#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n PRO 8 N 0.00 0.00 -2.41 3.23 -0.02 -1.26 -4.78 135.00 129.76 3kiy n PRO 8 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 3kiy n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kiy n PRO 8 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3kiy n ILE 9 N 0.00 -8.63 -3.42 4.25 0.00 -1.26 -4.63 119.36 105.66 3kiy n ILE 9 Ca 0.00 0.86 -0.38 0.00 0.00 0.00 0.00 62.75 63.23 3kiy n ILE 9 Cb 0.00 -6.24 -0.08 0.00 0.00 0.00 0.00 39.64 33.32 3kiy n ILE 9 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3kiy s PRO 10 N -1.79 4.11 -0.31 9.51 0.04 -1.26 -1.93 135.00 143.37 3kiy s PRO 10 Ca 0.11 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.08 3kiy s PRO 10 Cb -0.03 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 3kiy s PRO 10 CO 0.54 -0.11 0.41 0.08 0.04 0.00 0.00 177.00 177.96 3kiy s VAL 11 N 1.54 5.13 0.00 -0.36 1.01 -1.26 -4.91 120.40 121.55 3kiy s VAL 11 Ca 0.16 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3kiy s VAL 11 Cb -0.15 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3kiy s VAL 11 CO 0.08 -0.02 0.00 -2.65 0.00 0.00 0.00 175.10 172.51 3kiy n PRO 12 N 5.45 2.47 0.00 2.72 -0.02 -1.26 -4.69 135.00 139.67 3kiy n PRO 12 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3kiy n PRO 12 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3kiy n PRO 12 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kiy n LYS 13 N 0.00 0.00 -0.32 -0.52 3.00 -1.26 -4.53 118.16 114.52 3kiy n LYS 13 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 3kiy n LYS 13 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 3kiy n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kiy n GLY 14 N 4.41 0.92 2.57 3.14 0.00 -1.26 -4.68 105.19 110.29 3kiy n GLY 14 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 3kiy n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kiy s VAL 15 N 4.96 -0.10 -0.25 1.61 -7.23 -1.25 -4.03 120.40 114.12 3kiy s VAL 15 Ca 0.23 -0.57 -0.22 0.00 -1.81 0.00 0.00 61.98 59.61 3kiy s VAL 15 Cb 0.05 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 3kiy s VAL 15 CO 0.12 -0.58 0.71 -0.44 -0.31 0.00 0.00 175.10 174.59 3kiy s SER 16 N 2.13 6.68 -0.59 4.85 0.01 -0.82 -4.90 113.70 121.05 3kiy s SER 16 Ca 0.07 0.83 0.02 0.00 1.31 0.00 0.00 55.95 58.18 3kiy s SER 16 Cb -0.16 -2.38 0.15 0.00 0.21 0.00 0.00 66.02 63.84 3kiy s SER 16 CO -0.28 -0.43 0.36 -0.69 0.41 0.00 0.00 173.24 172.61 3kiy s VAL 17 N 2.63 3.04 0.20 3.43 1.01 -1.26 -1.69 120.40 127.77 3kiy s VAL 17 Ca 0.29 -3.34 -0.07 0.00 0.00 0.00 0.00 61.98 58.86 3kiy s VAL 17 Cb -0.15 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.12 3kiy s VAL 17 CO 0.08 -0.86 0.48 -1.61 0.00 0.00 0.00 175.10 173.19 3kiy s GLU 18 N -0.40 3.71 0.13 2.72 0.41 -1.17 -4.31 118.70 119.79 3kiy s GLU 18 Ca 0.18 0.10 0.05 0.00 -0.41 0.00 0.00 54.97 54.89 3kiy s GLU 18 Cb -0.21 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.37 3kiy s GLU 18 CO -0.03 0.37 0.04 0.08 -0.49 0.00 0.00 175.26 175.23 3kiy s VAL 19 N -1.78 4.11 0.00 2.63 1.01 -1.26 -1.79 120.40 123.32 3kiy s VAL 19 Ca 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3kiy s VAL 19 Cb -0.11 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3kiy s VAL 19 CO 0.23 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.34 3kiy n ALA 20 N 0.15 0.00 0.28 5.51 0.00 -1.25 -4.91 120.51 120.28 3kiy n ALA 20 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 3kiy n ALA 20 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 3kiy n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kiy h PRO 21 N 0.00 -0.88 -0.00 0.00 0.11 -2.00 -3.38 132.00 125.85 3kiy h PRO 21 Ca 0.00 0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.00 3kiy h PRO 21 Cb 0.00 0.20 -0.34 0.00 0.11 0.00 0.00 31.00 30.97 3kiy h PRO 21 CO 0.00 -0.58 -0.91 0.41 -0.21 0.00 0.00 178.00 176.71 3kiy n GLY 22 N -1.50 0.92 0.00 -0.55 0.00 -1.26 -4.93 105.19 97.87 3kiy n GLY 22 Ca -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3kiy n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy n ARG 23 N 0.40 3.73 0.00 1.61 1.74 -1.26 0.68 116.66 