAL 68 CO 0.00 0.49 -0.00 -0.31 0.00 0.00 0.00 175.10 175.28 1gke s TYR 69 N -1.18 1.37 -0.27 5.22 1.51 0.15 -2.43 117.35 121.72 1gke s TYR 69 Ca 0.31 -0.97 -0.00 0.00 -1.01 0.00 0.00 57.07 55.39 1gke s TYR 69 Cb -0.19 -0.78 0.16 0.00 -0.11 0.00 0.00 41.96 41.04 1gke s TYR 69 CO 0.19 -0.13 0.44 0.50 -1.11 0.00 0.00 175.55 175.44 1gke s ARG 70 N -3.89 0.42 -0.20 -0.62 3.52 -0.87 -1.82 118.95 115.49 1gke s ARG 70 Ca 0.26 0.49 -0.19 0.00 -0.13 0.00 0.00 55.73 56.16 1gke s ARG 70 Cb 0.06 -0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.22 1gke s ARG 70 CO 0.06 -0.78 0.56 0.08 -0.81 0.00 0.00 175.30 174.40 1gke s VAL 71 N 2.62 5.07 -0.24 7.11 1.01 -0.49 -1.12 120.40 134.36 1gke s VAL 71 Ca 0.13 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.14 1gke s VAL 71 Cb -0.14 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1gke s VAL 71 CO -0.22 0.15 -0.08 -0.70 0.00 0.00 0.00 175.10 174.25 1gke s GLU 72 N 1.76 2.73 -0.36 2.72 2.12 0.03 0.74 118.70 128.46 1gke s GLU 72 Ca 0.26 -1.04 -0.12 0.00 0.36 0.00 0.00 54.97 54.43 1gke s GLU 72 Cb -0.16 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1gke s GLU 72 CO 0.10 -0.42 0.23 -0.51 -0.54 0.00 0.00 175.26 174.12 1gke s LEU 73 N 1.28 4.60 -0.83 2.70 1.43 0.11 -1.37 118.68 126.60 1gke s LEU 73 Ca -0.01 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 1gke s LEU 73 Cb -0.17 -2.09 -0.18 0.00 0.03 0.00 0.00 46.19 43.78 1gke s LEU 73 CO -0.06 -0.30 1.90 -0.67 0.23 0.00 0.00 176.35 177.45 1gke n ASP 74 N 5.07 2.34 0.09 2.29 2.03 0.14 -2.25 116.55 126.27 1gke n ASP 74 Ca -0.12 -2.64 0.02 0.00 0.52 0.00 0.00 54.79 52.56 1gke n ASP 74 Cb 0.48 -1.31 0.36 0.00 -0.72 0.00 0.00 41.12 39.94 1gke n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1gke h THR 75 N 5.39 1.19 -0.58 5.18 1.35 -1.87 -3.28 112.91 120.29 1gke h THR 75 Ca 0.28 -0.82 -0.05 0.00 -0.55 0.00 0.00 66.41 65.27 1gke h THR 75 Cb 0.80 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 1gke h THR 75 CO 1.61 0.26 0.16 0.50 -0.25 0.00 0.00 175.52 177.80 1gke h LYS 76 N 0.29 0.92 0.00 4.72 3.64 -1.78 -2.39 116.57 121.96 1gke h LYS 76 Ca 0.06 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 1gke h LYS 76 Cb 0.39 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1gke h LYS 76 CO 0.02 0.84 -0.55 0.66 -2.27 0.00 0.00 179.45 178.16 1gke h SER 77 N 0.83 0.00 0.37 4.20 4.64 -1.88 0.53 113.55 122.24 1gke h SER 77 Ca 0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1gke h SER 77 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1gke h SER 77 CO -0.00 0.55 -0.20 0.22 -0.87 0.00 0.00 176.83 176.53 1gke h TYR 78 N 0.00 -0.51 -0.03 4.77 5.03 -1.58 -1.30 116.97 123.36 1gke h TYR 78 Ca -0.01 -0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.14 