#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n PRO 8 N 0.00 0.00 -3.07 3.23 -0.02 -1.26 -4.87 135.00 129.01 3kit n PRO 8 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3kit n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kit n PRO 8 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3kit n ILE 9 N 0.00 -9.94 -2.97 4.25 0.00 -1.26 -4.71 119.36 104.73 3kit n ILE 9 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 62.75 62.26 3kit n ILE 9 Cb 0.00 -6.77 -0.05 0.00 0.00 0.00 0.00 39.64 32.82 3kit n ILE 9 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3kit s PRO 10 N -3.04 3.73 -0.11 9.51 0.04 -1.26 -2.34 135.00 141.53 3kit s PRO 10 Ca 0.04 0.27 -0.27 0.00 0.04 0.00 0.00 61.00 61.07 3kit s PRO 10 Cb -0.01 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.70 3kit s PRO 10 CO 0.76 -0.85 0.89 0.08 0.04 0.00 0.00 177.00 177.92 3kit s VAL 11 N 3.08 4.87 1.14 -0.36 1.01 -1.26 -4.98 120.40 123.90 3kit s VAL 11 Ca 0.31 1.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.89 3kit s VAL 11 Cb -0.13 -4.21 0.27 0.00 0.00 0.00 0.00 36.38 32.31 3kit s VAL 11 CO 0.17 0.07 1.22 -2.84 0.00 0.00 0.00 175.10 173.72 3kit s PRO 12 N 1.75 -0.74 0.00 2.72 0.02 -1.26 -4.65 135.00 132.83 3kit s PRO 12 Ca 0.43 -0.34 0.00 0.00 0.02 0.00 0.00 61.00 61.11 3kit s PRO 12 Cb -0.18 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.66 3kit s PRO 12 CO 0.17 -3.34 0.00 1.17 -0.33 0.00 0.00 177.00 174.67 3kit n LYS 13 N -4.44 0.00 -0.22 5.54 3.00 -1.26 -3.79 118.16 116.99 3kit n LYS 13 Ca 0.16 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.65 3kit n LYS 13 Cb 0.60 -0.24 0.30 0.00 0.00 0.00 0.00 35.03 35.68 3kit n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kit n GLY 14 N 0.00 -0.36 3.79 3.14 0.00 -1.26 -4.58 105.19 105.92 3kit n GLY 14 Ca 0.00 0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 3kit n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kit s VAL 15 N -4.16 4.00 -0.10 1.61 -7.23 -1.25 -4.64 120.40 108.62 3kit s VAL 15 Ca -0.03 1.41 -0.01 0.00 -1.81 0.00 0.00 61.98 61.54 3kit s VAL 15 Cb 0.12 -3.67 0.03 0.00 0.56 0.00 0.00 36.38 33.43 3kit s VAL 15 CO 0.35 -0.11 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.57 3kit s SER 16 N -1.82 1.99 -0.25 4.85 0.01 -0.01 -4.83 113.70 113.63 3kit s SER 16 Ca 0.60 -0.26 -0.13 0.00 1.31 0.00 0.00 55.95 57.46 3kit s SER 16 Cb -0.17 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 3kit s SER 16 CO 0.21 -0.18 0.27 -0.69 0.41 0.00 0.00 173.24 173.26 3kit s VAL 17 N 1.86 5.27 0.34 3.43 1.01 -1.26 -2.27 120.40 128.77 3kit s VAL 17 Ca 0.04 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.50 3kit s VAL 17 Cb -0.13 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3kit s VAL 17 CO -0.07 0.25 0.02 -1.61 0.00 0.00 0.00 175.10 173.70 3kit s GLU 18 N 1.54 2.10 -0.05 2.72 0.41 -0.71 -4.41 118.70 120.31 3kit s GLU 18 Ca 0.12 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 52.95 3kit s GLU 18 Cb -0.15 -1.95 0.02 0.00 -1.78 0.00 0.00 34.13 30.28 3kit s GLU 18 CO 0.08 0.13 -0.03 0.08 -0.49 0.00 0.00 175.26 175.03 3kit s VAL 19 N -2.51 0.47 0.03 2.63 1.01 -1.26 -3.02 120.40 117.75 3kit s VAL 19 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3kit s VAL 19 Cb -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3kit s VAL 19 CO 0.20 0.22 0.02 0.00 0.00 0.00 0.00 175.10 175.54 3kit n ALA 20 N 4.28 0.05 0.00 5.51 0.00 -1.25 -4.98 120.51 124.12 3kit n ALA 20 Ca -0.21 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 3kit n ALA 20 Cb 0.51 0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 3kit n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kit h PRO 21 N 0.00 -0.47 -0.13 0.00 0.11 -2.00 -3.34 132.00 126.18 3kit h PRO 21 Ca -0.02 0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.94 3kit h PRO 21 Cb 0.08 0.11 -0.31 0.00 0.11 0.00 0.00 31.00 30.98 3kit h PRO 21 CO 0.03 -0.31 -0.92 0.41 -0.21 0.00 0.00 178.00 177.00 3kit n GLY 22 N -1.35 2.40 0.00 -0.55 0.00 -1.26 -4.89 105.19 99.54 3kit n GLY 22 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3kit n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit n ARG 23 N -0.12 2.84 0.00 1.61 1.74 -1.25 -0.20 116.66 121.28 3kit n ARG 23 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3kit n ARG 23 Cb 0.98 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.42 3kit n ARG 23 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3kit n VAL 24 N 0.00 0.00 -2.32 1.55 3.14 -1.24 -3.87 118.33 115.59 3kit n VAL 24 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 3kit n VAL 24 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 3kit n VAL 24 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3kit s LYS 25 N 0.00 3.56 -0.30 1.45 1.02 -1.17 -2.63 119.74 121.68 3kit s LYS 25 Ca 0.00 1.61 -0.03 0.00 0.02 0.00 0.00 55.97 57.56 3kit s LYS 25 Cb 0.00 -2.14 0.11 0.00 -0.52 0.00 0.00 37.83 35.27 3kit s LYS 25 CO 0.00 -0.67 0.14 0.08 -0.92 0.00 0.00 175.35 173.98 3kit s VAL 26 N -1.74 -0.04 0.07 3.17 1.01 -0.44 -1.74 120.40 120.68 3kit s VAL 26 Ca 0.69 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 3kit s VAL 26 Cb -0.24 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.08 3kit s VAL 26 CO 0.28 -0.77 0.45 -0.54 0.00 0.00 0.00 175.10 174.52 3kit s LYS 27 N 1.95 3.89 0.35 2.72 1.02 -0.96 -1.81 119.74 126.89 3kit s LYS 27 Ca 0.10 0.36 -0.06 0.00 0.02 0.00 0.00 55.97 56.40 3kit s LYS 27 Cb -0.17 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.09 3kit s LYS 27 CO -0.31 0.59 0.56 0.41 -0.92 0.00 0.00 175.35 175.68 3kit n GLY 28 N 1.24 1.78 0.30 -3.33 0.00 -0.96 -0.83 105.19 103.39 3kit n GLY 28 Ca -0.10 -1.49 0.18 0.00 0.00 0.00 0.00 46.02 44.61 3kit n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kit h PRO 29 N 0.00 0.00 0.00 1.61 0.11 -1.77 -2.97 132.00 128.98 3kit h PRO 29 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kit h PRO 29 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kit h PRO 29 CO 0.37 0.04 -0.96 1.63 -0.21 0.00 0.00 178.00 178.87 3kit n LYS 30 N -3.33 0.29 -0.90 1.05 4.76 -0.78 -5.07 118.16 114.18 3kit n LYS 30 Ca -0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3kit n LYS 30 Cb 0.18 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 3kit n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kit n GLY 31 N 1.36 0.14 3.77 0.72 0.00 -1.12 -4.99 105.19 105.07 3kit n GLY 31 Ca 0.02 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 3kit n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kit s GLU 32 N -1.25 2.84 -0.02 1.61 2.12 -1.26 -2.27 118.70 120.46 3kit s GLU 32 Ca 0.00 -0.79 -0.00 0.00 0.36 0.00 0.00 54.97 54.54 3kit s GLU 32 Cb 0.00 -2.66 0.02 0.00 0.26 0.00 0.00 34.13 31.75 3kit s GLU 32 CO 0.00 0.53 0.03 -0.51 -0.54 0.00 0.00 175.26 174.76 3kit s LEU 33 N -2.68 1.28 -0.26 2.70 1.43 -0.75 -4.98 118.68 115.41 3kit s LEU 33 Ca 0.29 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.29 3kit s LEU 33 Cb -0.11 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 3kit s LEU 33 CO 0.22 -0.10 0.34 -1.61 0.23 0.00 0.00 176.35 175.43 3kit s GLU 34 N 0.83 4.04 -0.63 1.70 0.41 -1.26 -1.33 118.70 122.46 3kit s GLU 34 Ca -0.07 0.01 0.02 0.00 -0.41 0.00 0.00 54.97 54.52 3kit s GLU 34 Cb -0.10 -3.63 0.16 0.00 -1.78 0.00 0.00 34.13 28.78 3kit s GLU 34 CO -0.02 -0.20 0.42 0.08 -0.49 0.00 0.00 175.26 175.05 3kit s VAL 35 N 1.83 3.16 0.27 2.63 1.01 -1.08 -4.99 120.40 123.22 3kit s VAL 35 Ca 0.14 -3.51 -0.30 0.00 0.00 0.00 0.00 61.98 58.32 3kit s VAL 35 Cb -0.15 -3.09 -0.14 0.00 0.00 0.00 0.00 36.38 33.00 3kit s VAL 35 CO 0.09 -0.90 1.19 -0.81 0.00 0.00 0.00 175.10 174.67 3kit n PRO 36 N 2.86 1.64 -4.01 2.72 -0.04 -1.26 -3.59 135.00 133.32 3kit n PRO 36 Ca 0.11 0.58 -0.13 0.00 -0.04 0.00 0.00 63.50 64.02 3kit n PRO 36 Cb 0.35 -2.08 -0.13 0.00 -0.04 0.00 0.00 33.50 31.59 3kit n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kit s VAL 37 N -0.70 0.22 0.20 0.52 1.01 0.72 -4.96 120.40 117.42 3kit s VAL 37 Ca 0.62 -0.32 -0.32 0.00 0.00 0.00 0.00 61.98 61.96 3kit s VAL 37 Cb -0.69 -0.23 -0.13 0.00 0.00 0.00 0.00 36.38 35.34 3kit s VAL 37 CO 0.57 -0.07 1.57 -0.24 0.00 0.00 0.00 175.10 176.93 3kit n SER 38 N 2.65 3.30 0.00 3.32 2.88 -1.26 -4.48 113.62 120.03 3kit n SER 38 Ca -0.15 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 3kit n SER 38 Cb 0.58 -1.48 0.01 0.00 -0.75 0.00 0.00 64.21 62.58 3kit n SER 38 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kit n PRO 39 N 3.09 0.05 -1.54 -1.46 -0.02 -1.26 -3.69 135.00 130.17 3kit n PRO 39 Ca 0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.35 3kit n PRO 39 Cb 0.32 -1.15 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 3kit n PRO 39 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kit n GLU 40 N -0.65 2.72 -3.50 -0.52 -0.58 -1.26 -4.86 120.64 111.98 3kit n GLU 40 Ca 0.00 -2.43 -0.02 0.00 -0.42 0.00 0.00 57.16 54.29 3kit n GLU 40 Cb 0.00 -2.21 0.02 0.00 -0.57 0.00 0.00 31.44 28.67 3kit n GLU 40 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3kit n MET 41 N 1.12 0.50 -2.73 3.49 1.56 -1.24 -4.58 117.12 115.24 3kit n MET 41 Ca 0.51 -1.18 -0.08 0.00 -0.27 0.00 0.00 57.70 56.67 3kit n MET 41 Cb 0.53 1.62 0.08 0.00 2.15 0.00 0.00 33.22 37.60 3kit n MET 41 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 3kit n ARG 42 N -0.63 0.92 -3.55 2.12 0.63 -1.26 -5.12 116.66 109.77 3kit n ARG 42 Ca -0.01 -1.81 -0.40 0.00 -0.92 0.00 0.00 57.85 54.71 3kit n ARG 42 Cb 0.49 -1.05 -0.11 0.00 0.45 0.00 0.00 32.46 32.25 3kit n ARG 42 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3kit s VAL 43 N 0.33 5.23 0.26 5.15 -7.23 -1.26 -4.97 120.40 117.91 3kit s VAL 43 Ca 0.24 -0.19 0.11 0.00 -1.81 0.00 0.00 61.98 60.32 3kit s VAL 43 Cb 0.28 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.51 3kit s VAL 43 CO -0.09 0.02 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.84 3kit s VAL 44 N 1.72 2.33 -0.34 1.32 1.01 -1.26 -4.81 120.40 120.36 3kit s VAL 44 Ca 0.06 -2.34 -0.28 0.00 0.00 0.00 0.00 61.98 59.43 3kit s VAL 44 Cb -0.17 -2.23 -0.12 0.00 0.00 0.00 0.00 36.38 33.85 3kit s VAL 44 CO 0.10 -0.41 1.39 0.52 0.00 0.00 0.00 175.10 176.71 3kit n VAL 45 N -0.50 0.00 -3.75 2.92 0.31 -1.26 -4.87 118.33 111.18 3kit n VAL 45 Ca -0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.01 3kit n VAL 45 Cb 0.60 -0.32 -0.17 0.00 -0.91 0.00 0.00 33.84 33.04 3kit n VAL 45 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3kit s GLU 46 N 3.98 0.67 2.35 5.55 -1.05 -1.26 -5.12 118.70 123.81 3kit s GLU 46 Ca 0.78 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 3kit s GLU 46 Cb -0.95 -1.68 0.00 0.00 -0.44 0.00 0.00 34.13 31.06 3kit s GLU 46 CO 0.41 -0.50 0.00 0.39 0.95 0.00 0.00 175.26 176.51 3kit n GLU 47 N 5.08 0.00 -0.01 -4.83 1.02 -1.26 -3.62 120.64 117.02 3kit n GLU 47 Ca -0.08 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.19 3kit n GLU 47 Cb 0.48 0.00 0.52 0.00 -0.02 0.00 0.00 31.44 32.42 3kit n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kit n GLY 48 N 0.00 -0.01 0.00 0.62 0.00 -1.26 -4.87 105.19 99.68 3kit n GLY 48 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kit n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kit