1gke h TYR 78 Cb 1.02 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.46 1gke h TYR 78 CO 0.00 -0.31 -0.68 -1.49 -1.32 0.00 0.00 178.16 174.36 1gke h TRP 79 N -0.53 0.17 0.00 -3.82 4.06 -1.35 -2.91 115.95 111.58 1gke h TRP 79 Ca -0.05 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 1gke h TRP 79 Cb 0.42 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1gke h TRP 79 CO -0.06 0.76 -0.05 -0.22 -3.56 0.00 0.00 178.44 175.31 1gke h LYS 80 N 0.09 0.00 0.00 0.49 3.64 -0.58 -1.97 116.57 118.25 1gke h LYS 80 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1gke h LYS 80 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1gke h LYS 80 CO 0.10 0.05 -0.27 0.00 -2.27 0.00 0.00 179.45 177.06 1gke h ALA 81 N 1.95 0.95 -0.45 5.00 0.00 -1.02 -3.29 119.26 122.40 1gke h ALA 81 Ca -0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 1gke h ALA 81 Cb 0.30 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.90 1gke h ALA 81 CO 0.01 0.33 -0.04 1.47 0.00 0.00 0.00 179.25 181.02 1gke n LEU 82 N -3.34 4.52 0.00 0.00 -0.00 -0.89 -4.95 117.00 112.34 1gke n LEU 82 Ca 0.01 -3.87 0.00 0.00 -0.00 0.00 0.00 56.01 52.15 1gke n LEU 82 Cb 0.50 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1gke n LEU 82 CO 0.35 1.33 0.00 0.61 -0.00 0.00 0.00 177.39 179.67 1gke n GLY 83 N -1.10 0.86 3.48 1.47 0.00 -1.24 -5.02 105.19 103.64 1gke n GLY 83 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 1gke n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gke s ILE 84 N -3.43 4.01 -0.39 -0.61 1.01 -0.79 -5.02 121.20 115.98 1gke s ILE 84 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 1gke s ILE 84 Cb 0.00 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.69 1gke s ILE 84 CO 0.00 0.46 0.73 -0.55 0.00 0.00 0.00 174.94 175.57 1gke s SER 85 N 0.70 6.46 0.68 3.58 0.15 -1.26 -2.50 113.70 121.51 1gke s SER 85 Ca -0.01 0.12 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 1gke s SER 85 Cb -0.14 -2.37 -0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1gke s SER 85 CO 0.02 -0.74 1.06 -2.84 1.20 0.00 0.00 173.24 171.94 1gke s PRO 86 N 3.01 3.05 -0.07 5.44 0.02 -1.26 -5.00 135.00 140.18 1gke s PRO 86 Ca 0.28 0.75 -0.02 0.00 0.02 0.00 0.00 61.00 62.03 1gke s PRO 86 Cb -0.13 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 1gke s PRO 86 CO 0.18 -0.96 0.08 0.35 -0.33 0.00 0.00 177.00 176.32 1gke h PHE 87 N -0.61 -0.06 -3.91 6.54 3.57 -1.68 -3.46 116.94 117.33 1gke h PHE 87 Ca -0.45 -0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.53 1gke h PHE 87 Cb 1.22 0.02 0.07 0.00 2.79 0.00 0.00 35.95 40.05 1gke h PHE 87 CO 0.59 -0.04 0.61 -1.01 -2.23 0.00 0.00 178.31 176.23 1gke s HIS 88 N -1.67 2.97 0.19 0.41 3.76 -1.26 -4.93 115.29 114.77 1gke s HIS 88 Ca -0.01 1.44 0.14 0.00 -0.15 0.00 0.00 55.06 56.48 1gke s HIS 88 Cb 0.00 -3.63 0.40 0.00 1.11 0.00 0.00 32.58 30.46 1gke s HIS 88 CO 0.03 -1.85 1.61 0.93 -0.85 0.00 0.00 174.74 174.61 1gke h GLU 89 N 3.02 0.00 -1.43 1.40 4.39 -2.00 -3.40 114.58 116.56 1gke h GLU 89 Ca -0.49 0.00 0.39 0.00 0.34 0.00 0.00 59.36 59.60 1gke h GLU 89 Cb 1.23 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.77 1gke h GLU 89 CO 0.64 0.56 0.98 1.52 -1.16 0.00 0.00 179.01 181.55 1gke s TYR 90 N -3.47 -0.00 -0.08 4.33 1.13 -1.26 -4.19 117.35 113.80 1gke s TYR 90 Ca -0.00 -0.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.68 1gke s TYR 90 Cb 0.11 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.49 1gke s TYR 90 CO 0.74 -0.05 -0.20 0.00 -2.51 0.00 0.00 175.55 173.52 1gke s ALA 91 N -2.05 1.88 0.09 9.51 0.00 -0.95 -4.91 121.76 125.32 1gke s ALA 91 Ca 0.21 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1gke s ALA 91 Cb 0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1gke s ALA 91 CO -0.05 0.25 -0.16 -1.83 0.00 0.00 0.00 175.76 173.97 1gke s GLU 92 N 0.37 0.92 -0.27 0.00 -1.05 -1.26 0.08 118.70 117.50 1gke s GLU 92 Ca -0.16 -1.04 -0.00 0.00 -0.15 0.00 0.00 54.97 53.62 1gke s GLU 92 Cb -0.17 -0.98 0.08 0.00 -0.44 0.00 0.00 34.13 32.62 1gke s GLU 92 CO 0.07 0.22 0.04 0.08 0.95 0.00 0.00 175.26 176.62 1gke s VAL 93 N -1.34 1.13 -0.30 1.83 1.01 0.23 -4.94 120.40 118.03 1gke s VAL 93 Ca 0.01 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 1gke s VAL 93 Cb -0.09 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1gke s VAL 93 CO 0.03 -0.43 0.29 -0.69 0.00 0.00 0.00 175.10 174.31 1gke s VAL 94 N 1.53 5.23 0.19 2.92 1.01 -1.26 -1.39 120.40 128.63 1gke s VAL 94 Ca 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1gke s VAL 94 Cb -0.18 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1gke s VAL 94 CO -0.15 0.11 0.11 0.72 0.00 0.00 0.00 175.10 175.89 1gke s PHE 95 N 1.91 1.12 -0.38 5.22 -0.71 -0.76 -4.96 117.98 119.42 1gke s PHE 95 Ca 0.11 -1.33 0.01 0.00 -1.04 0.00 0.00 56.93 54.68 1gke s PHE 95 Cb -0.16 -0.56 0.11 0.00 -1.21 0.00 0.00 43.02 41.19 1gke s PHE 95 CO 0.11 -0.59 0.13 0.95 -1.34 0.00 0.00 175.22 174.47 1gke s THR 96 N -4.10 2.69 0.87 -4.49 -4.23 -1.26 0.31 115.64 105.42 1gke s THR 96 Ca 0.35 -2.30 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 1gke s THR 96 Cb 0.07 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 71.11 1gke s THR 96 CO 0.10 -0.65 1.11 0.00 -0.54 0.00 0.00 174.62 174.64 1gke s ALA 97 N 0.91 1.70 0.16 3.99 0.00 -0.16 -4.88 121.76 123.48 1gke s ALA 97 Ca 0.10 0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1gke s ALA 97 Cb -0.21 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.64 1gke s ALA 97 CO -0.06 -2.35 0.56 1.21 