n VAL 49 N 0.14 0.00 -3.74 1.61 0.24 -1.24 -4.16 118.33 111.18 3kit n VAL 49 Ca 0.19 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.39 3kit n VAL 49 Cb 0.34 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 3kit n VAL 49 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kit s VAL 50 N 1.24 0.10 0.17 3.34 1.01 -0.99 -4.28 120.40 121.00 3kit s VAL 50 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 3kit s VAL 50 Cb 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 3kit s VAL 50 CO 0.00 -0.45 0.33 -0.13 0.00 0.00 0.00 175.10 174.84 3kit s ARG 51 N -3.54 1.21 -0.09 2.72 0.52 -1.26 -4.60 118.95 113.91 3kit s ARG 51 Ca 0.02 -1.14 -0.07 0.00 -0.52 0.00 0.00 55.73 54.02 3kit s ARG 51 Cb 0.02 0.40 0.03 0.00 0.52 0.00 0.00 34.95 35.93 3kit s ARG 51 CO -0.10 -0.46 0.24 0.08 0.02 0.00 0.00 175.30 175.08 3kit s VAL 52 N -3.96 -0.01 -0.03 3.52 1.01 -1.26 -4.80 120.40 114.87 3kit s VAL 52 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 3kit s VAL 52 Cb 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.09 3kit s VAL 52 CO 0.00 0.02 0.04 -1.61 0.00 0.00 0.00 175.10 173.55 3kit s GLU 53 N 0.42 -0.05 0.32 2.72 0.41 -1.26 -4.97 118.70 116.29 3kit s GLU 53 Ca -0.02 0.25 -0.15 0.00 -0.41 0.00 0.00 54.97 54.63 3kit s GLU 53 Cb -0.04 -0.34 -0.09 0.00 -1.78 0.00 0.00 34.13 31.89 3kit s GLU 53 CO -0.02 -0.22 0.75 -0.98 -0.49 0.00 0.00 175.26 174.30 3kit s ARG 54 N 1.43 4.02 0.00 1.61 1.04 -1.26 -4.54 118.95 121.25 3kit s ARG 54 Ca -0.04 0.70 0.00 0.00 -1.04 0.00 0.00 55.73 55.34 3kit s ARG 54 Cb -0.13 -2.43 0.00 0.00 -2.04 0.00 0.00 34.95 30.35 3kit s ARG 54 CO -0.03 0.16 0.59 -0.35 -0.04 0.00 0.00 175.30 175.62 3kit n PRO 55 N -0.34 0.00 -2.73 3.89 -0.04 -1.26 -4.93 135.00 129.58 3kit n PRO 55 Ca 0.03 0.50 -0.21 0.00 -0.04 0.00 0.00 63.50 63.78 3kit n PRO 55 Cb 0.53 -1.29 0.07 0.00 -0.04 0.00 0.00 33.50 32.77 3kit n PRO 55 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3kit s SER 56 N -2.41 4.92 -0.53 3.54 0.01 -1.26 -5.01 113.70 112.96 3kit s SER 56 Ca 0.00 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 56.92 3kit s SER 56 Cb 0.00 -0.29 0.45 0.00 0.21 0.00 0.00 66.02 66.39 3kit s SER 56 CO 0.00 -1.42 1.73 0.47 0.41 0.00 0.00 173.24 174.43 3kit n ASP 57 N -2.46 6.71 -4.93 2.44 8.00 -1.26 -4.63 116.55 120.42 3kit n ASP 57 Ca 0.12 -3.78 -0.26 0.00 0.71 0.00 0.00 54.79 51.59 3kit n ASP 57 Cb 0.60 -0.75 0.02 0.00 -0.02 0.00 0.00 41.12 40.97 3kit n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kit s GLU 58 N -3.75 3.12 0.00 -1.24 2.02 -1.26 -4.90 118.70 112.69 3kit s GLU 58 Ca 0.60 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.47 3kit s GLU 58 Cb 0.47 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 32.31 3kit s GLU 58 CO 0.00 -0.43 0.60 -2.13 0.02 0.00 0.00 175.26 173.32 3kit n ARG 59 N -2.33 0.00 -0.34 1.61 3.00 -1.26 -2.01 116.66 115.32 3kit n ARG 59 Ca 0.02 0.50 0.14 0.00 -0.00 0.00 0.00 57.85 58.51 3kit n ARG 59 Cb 0.57 -1.10 0.28 0.00 0.00 0.00 0.00 32.46 32.21 3kit n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kit h ARG 60 N 0.00 0.01 0.43 -0.14 3.08 -1.98 -1.05 114.38 114.72 3kit h ARG 60 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kit h ARG 60 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3kit h ARG 60 CO 0.00 0.01 -0.42 0.45 -1.07 0.00 0.00 179.97 178.93 3kit h HIS 61 N 0.01 -1.16 -0.45 3.04 3.86 -1.83 0.56 115.15 119.17 3kit h HIS 61 Ca 0.59 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.94 3kit h HIS 61 Cb 1.19 0.45 -0.02 0.00 1.06 0.00 0.00 27.41 30.09 3kit h HIS 61 CO -0.52 -0.58 0.36 0.87 0.86 0.00 0.00 177.93 178.92 3kit h LYS 62 N -0.87 0.00 0.03 2.45 1.57 -0.59 0.22 116.57 119.38 3kit h LYS 62 Ca -0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 3kit h LYS 62 Cb 0.77 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.09 3kit h LYS 62 CO -0.06 0.00 -1.06 0.77 -0.57 0.00 0.00 179.45 178.53 3kit h SER 63 N 0.00 0.74 1.00 0.86 0.02 -0.50 -3.22 113.55 112.46 3kit h SER 63 Ca 0.22 -0.62 -0.16 0.00 -0.84 0.00 0.00 61.79 60.39 3kit h SER 63 Cb 0.94 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 3kit h SER 63 CO -0.00 1.43 -0.74 -0.07 -1.14 0.00 0.00 176.83 176.30 3kit h LEU 64 N 0.30 0.00 -9.71 5.07 3.38 0.41 -3.23 115.31 111.53 3kit h LEU 64 Ca -0.12 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.33 3kit h LEU 64 Cb 1.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.48 3kit h LEU 64 CO 0.20 0.74 0.51 -2.28 0.09 0.00 0.00 178.44 177.70 3kit s HIS 65 N -3.06 3.52 0.00 1.13 2.46 0.64 -1.43 115.29 118.56 3kit s HIS 65 Ca 0.01 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.10 3kit s HIS 65 Cb 0.10 -3.34 0.00 0.00 -0.13 0.00 0.00 32.58 29.21 3kit s HIS 65 CO 0.78 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 172.63 3kit n GLY 66 N 1.83 2.44 0.28 1.59 0.00 -1.26 -4.61 105.19 105.46 3kit n GLY 66 Ca 0.02 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.56 3kit n GLY 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kit h LEU 67 N 0.00 0.42 0.00 0.99 5.85 -1.50 -1.50 115.31 119.57 3kit h LEU 67 Ca 0.00 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 3kit h LEU 67 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3kit h LEU 67 CO 0.00 0.42 -0.48 0.74 -0.34 0.00 0.00 178.44 178.78 3kit h THR 68 N 0.46 0.75 -0.44 1.05 2.02 -1.50 -2.36 112.91 112.88 3kit h THR 68 Ca 0.11 -1.70 0.08 0.00 0.77 0.00 0.00 66.41 65.67 3kit h THR 68 Cb 0.17 1.55 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 3kit h THR 68 CO -0.00 0.25 -0.12 -1.14 0.37 