0.00 0.00 0.00 175.76 175.12 1gke s ASN 98 N -3.07 -0.47 0.00 0.00 3.84 -1.26 -1.95 114.94 112.03 1gke s ASN 98 Ca 0.64 -0.12 0.13 0.00 0.21 0.00 0.00 52.86 53.72 1gke s ASN 98 Cb -0.20 0.58 0.52 0.00 -0.55 0.00 0.00 41.25 41.59 1gke s ASN 98 CO 0.57 -0.96 1.37 0.47 -2.79 0.00 0.00 177.10 175.76 1gke n ASP 99 N -0.35 1.18 0.07 -4.21 8.00 -1.26 -3.87 116.55 116.11 1gke n ASP 99 Ca -0.16 -1.82 0.07 0.00 0.71 0.00 0.00 54.79 53.59 1gke n ASP 99 Cb 0.64 -0.12 0.33 0.00 -0.02 0.00 0.00 41.12 41.96 1gke n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1gke n SER 100 N 0.07 0.29 0.00 -2.24 3.41 -1.26 -4.96 113.62 108.93 1gke n SER 100 Ca 0.11 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1gke n SER 100 Cb 0.22 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1gke n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gke n GLY 101 N -0.72 0.47 4.17 5.00 0.00 -1.25 -5.02 105.19 107.85 1gke n GLY 101 Ca 0.01 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 1gke n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1gke n HIS 102 N 2.24 -1.34 0.19 1.61 -0.00 -1.26 -4.74 115.22 111.92 1gke n HIS 102 Ca 0.00 0.28 0.02 0.00 -0.00 0.00 0.00 57.72 58.02 1gke n HIS 102 Cb 0.00 -2.80 0.10 0.00 -0.00 0.00 0.00 29.99 27.29 1gke n HIS 102 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1gke n ARG 103 N -4.89 0.06 -4.86 -1.40 5.12 -1.07 -4.51 116.66 105.12 1gke n ARG 103 Ca -0.20 0.24 -0.25 0.00 -1.93 0.00 0.00 57.85 55.71 1gke n ARG 103 Cb 0.62 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.26 1gke n ARG 103 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1gke s HIS 104 N -2.55 1.62 -0.01 -1.55 3.76 -1.06 -4.55 115.29 110.95 1gke s HIS 104 Ca 0.04 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 1gke s HIS 104 Cb 0.03 -1.04 -0.00 0.00 1.11 0.00 0.00 32.58 32.68 1gke s HIS 104 CO 0.06 -0.03 -0.05 0.71 -0.85 0.00 0.00 174.74 174.58 1gke s TYR 105 N -0.43 0.48 -0.09 1.40 1.51 0.12 -1.58 117.35 118.75 1gke s TYR 105 Ca 0.07 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1gke s TYR 105 Cb -0.07 -0.32 0.02 0.00 -0.11 0.00 0.00 41.96 41.48 1gke s TYR 105 CO -0.01 -0.02 -0.12 -0.08 -1.11 0.00 0.00 175.55 174.21 1gke s THR 106 N -0.06 1.24 -0.15 -0.71 -1.32 -0.99 -1.85 115.64 111.80 1gke s THR 106 Ca 0.01 -0.49 -0.08 0.00 -1.21 0.00 0.00 61.69 59.92 1gke s THR 106 Cb -0.03 -1.16 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 1gke s THR 106 CO -0.00 0.39 0.13 -0.63 -2.21 0.00 0.00 174.62 172.30 1gke s ILE 107 N 1.04 5.42 0.15 5.08 -1.09 0.62 -3.08 121.20 129.34 1gke s ILE 107 Ca -0.07 0.18 0.11 0.00 -2.23 0.00 0.00 60.65 58.64 1gke s ILE 107 Cb -0.15 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1gke s ILE 107 CO -0.01 0.56 -0.23 