0.00 0.00 175.52 174.88 3kit n ARG 69 N -4.60 -0.05 0.01 6.66 0.63 -1.15 -0.26 116.66 117.90 3kit n ARG 69 Ca -0.14 0.69 -0.01 0.00 -0.92 0.00 0.00 57.85 57.47 3kit n ARG 69 Cb 0.39 -1.03 -0.01 0.00 0.45 0.00 0.00 32.46 32.26 3kit n ARG 69 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3kit h THR 70 N 0.00 0.00 -1.38 5.15 2.02 -1.41 -2.98 112.91 114.31 3kit h THR 70 Ca 0.20 -0.61 0.42 0.00 0.77 0.00 0.00 66.41 67.20 3kit h THR 70 Cb 0.31 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.64 3kit h THR 70 CO -0.45 0.00 0.96 0.18 0.37 0.00 0.00 175.52 176.58 3kit n LEU 71 N -3.93 0.06 0.05 2.58 4.77 0.38 0.62 117.00 121.53 3kit n LEU 71 Ca -0.01 0.90 -0.03 0.00 -0.03 0.00 0.00 56.01 56.84 3kit n LEU 71 Cb 0.04 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 3kit n LEU 71 CO 0.03 -0.94 0.10 0.40 -1.33 0.00 0.00 177.39 175.65 3kit h ILE 72 N 0.00 0.00 -1.27 -0.08 1.08 -0.72 -3.14 117.51 113.38 3kit h ILE 72 Ca 0.72 -0.70 0.40 0.00 -0.39 0.00 0.00 64.86 64.89 3kit h ILE 72 Cb 2.70 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 36.33 3kit h ILE 72 CO -0.14 0.00 0.82 0.00 -0.69 0.00 0.00 178.15 178.14 3kit h ALA 73 N -1.20 2.66 -0.33 1.87 0.00 0.35 1.00 119.26 123.61 3kit h ALA 73 Ca -0.02 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3kit h ALA 73 Cb 0.16 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kit h ALA 73 CO 0.04 -1.23 -0.38 -0.91 0.00 0.00 0.00 179.25 176.76 3kit h ASN 74 N 0.15 0.83 -0.19 0.00 2.35 -1.26 0.13 115.58 117.58 3kit h ASN 74 Ca 0.77 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 56.10 3kit h ASN 74 Cb 2.36 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 40.48 3kit h ASN 74 CO -0.37 1.11 -0.01 0.00 -1.65 0.00 0.00 177.43 176.51 3kit h ALA 75 N 0.93 1.41 -0.74 -0.83 0.00 0.10 0.36 119.26 120.49 3kit h ALA 75 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kit h ALA 75 Cb 0.94 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kit h ALA 75 CO 0.09 0.42 0.00 0.28 0.00 0.00 0.00 179.25 180.03 3kit n VAL 76 N -4.29 0.00 0.18 0.00 0.31 -0.52 -2.62 118.33 111.40 3kit n VAL 76 Ca 0.01 0.99 0.17 0.00 -0.01 0.00 0.00 64.34 65.50 3kit n VAL 76 Cb 0.24 -1.90 0.63 0.00 -0.91 0.00 0.00 33.84 31.90 3kit n VAL 76 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kit h LYS 77 N 0.00 0.00 -0.02 5.55 1.57 -0.72 -0.09 116.57 122.86 3kit h LYS 77 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3kit h LYS 77 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kit h LYS 77 CO 0.00 0.00 -0.83 0.78 -0.57 0.00 0.00 179.45 178.83 3kit h GLY 78 N 0.00 0.31 -0.29 3.86 0.00 -0.23 -3.20 103.07 103.52 3kit h GLY 78 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kit h GLY 78 CO -0.00 0.44 -0.01 3.33 0.00 0.00 0.00 176.54 180.31 3kit n VAL 79 N -3.73 0.00 -3.42 4.60 0.24 -0.05 -3.87 118.33 112.09 3kit n VAL 79 Ca -0.04 -0.22 -0.26 0.00 -2.04 0.00 0.00 64.34 61.78 3kit n VAL 79 Cb 0.77 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.44 3kit n VAL 79 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3kit n SER 80 N 0.03 1.05 -2.62 -1.34 3.41 -1.18 -1.86 113.62 111.11 3kit n SER 80 Ca 0.19 -2.80 -0.05 0.00 -0.26 0.00 0.00 58.87 55.95 3kit n SER 80 Cb 0.33 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 3kit n SER 80 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kit n GLU 81 N 1.88 -4.49 0.00 4.33 1.02 -1.25 -4.84 120.64 117.28 3kit n GLU 81 Ca 0.25 3.40 0.00 0.00 -0.02 0.00 0.00 57.16 60.79 3kit n GLU 81 Cb 0.46 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 3kit n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kit n GLY 82 N 1.55 -1.16 0.00 0.62 0.00 -1.21 -4.66 105.19 100.33 3kit n GLY 82 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3kit n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kit n TYR 83 N 0.00 0.00 -2.34 1.61 0.53 -0.91 -4.78 117.16 111.28 3kit n TYR 83 Ca 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 57.90 56.89 3kit n TYR 83 Cb 0.47 0.00 -0.00 0.00 -1.03 0.00 0.00 39.34 38.78 3kit n TYR 83 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3kit n SER 84 N 0.00 -0.95 -1.62 7.72 2.88 -1.25 -4.60 113.62 115.80 3kit n SER 84 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3kit n SER 84 Cb 0.00 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 3kit n SER 84 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3kit n LYS 85 N -0.80 -3.09 -4.04 -1.46 0.00 -1.26 -4.15 118.16 103.35 3kit n LYS 85 Ca 0.00 2.43 -0.09 0.00 0.00 0.00 0.00 58.31 60.65 3kit n LYS 85 Cb 0.04 -2.74 -0.11 0.00 0.00 0.00 0.00 35.03 32.23 3kit n LYS 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3kit s GLU 86 N -1.39 0.49 0.07 1.64 1.03 -1.26 -0.90 118.70 118.38 3kit s GLU 86 Ca 0.00 -0.91 0.09 0.00 0.03 0.00 0.00 54.97 54.18 3kit s GLU 86 Cb 0.00 0.08 -0.03 0.00 -0.80 0.00 0.00 34.13 33.38 3kit s GLU 86 CO 0.00 -0.06 -0.25 -0.51 -1.33 0.00 0.00 175.26 173.11 3kit s LEU 87 N -2.14 2.22 -0.33 1.83 1.43 0.80 -4.46 118.68 118.04 3kit s LEU 87 Ca -0.05 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 3kit s LEU 87 Cb -0.02 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 45.09 3kit s LEU 87 CO -0.04 0.20 0.06 -0.76 0.23 0.00 0.00 176.35 176.04 3kit s LEU 88 N -1.51 4.31 0.34 1.79 2.01 -0.06 -0.72 118.68 124.83 3kit s LEU 88 Ca 0.11 -1.50 -0.26 0.00 0.01 0.00 0.00 54.13 52.49 3kit s LEU 88 Cb -0.10 -1.75 -0.10 0.00 0.01 0.00 0.00 46.19 44.26 3kit s LEU 88 CO 0.03 -0.34 0.98 0.27 1.01 0.00 0.00 176.35 178.30 3kit s ILE 89 N 1.21 4.04 0.03 -0.59 -5.25 -0.65 -1.50 121.20 118.49 3kit