0.00 -1.23 0.00 0.00 174.94 174.02 1gke s ALA 108 N -0.55 2.52 0.02 9.38 0.00 -0.54 -0.22 121.76 132.38 1gke s ALA 108 Ca 0.12 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.61 1gke s ALA 108 Cb -0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1gke s ALA 108 CO 0.02 0.51 -0.10 0.00 0.00 0.00 0.00 175.76 176.19 1gke s ALA 109 N -1.31 0.81 -0.53 0.00 0.00 -0.97 -2.11 121.76 117.66 1gke s ALA 109 Ca 0.18 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.59 1gke s ALA 109 Cb -0.09 -0.12 0.22 0.00 0.00 0.00 0.00 23.12 23.12 1gke s ALA 109 CO 0.09 0.14 0.54 -0.11 0.00 0.00 0.00 175.76 176.42 1gke n LEU 110 N 2.21 1.60 -4.76 0.00 -0.00 -0.99 -0.91 117.00 114.15 1gke n LEU 110 Ca -0.17 -4.94 -0.40 0.00 -0.00 0.00 0.00 56.01 50.50 1gke n LEU 110 Cb 0.56 -0.02 -0.03 0.00 -0.00 0.00 0.00 43.42 43.92 1gke n LEU 110 CO 0.23 1.96 0.87 -0.76 -0.00 0.00 0.00 177.39 179.69 1gke s LEU 111 N -1.34 4.50 -0.12 -1.96 1.43 -0.32 -3.44 118.68 117.43 1gke s LEU 111 Ca 0.34 2.42 -0.21 0.00 -1.03 0.00 0.00 54.13 55.65 1gke s LEU 111 Cb 0.10 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1gke s LEU 111 CO -0.11 -0.30 0.53 -0.55 0.23 0.00 0.00 176.35 176.15 1gke s SER 112 N -0.66 -0.51 0.19 2.29 0.15 -0.56 -1.90 113.70 112.70 1gke s SER 112 Ca 0.47 0.78 -0.06 0.00 0.70 0.00 0.00 55.95 57.84 1gke s SER 112 Cb -0.35 0.79 0.31 0.00 -1.71 0.00 0.00 66.02 65.06 1gke s SER 112 CO 0.45 -0.36 1.06 -2.65 1.20 0.00 0.00 173.24 172.94 1gke n PRO 113 N 1.96 -0.06 -0.37 5.44 -0.02 -1.26 -1.24 135.00 139.45 1gke n PRO 113 Ca -0.17 1.06 0.08 0.00 -2.02 0.00 0.00 63.50 62.45 1gke n PRO 113 Cb 0.56 -1.58 0.18 0.00 -0.02 0.00 0.00 33.50 32.64 1gke n PRO 113 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1gke n TYR 114 N -5.10 0.03 -3.62 6.00 4.02 -1.26 -1.65 117.16 115.57 1gke n TYR 114 Ca 0.11 -1.27 -0.11 0.00 -0.01 0.00 0.00 57.90 56.62 1gke n TYR 114 Cb 0.34 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.38 1gke n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1gke s SER 115 N -3.06 -0.51 -0.12 7.72 0.15 -0.37 -5.00 113.70 112.52 1gke s SER 115 Ca 0.35 0.92 -0.06 0.00 0.70 0.00 0.00 55.95 57.86 1gke s SER 115 Cb 0.33 0.91 0.05 0.00 -1.71 0.00 0.00 66.02 65.60 1gke s SER 115 CO -0.02 -0.21 0.28 -0.72 1.20 0.00 0.00 173.24 173.77 1gke s TYR 116 N 0.04 -0.38 -0.08 3.44 -0.85 -1.26 -1.49 117.35 116.77 1gke s TYR 116 Ca 0.01 0.88 -0.03 0.00 -0.52 0.00 0.00 57.07 57.41 1gke s TYR 116 Cb -0.04 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 1gke s TYR 116 CO -0.03 -0.25 0.07 -1.12 -1.52 0.00 0.00 175.55 172.70 1gke s SER 117 N 1.20 5.74 -0.07 -0.18 0.01 -1.22 -4.95 113.70 114.22 1gke s SER 117 Ca -0.09 0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.49 1gke s SER 117 Cb -0.09 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 1gke s SER 117 CO -0.09 0.37 -0.25 0.28 0.41 0.00 0.00 173.24 173.97 1gke s THR 118 N -0.99 2.05 -0.09 1.44 -1.32 -1.26 -2.34 115.64 113.13 1gke s THR 118 Ca 0.16 -1.04 0.03 0.00 -1.21 0.00 0.00 61.69 59.62 1gke s THR 118 Cb -0.12 -1.75 0.01 0.00 -1.51 0.00 0.00 72.50 69.13 1gke s THR 118 CO 0.05 0.56 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.94 1gke s THR 119 N 0.03 1.70 0.16 5.08 2.01 -0.89 -4.95 115.64 118.77 1gke s THR 119 Ca -0.09 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 1gke s THR 119 Cb -0.15 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.81 1gke s THR 119 CO 0.06 0.48 0.40 0.00 -0.69 0.00 0.00 174.62 174.87 1gke s ALA 120 N 0.50 3.76 -0.29 7.40 0.00 -1.26 -1.46 121.76 130.41 1gke s ALA 120 Ca -0.17 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1gke s ALA 120 Cb -0.17 -2.16 0.17 0.00 0.00 0.00 0.00 23.12 20.96 1gke s ALA 120 CO 0.06 0.65 0.45 0.08 0.00 0.00 0.00 175.76 177.00 1gke s VAL 121 N -1.69 -0.72 0.06 0.00 1.01 -1.18 -5.00 120.40 112.89 1gke s VAL 121 Ca 0.42 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1gke s VAL 121 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1gke s VAL 121 CO 0.24 -0.22 0.17 0.68 0.00 0.00 0.00 175.10 175.97 1gke s VAL 122 N 2.61 5.12 0.10 2.92 -7.23 -1.26 -2.35 120.40 120.31 1gke s VAL 122 Ca 0.10 -0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 59.76 1gke s VAL 122 Cb -0.12 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1gke s VAL 122 CO -0.29 0.15 0.04 -0.55 -0.31 0.00 0.00 175.10 174.15 1gke s SER 123 N -2.41 0.36 -0.12 4.85 0.15 -0.62 -5.01 113.70 110.89 1gke s SER 123 Ca 0.32 -1.06 0.02 0.00 0.70 0.00 0.00 55.95 55.94 1gke s SER 123 Cb -0.13 0.27 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 1gke s SER 123 CO 0.25 -0.68 -0.19 0.21 1.20 0.00 0.00 173.24 174.03 1gke s ASN 124 N -2.98 2.81 1.05 5.45 2.47 -1.26 -2.57 114.94 119.90 1gke s ASN 124 Ca 0.15 -0.52 -0.15 0.00 0.42 0.00 0.00 52.86 52.75 1gke s ASN 124 Cb 0.07 -1.28 0.21 0.00 -1.45 0.00 0.00 41.25 38.80 1gke s ASN 124 CO -0.04 0.05 1.12 -0.81 -3.72 0.00 0.00 177.10 173.70 1gke n PRO 125 N 4.12 -1.52 -2.82 0.43 -0.04 -1.26 -4.98 135.00 128.92 1gke n PRO 125 Ca -0.19 -1.75 -0.43 0.00 -0.04 0.00 0.00 63.50 61.09 1gke n PRO 125 Cb 0.51 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1gke n PRO 125 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1gke s GLN 126 N -5.47 3.83 0.00 0.54 -0.44 -1.26 -5.09 119.66 111.78 1gke s GLN 126 Ca 0.65 0.55 0.09 0.00 -2.50 0.00 0.00 55.36 54.15 1gke s GLN 126 Cb -0.03 -3.80 0.55 0.00 -1.64 0.00 0.00 33.01 28.09 1gke s GLN 126 CO 0.47 -0.94 1.00 0.09 0.50 0.00 0.00 175.29 176.41