s ILE 89 Ca -0.01 1.69 0.04 0.00 -0.99 0.00 0.00 60.65 61.39 3kit s ILE 89 Cb -0.20 -3.94 -0.02 0.00 2.95 0.00 0.00 42.46 41.25 3kit s ILE 89 CO -0.02 0.14 -0.12 -0.54 -1.79 0.00 0.00 174.94 172.60 3kit s LYS 90 N -2.09 0.87 0.00 0.37 -0.14 -0.51 -4.84 119.74 113.40 3kit s LYS 90 Ca 0.51 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 54.47 3kit s LYS 90 Cb -0.21 -0.85 0.00 0.00 -1.68 0.00 0.00 37.83 35.09 3kit s LYS 90 CO 0.26 0.21 0.00 0.41 -0.76 0.00 0.00 175.35 175.48 3kit n GLY 91 N 2.12 4.18 0.00 -3.33 0.00 -1.26 -2.12 105.19 104.78 3kit n GLY 91 Ca -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3kit n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kit n ILE 92 N -0.06 0.00 1.65 -0.61 5.41 -1.26 -0.25 119.36 124.24 3kit n ILE 92 Ca 0.00 0.56 0.15 0.00 1.00 0.00 0.00 62.75 64.46 3kit n ILE 92 Cb 0.00 -0.78 0.70 0.00 -0.71 0.00 0.00 39.64 38.85 3kit n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kit n GLY 93 N -0.89 -0.64 3.71 7.39 0.00 -1.26 -4.89 105.19 108.62 3kit n GLY 93 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3kit n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kit s TYR 94 N -2.14 3.63 -0.06 1.61 1.51 0.65 -4.86 117.35 117.70 3kit s TYR 94 Ca 0.39 1.65 -0.31 0.00 -1.01 0.00 0.00 57.07 57.79 3kit s TYR 94 Cb 0.21 -3.16 0.08 0.00 -0.11 0.00 0.00 41.96 38.98 3kit s TYR 94 CO 0.39 -0.18 0.73 -0.98 -1.11 0.00 0.00 175.55 174.40 3kit s ARG 95 N 0.99 0.99 0.04 -0.62 1.70 -1.07 -4.62 118.95 116.36 3kit s ARG 95 Ca 0.53 0.22 0.04 0.00 -0.47 0.00 0.00 55.73 56.05 3kit s ARG 95 Cb -0.22 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 3kit s ARG 95 CO 0.28 -0.31 -0.03 0.00 -1.08 0.00 0.00 175.30 174.15 3kit s ALA 96 N -1.24 3.16 0.28 7.88 0.00 0.53 -1.72 121.76 130.64 3kit s ALA 96 Ca -0.09 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.84 3kit s ALA 96 Cb -0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 3kit s ALA 96 CO 0.08 0.65 0.17 0.50 0.00 0.00 0.00 175.76 177.16 3kit s ARG 97 N -1.79 1.51 0.18 0.00 3.52 -0.66 -4.70 118.95 117.01 3kit s ARG 97 Ca 0.21 -1.85 0.10 0.00 -0.13 0.00 0.00 55.73 54.06 3kit s ARG 97 Cb -0.11 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.32 3kit s ARG 97 CO 0.12 -0.47 -0.22 -1.17 -0.81 0.00 0.00 175.30 172.75 3kit s LEU 98 N -3.31 2.43 -0.46 -0.88 2.96 -1.26 -1.29 118.68 116.87 3kit s LEU 98 Ca 0.38 -0.86 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 3kit s LEU 98 Cb 0.05 -1.04 0.18 0.00 0.50 0.00 0.00 46.19 45.88 3kit s LEU 98 CO 0.18 0.07 0.54 -0.69 -1.32 0.00 0.00 176.35 175.12 3kit s VAL 99 N -1.79 -0.41 0.00 1.68 1.01 -0.55 -4.78 120.40 115.56 3kit s VAL 99 Ca 0.19 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.56 3kit s VAL 99 Cb -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3kit s VAL 99 CO 0.09 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.25 3kit n GLY 100 N 3.09 0.03 0.08 4.51 0.00 -1.26 -2.89 105.19 108.75 3kit n GLY 100 Ca 0.22 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.22 3kit n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit n ARG 101 N 4.95 0.16 -1.69 1.61 1.74 -1.26 -4.83 116.66 117.34 3kit n ARG 101 Ca 0.00 0.25 -0.30 0.00 -0.77 0.00 0.00 57.85 57.02 3kit n ARG 101 Cb 0.00 -1.73 0.05 0.00 -1.02 0.00 0.00 32.46 29.76 3kit n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kit s ALA 102 N -3.14 2.68 -0.17 7.54 0.00 -1.14 -4.46 121.76 123.07 3kit s ALA 102 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3kit s ALA 102 Cb 0.12 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.16 3kit s ALA 102 CO 0.48 -1.26 -0.18 -1.17 0.00 0.00 0.00 175.76 173.63 3kit s LEU 103 N -5.51 1.98 -0.51 0.00 2.96 -1.20 -1.48 118.68 114.92 3kit s LEU 103 Ca 0.58 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3kit s LEU 103 Cb -0.13 -1.38 0.13 0.00 0.50 0.00 0.00 46.19 45.32 3kit s LEU 103 CO 0.54 -0.02 0.31 -0.70 -1.32 0.00 0.00 176.35 175.16 3kit s GLU 104 N 1.36 2.24 0.04 1.98 2.12 -0.41 0.33 118.70 126.35 3kit s GLU 104 Ca 0.05 -2.21 0.01 0.00 0.36 0.00 0.00 54.97 53.18 3kit s GLU 104 Cb -0.13 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3kit s GLU 104 CO -0.12 -1.12 0.11 -0.48 -0.54 0.00 0.00 175.26 173.11 3kit s LEU 105 N 0.47 3.97 -0.21 2.70 2.34 -0.77 -1.66 118.68 125.51 3kit s LEU 105 Ca 0.13 0.11 0.01 0.00 0.06 0.00 0.00 54.13 54.45 3kit s LEU 105 Cb -0.22 -2.51 0.03 0.00 -0.56 0.00 0.00 46.19 42.94 3kit s LEU 105 CO -0.04 0.21 -0.15 0.42 -1.06 0.00 0.00 176.35 175.73 3kit s THR 106 N -1.34 2.24 -0.43 5.48 -4.23 -0.70 -1.34 115.64 115.31 3kit s THR 106 Ca 0.28 -1.16 0.09 0.00 -1.18 0.00 0.00 61.69 59.72 3kit s THR 106 Cb -0.12 -2.09 0.41 0.00 1.34 0.00 0.00 72.50 72.04 3kit s THR 106 CO 0.20 0.32 1.01 1.33 -0.54 0.00 0.00 174.62 176.93 3kit n VAL 107 N 4.57 1.92 0.00 2.29 0.24 -1.26 -2.60 118.33 123.49 3kit n VAL 107 Ca -0.18 -4.55 0.00 0.00 -2.04 0.00 0.00 64.34 57.56 3kit n VAL 107 Cb 0.47 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 3kit n VAL 107 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kit n GLY 108 N -0.26 2.96 3.77 7.63 0.00 -1.26 -4.98 105.19 113.04 3kit n GLY 108 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 3kit n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kit s PHE 109 N -2.09 2.66 -1.44 1.61 0.08 -1.26 -4.79 117.98 112.76 3kit s PHE 109 Ca 0.00 1.37 0.00 0.00 0.12 0.00 0.00 56.93 58.42 3kit s PHE 109 Cb 0.00 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 3kit s PHE 109 CO 0.00 -2.39 0.00 -1.13 -0.10 0.00 0.00 175.22 171.60 3kit n SER 110 N -0.13 0.00 -3.61 1.36 3.41 -1.26 -4.44 113.62 108.94 3kit n SER 110 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.56 3kit n SER 110 Cb 0.43 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 3kit n SER 110 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kit s HIS 111 N -1.44 -0.43 1.06 7.33 5.65 -1.26 -5.18 115.29 121.02 3kit s HIS 111 Ca 0.00 0.92 -0.13 0.00 0.25 0.00 0.00 55.06 56.10 3kit s HIS 111 Cb 0.00 0.40 0.22 0.00 -1.18 0.00 0.00 32.58 32.03 3kit s HIS 111 CO 0.00 -0.28 1.07 -1.25 -0.65 0.00 0.00 174.74 173.63 3kit s PRO 112 N -0.39 -0.05 -0.13 2.88 0.04 -1.26 -4.84 135.00 131.25 3kit s PRO 112 Ca 0.01 0.61 -0.00 0.00 0.04 0.00 0.00 61.00 61.65 3kit s PRO 112 Cb -0.03 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.86 3kit s PRO 112 CO -0.03 -3.08 -0.09 0.08 0.04 0.00 0.00 177.00 173.92 3kit s VAL 113 N -2.81 1.21 -0.17 -0.36 1.01 -0.45 -5.02 120.40 113.82 3kit s VAL 113 Ca 0.66 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 3kit s VAL 113 Cb -0.21 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3kit s VAL 113 CO 0.60 0.36 0.23 0.68 0.00 0.00 0.00 175.10 176.97 3kit s VAL 114 N 1.63 5.34 -0.66 2.92 -7.23 -1.26 -1.85 120.40 119.30 3kit s VAL 114 Ca 0.04 0.42 0.05 0.00 -1.81 0.00 0.00 61.98 60.68 3kit s VAL 114 Cb -0.13 -3.57 0.19 0.00 0.56 0.00 0.00 36.38 33.43 3kit s VAL 114 CO -0.09 0.42 0.55 0.52 -0.31 0.00 0.00 175.10 176.19 3kit n VAL 115 N 3.42 1.49 -1.68 1.32 0.31 0.15 -4.96 118.33 118.38 3kit n VAL 115 Ca -0.14 -4.80 -0.47 0.00 -0.01 0.00 0.00 64.34 58.92 3kit n VAL 115 Cb 0.52 -2.11 -0.04 0.00 -0.91 0.00 0.00 33.84 31.29 3kit n VAL 115 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kit n GLU 116 N 1.74 2.22 -2.22 5.55 0.00 -1.26 -3.27 120.64 123.41 3kit n GLU 116 Ca 0.23 0.81 -0.37 0.00 0.00 0.00 0.00 57.16 57.83 3kit n GLU 116 Cb 0.38 -2.63 -0.01 0.00 0.00 0.00 0.00 31.44 29.18 3kit n GLU 116 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3kit s PRO 117 N 2.85 3.76 0.64 5.31 0.04 -1.26 -4.99 135.00 141.35 3kit s PRO 117 Ca 0.87 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.64 3kit s PRO 117 Cb -0.67 -2.45 0.15 0.00 0.04 0.00 0.00 34.50 31.57 3kit s PRO 117 CO 0.45 -0.56 0.81 -0.35 0.04 0.00 0.00 177.00 177.39 3kit n PRO 118 N -0.42 -1.06 -1.70 0.56 -0.04 -1.26 -4.96 135.00 126.12 3kit n PRO 118 Ca 0.07 -1.26 -0.43 0.00 -0.04 0.00 0.00 63.50 61.83 3kit n PRO 118 Cb 0.47 -0.89 -0.03 0.00 -0.04 0.00 0.00 33.50 33.01 3kit n PRO 118 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kit n GLU 119 N -2.90 2.55 -3.19 0.54 4.07 -1.26 -3.21 120.64 117.24 3kit n GLU 119 Ca 0.10 0.92 -0.18 0.00 -0.06 0.00 0.00 57.16 57.94 3kit n GLU 119 Cb 0.36 -2.73 0.05 0.00 -0.06 0.00 0.00 31.44 29.07 3kit n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kit n GLY 120 N 3.52 -0.22 2.89 8.31 0.00 -1.26 -5.03 105.19 113.40 3kit n GLY 120 Ca 0.15 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3kit n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kit s ILE 121 N -3.18 -0.00 0.06 -0.61 1.01 -1.20 -3.96 121.20 113.33 3kit s ILE 121 Ca 0.39 0.00 0.07 0.00 0.00 0.00 0.00 60.65 61.11 3kit s ILE 121 Cb -0.17 -0.04 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 3kit s ILE 121 CO 0.48 0.00 -0.19 -0.89 0.00 0.00 0.00 174.94 174.33 3kit s THR 122 N 0.02 1.57 -0.12 2.92 2.01 0.11 -4.75 115.64 117.39 3kit s THR 122 Ca -0.00 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.72 3kit s THR 122 Cb -0.00 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3kit s THR 122 CO 0.00 0.09 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.63 3kit s PHE 123 N -0.91 3.04 -0.10 4.92 2.99 -1.26 -0.31 117.98 126.35 3kit s PHE 123 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 56.93 56.85 3kit s PHE 123 Cb -0.09 -1.88 -0.03 0.00 0.00 0.00 0.00 43.02 41.02 3kit s PHE 123 CO 0.02 0.14 -0.03 -1.21 -0.00 0.00 0.00 175.22 174.15 3kit s GLU 124 N -0.13 3.09 -0.40 0.44 0.41 -0.55 -4.98 118.70 116.58 3kit s GLU 124 Ca 0.03 -0.47 0.12 0.00 -0.41 0.00 0.00 54.97 54.23 3kit s GLU 124 Cb -0.13 -2.77 0.39 0.00 -1.78 0.00 0.00 34.13 29.84 3kit s GLU 124 CO 0.02 0.58 0.87 0.28 -0.49 0.00 0.00 175.26 176.52 3kit n VAL 125 N 2.51 1.02 0.00 2.63 0.31 -1.26 -2.72 118.33 120.82 3kit n VAL 125 Ca -0.18 -4.39 0.00 0.00 -0.01 0.00 0.00 64.34 59.76 3kit n VAL 125 Cb 0.53 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3kit n VAL 125 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3kit n PRO 126 N 0.01 0.00 -2.10 5.55 -0.04 -1.26 -4.70 135.00 132.46 3kit n PRO 126 Ca 0.23 0.53 -0.28 0.00 -0.04 0.00 0.00 63.50 63.94 3kit n PRO 126 Cb 0.65 -1.32 0.15 0.00 -0.04 0.00 0.00 33.50 32.95 3kit n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kit s GLU 127 N -2.28 1.08 0.00 0.54 0.41 -1.26 -4.97 118.70 112.22 3kit s GLU 127 Ca 0.00 -0.52 0.26 0.00 -0.41 0.00 0.00 54.97 54.30 3kit s GLU 127 Cb 0.00 -1.99 0.75 0.00 -1.78 0.00 0.00 34.13 31.11 3kit s GLU 127 CO 0.00 -2.05 1.58 -0.35 -0.49 0.00 0.00 175.26 173.95 3kit n PRO 128 N -3.46 0.09 -0.09 0.39 -0.04 -1.26 -3.74 135.00 126.89 3kit n PRO 128 Ca 0.14 -0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 3kit n PRO 128 Cb 0.60 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.69 3kit n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kit n THR 129 N -1.42 1.78 -4.70 0.52 -2.24 -1.26 -0.35 114.28 106.62 3kit n THR 129 Ca 0.07 -2.14 -0.23 0.00 -2.27 0.00 0.00 64.05 59.48 3kit n THR 129 Cb 0.33 -0.19 -0.15 0.00 -2.10 0.00 0.00 70.33 68.22 3kit n THR 129 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kit s ARG 130 N -2.70 1.31 -0.10 -0.78 0.52 -1.25 -1.63 118.95 114.31 3kit s ARG 130 Ca 0.30 -0.53 -0.09 0.00 -0.52 0.00 0.00 55.73 54.89 3kit s ARG 130 Cb 0.26 -1.23 0.03 0.00 0.52 0.00 0.00 34.95 34.53 3kit s ARG 130 CO 0.03 0.28 0.26 0.08 0.02 0.00 0.00 175.30 175.97 3kit s VAL 131 N -0.21 -0.00 0.03 3.52 1.01 0.10 -4.08 120.40 120.76 3kit s VAL 131 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3kit s VAL 131 Cb -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 3kit s VAL 131 CO 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 175.10 175.06 3kit s ARG 132 N 0.24 0.40 -0.19 2.72 1.70 -1.10 0.28 118.95 123.00 3kit s ARG 132 Ca -0.01 -0.65 -0.06 0.00 -0.47 0.00 0.00 55.73 54.54 3kit s ARG 132 Cb -0.03 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 3kit s ARG 132 CO -0.01 -0.00 0.03 0.08 -1.08 0.00 0.00 175.30 174.32 3kit s VAL 133 N -1.37 4.38 -0.22 4.99 1.01 -0.08 -1.49 120.40 127.62 3kit s VAL 133 Ca -0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3kit s VAL 133 Cb -0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3kit s VAL 133 CO -0.00 0.45 0.09 -0.44 0.00 0.00 0.00 175.10 175.19 3kit s SER 134 N 0.60 5.56 0.02 3.32 0.01 0.58 -3.80 113.70 119.99 3kit s SER 134 Ca 0.01 -0.02 -0.21 0.00 1.31 0.00 0.00 55.95 57.05 3kit s SER 134 Cb -0.14 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.16 3kit s SER 134 CO 0.02 0.07 0.46 -0.83 0.41 0.00 0.00 173.24 173.38 3kit s GLY 135 N 0.97 -0.34 0.19 3.44 0.00 -1.26 -0.71 107.32 109.62 3kit s GLY 135 Ca 0.05 0.53 0.24 0.00 0.00 0.00 0.00 44.72 45.53 3kit s GLY 135 CO 0.03 0.26 1.29 -2.22 0.00 0.00 0.00 173.10 172.46 3kit h ILE 136 N 3.08 0.00 0.00 0.90 5.03 -1.83 -2.41 117.51 122.28 3kit h ILE 136 Ca -0.30 -0.73 0.00 0.00 -0.12 0.00 0.00 64.86 63.71 3kit h ILE 136 Cb 1.19 1.36 0.00 0.00 -3.03 0.00 0.00 36.82 36.34 3kit h ILE 136 CO 0.42 0.00 0.00 -0.67 -0.68 0.00 0.00 178.15 177.22 3kit n ASP 137 N -2.44 0.00 0.00 1.72 -0.08 -1.26 -4.48 116.55 110.01 3kit n ASP 137 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 3kit n ASP 137 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 3kit n ASP 137 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3kit n LYS 138 N 0.00 0.00 -0.15 -0.67 4.81 -1.26 -4.83 118.16 116.06 3kit n LYS 138 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 3kit n LYS 138 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 3kit n LYS 138 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3kit h GLN 139 N 0.00 0.42 0.00 1.64 5.75 -2.00 0.27 115.11 121.19 3kit h GLN 139 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3kit h GLN 139 Cb 0.00 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.45 3kit h GLN 139 CO 0.00 0.28 0.00 1.63 -2.65 0.00 0.00 178.83 178.09 3kit n LYS 140 N -4.93 0.02 -0.04 1.69 5.02 -1.26 -2.94 118.16 115.72 3kit n LYS 140 Ca 0.04 0.14 -0.02 0.00 -2.02 0.00 0.00 58.31 56.45 3kit n LYS 140 Cb 0.14 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3kit n LYS 140 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kit h VAL 141 N 0.00 0.00 -1.15 -0.18 2.07 -0.99 -3.21 116.25 112.79 3kit h VAL 141 Ca 0.00 -0.64 0.35 0.00 0.82 0.00 0.00 66.70 67.24 3kit h VAL 141 Cb 0.34 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.99 3kit h VAL 141 CO 0.00 0.00 0.72 1.23 0.02 0.00 0.00 177.57 179.54 3kit h GLY 142 N -0.64 1.48 0.50 2.17 0.00 -0.72 0.55 103.07 106.41 3kit h GLY 142 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3kit h GLY 142 CO 0.00 -0.35 -0.24 1.46 0.00 0.00 0.00 176.54 177.41 3kit h GLN 143 N 0.24 -0.65 -0.10 4.80 1.08 -1.70 -1.82 115.11 116.96 3kit h GLN 143 Ca 0.73 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.97 3kit h GLN 143 Cb 2.01 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 29.58 3kit h GLN 143 CO -0.43 -0.43 0.03 0.28 -0.95 0.00 0.00 178.83 177.33 3kit h VAL 144 N -0.82 1.04 0.38 -0.54 2.07 -1.26 0.86 116.25 117.98 3kit h VAL 144 Ca -0.07 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3kit h VAL 144 Cb 0.52 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3kit h VAL 144 CO 0.11 0.05 -0.32 0.00 0.02 0.00 0.00 177.57 177.44 3kit h ALA 145 N 1.91 -1.05 -0.63 1.67 0.00 0.10 -0.74 119.26 120.51 3kit h ALA 145 Ca 0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3kit h ALA 145 Cb 0.04 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3kit h ALA 145 CO -0.00 -1.05 0.16 0.00 0.00 0.00 0.00 179.25 178.36 3kit h ALA 146 N -1.30 1.10 -0.81 0.00 0.00 -0.94 -2.15 119.26 115.16 3kit h ALA 146 Ca -0.05 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.81 3kit h ALA 146 Cb 0.57 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3kit h ALA 146 CO -0.00 0.60 0.54 -0.91 0.00 0.00 0.00 179.25 179.48 3kit h ASN 147 N 0.94 0.39 -0.00 0.00 -0.26 0.92 -0.13 115.58 117.44 3kit h ASN 147 Ca 0.20 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.97 3kit h ASN 147 Cb 0.32 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3kit h ASN 147 CO -0.00 0.19 -0.02 0.40 -1.06 0.00 0.00 177.43 176.93 3kit h ILE 148 N 0.41 1.62 -0.37 2.81 1.08 -0.51 -3.24 117.51 119.31 3kit h ILE 148 Ca 0.41 -1.86 0.11 0.00 -0.39 0.00 0.00 64.86 63.13 3kit h ILE 148 Cb 0.97 2.88 -0.01 0.00 -3.07 0.00 0.00 36.82 37.59 3kit h ILE 148 CO -0.14 0.48 0.45 -0.09 -0.69 0.00 0.00 178.15 178.16 3kit h ARG 149 N -0.76 0.00 -0.09 2.37 2.43 -0.68 -0.48 114.38 117.17 3kit h ARG 149 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 3kit h ARG 149 Cb 0.81 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3kit h ARG 149 CO 0.00 0.00 -0.50 0.00 -1.51 0.00 0.00 179.97 177.96 3kit h ALA 150 N 1.46 1.00 -1.12 2.80 0.00 -1.11 -2.69 119.26 119.60 3kit h ALA 150 Ca 0.18 -0.47 0.31 0.00 0.00 0.00 0.00 54.91 54.93 3kit h ALA 150 Cb 1.07 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3kit h ALA 150 CO -0.00 0.65 0.76 0.82 0.00 0.00 0.00 179.25 181.48 3kit h ILE 151 N 0.18 0.44 -0.78 0.00 1.08 -1.20 -3.32 117.51 113.91 3kit h ILE 151 Ca 0.01 -0.07 -0.12 0.00 -0.39 0.00 0.00 64.86 64.28 3kit h ILE 151 Cb 0.95 0.21 -0.16 0.00 -3.07 0.00 0.00 36.82 34.75 3kit h ILE 151 CO 0.08 0.04 -0.41 -1.14 -0.69 0.00 0.00 178.15 176.02 3kit n ARG 152 N -4.46 0.46 -0.62 2.37 3.00 -1.17 -5.04 116.66 111.21 3kit n ARG 152 Ca 0.26 -1.76 -0.31 0.00 -0.00 0.00 0.00 57.85 56.04 3kit n ARG 152 Cb 1.07 -1.14 0.20 0.00 0.00 0.00 0.00 32.46 32.58 3kit n ARG 152 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3kit n LYS 153 N 2.79 -1.60 0.00 -0.14 0.00 -1.02 -1.56 118.16 116.63 3kit n LYS 153 Ca 0.16 -0.44 0.00 0.00 -0.00 0.00 0.00 58.31 58.03 3kit n LYS 153 Cb 0.58 -1.96 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 3kit n LYS 153 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kit n PRO 154 N -3.27 0.00 0.00 -1.58 -0.04 -1.26 -4.44 135.00 124.41 3kit n PRO 154 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3kit n PRO 154 Cb 0.57 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 3kit n PRO 154 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3kit n SER 155 N -0.03 0.00 -1.20 3.54 7.64 -1.26 -4.77 113.62 117.54 3kit n SER 155 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 3kit n SER 155 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 3kit n SER 155 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kit n ALA 156 N 0.00 0.18 -1.28 -0.43 0.00 -1.26 -2.63 120.51 115.09 3kit n ALA 156 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3kit n ALA 156 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3kit n ALA 156 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kit n TYR 157 N 1.38 0.00 -1.49 0.00 9.36 -1.26 -4.27 117.16 120.87 3kit n TYR 157 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 3kit n TYR 157 Cb 0.13 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.84 3kit n TYR 157 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3kit n HIS 158 N -0.29 -4.09 0.00 2.98 8.25 -1.08 -5.04 115.22 115.95 3kit n HIS 158 Ca 0.00 2.21 0.00 0.00 -0.26 0.00 0.00 57.72 59.67 3kit n HIS 158 Cb 0.00 -3.45 0.00 0.00 1.12 0.00 0.00 29.99 27.66 3kit n HIS 158 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3kit n GLU 159 N -2.46 0.00 -0.65 -0.41 4.07 -1.26 -5.05 120.64 114.88 3kit n GLU 159 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 3kit n GLU 159 Cb 0.43 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.81 3kit n GLU 159 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3kit n LYS 160 N 0.00 0.00 0.00 5.31 5.02 -1.26 -4.72 118.16 122.51 3kit n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kit n LYS 160 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 3kit n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kit n GLY 161 N 1.17 3.50 3.48 0.72 0.00 -0.90 -4.35 105.19 108.81 3kit n GLY 161 Ca 0.06 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 3kit n GLY 161 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kit s ILE 162 N -2.32 5.13 0.50 -0.61 -4.36 -0.60 -1.43 121.20 117.51 3kit s ILE 162 Ca 0.00 -0.38 0.01 0.00 -0.26 0.00 0.00 60.65 60.03 3kit s ILE 162 Cb 0.00 -4.00 0.02 0.00 1.25 0.00 0.00 42.46 39.73 3kit s ILE 162 CO 0.00 -0.37 0.72 -0.31 0.24 0.00 0.00 174.94 175.22 3kit s TYR 163 N 2.03 3.01 0.00 1.37 1.51 -0.56 -4.72 117.35 119.99 3kit s TYR 163 Ca 0.11 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 3kit s TYR 163 Cb -0.17 -2.55 0.00 0.00 -0.11 0.00 0.00 41.96 39.13 3kit s TYR 163 CO 0.13 -0.63 0.00 0.66 -1.11 0.00 0.00 175.55 174.59 3kit n TYR 164 N -2.21 0.00 -0.18 2.71 0.53 -1.26 -0.89 117.16 115.87 3kit n TYR 164 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.93 3kit n TYR 164 Cb 0.59 -0.09 0.00 0.00 -1.03 0.00 0.00 39.34 38.81 3kit n TYR 164 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kit n ALA 165 N -1.14 0.02 -2.06 -0.72 0.00 -1.26 -3.98 120.51 111.38 3kit n ALA 165 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3kit n ALA 165 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3kit n ALA 165 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kit s GLY 166 N 0.00 1.66 0.12 0.00 0.00 -1.26 -5.09 107.32 102.75 3kit s GLY 166 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 43.89 3kit s GLY 166 CO 0.00 -0.62 -0.15 -0.54 0.00 0.00 0.00 173.10 171.79 3kit s GLU 167 N -4.96 1.91 0.34 2.90 2.02 -1.26 -5.06 118.70 114.59 3kit s GLU 167 Ca 0.55 -1.16 -0.27 0.00 0.02 0.00 0.00 54.97 54.12 3kit s GLU 167 Cb -0.10 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 3kit s GLU 167 CO 0.43 0.48 1.10 -1.25 0.02 0.00 0.00 175.26 176.03 3kit s PRO 168 N -2.27 4.37 0.02 0.39 0.04 -1.26 -5.10 135.00 131.19 3kit s PRO 168 Ca 0.20 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.99 3kit s PRO 168 Cb -0.10 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 3kit s PRO 168 CO 0.12 -0.01 -0.06 0.54 0.04 0.00 0.00 177.00 177.63 3kit s VAL 169 N -1.37 3.69 -1.22 -0.36 0.11 -1.26 -5.16 120.40 114.82 3kit s VAL 169 Ca 0.51 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 3kit s VAL 169 Cb -0.28 -2.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 3kit s VAL 169 CO 0.36 0.35 0.30 -2.11 -3.33 0.00 0.00 175.10 170.68