123.55 3kiy n ARG 23 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kiy n ARG 23 Cb 1.07 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.51 3kiy n ARG 23 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3kiy n VAL 24 N 0.00 0.00 -3.83 1.55 3.14 -1.16 -3.89 118.33 114.13 3kiy n VAL 24 Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 3kiy n VAL 24 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3kiy n VAL 24 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3kiy s LYS 25 N -0.37 3.11 -0.32 1.45 1.02 -0.74 -0.49 119.74 123.40 3kiy s LYS 25 Ca 0.00 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 55.01 3kiy s LYS 25 Cb 0.00 -2.72 0.15 0.00 -0.52 0.00 0.00 37.83 34.74 3kiy s LYS 25 CO 0.00 0.26 0.36 0.08 -0.92 0.00 0.00 175.35 175.13 3kiy s VAL 26 N -2.13 -0.47 0.09 3.17 1.01 -0.87 -3.06 120.40 118.15 3kiy s VAL 26 Ca 0.38 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 3kiy s VAL 26 Cb -0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 3kiy s VAL 26 CO 0.28 -0.43 0.67 -0.54 0.00 0.00 0.00 175.10 175.08 3kiy s LYS 27 N 2.15 4.39 0.25 2.72 1.02 -0.68 -2.05 119.74 127.54 3kiy s LYS 27 Ca 0.12 0.93 -0.17 0.00 0.02 0.00 0.00 55.97 56.88 3kiy s LYS 27 Cb -0.14 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 3kiy s LYS 27 CO -0.23 0.53 0.58 0.20 -0.92 0.00 0.00 175.35 175.51 3kiy s GLY 28 N -0.87 0.21 0.00 -3.33 0.00 -0.91 -1.95 107.32 100.47 3kiy s GLY 28 Ca 0.33 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.48 3kiy s GLY 28 CO 0.22 -0.37 0.22 -1.05 0.00 0.00 0.00 173.10 172.12 3kiy n PRO 29 N -0.40 0.34 0.00 2.90 -0.02 -1.02 -1.40 135.00 135.40 3kiy n PRO 29 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3kiy n PRO 29 Cb 0.61 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 3kiy n PRO 29 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kiy n LYS 30 N 0.09 3.16 0.00 -0.52 4.76 -1.11 -4.98 118.16 119.57 3kiy n LYS 30 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kiy n LYS 30 Cb 0.06 -0.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.92 3kiy n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kiy n GLY 31 N 0.59 1.10 3.67 0.72 0.00 -0.50 -4.98 105.19 105.80 3kiy n GLY 31 Ca 0.00 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 3kiy n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kiy s GLU 32 N -1.06 2.47 -0.02 1.61 2.12 -1.26 -2.14 118.70 120.42 3kiy s GLU 32 Ca 0.00 -0.89 0.04 0.00 0.36 0.00 0.00 54.97 54.48 3kiy s GLU 32 Cb 0.00 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.90 3kiy s GLU 32 CO 0.00 0.53 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.60 3kiy s LEU 33 N -2.37 1.94 -0.18 2.70 1.43 -0.87 -4.97 118.68 116.36 3kiy s LEU 33 Ca 0.25 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 3kiy s LEU 33 Cb -0.11 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 3kiy s LEU 33 CO 0.18 0.14 0.27 -1.61 0.23 0.00 0.00 176.35 175.56 3kiy s GLU 34 N -0.10 4.21 -0.32 1.70 0.41 -1.26 -2.05 118.70 121.29 3kiy s GLU 34 Ca 0.01 0.02 0.03 0.00 -0.41 0.00 0.00 54.97 54.62 3kiy s GLU 34 Cb -0.08 -3.46 0.09 0.00 -1.78 0.00 0.00 34.13 28.90 3kiy s GLU 34 CO 0.00 0.17 0.04 0.08 -0.49 0.00 0.00 175.26 175.07 3kiy s VAL 35 N 0.69 1.89 0.31 2.63 1.01 0.36 -4.99 120.40 122.29 3kiy s VAL 35 Ca 0.15 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 3kiy s VAL 35 Cb -0.13 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 33.78 3kiy s VAL 35 CO 0.04 -0.55 1.55 -2.16 0.00 0.00 0.00 175.10 173.98 3kiy s PRO 36 N 1.12 4.14 -0.04 2.72 0.04 -1.26 -3.00 135.00 138.71 3kiy s PRO 36 Ca 0.08 2.54 -0.00 0.00 0.04 0.00 0.00 61.00 63.66 3kiy s PRO 36 Cb -0.19 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.36 3kiy s PRO 36 CO -0.12 -0.58 0.02 0.08 0.04 0.00 0.00 177.00 176.44 3kiy s VAL 37 N -0.28 0.11 0.27 -0.36 1.01 0.21 -4.96 120.40 116.40 3kiy s VAL 37 Ca 0.60 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 3kiy s VAL 37 Cb -0.47 -0.26 -0.15 0.00 0.00 0.00 0.00 36.38 35.51 3kiy s VAL 37 CO 0.51 0.16 0.96 -0.24 0.00 0.00 0.00 175.10 176.49 3kiy n SER 38 N 4.57 0.98 0.00 3.32 2.88 -1.26 -4.40 113.62 119.72 3kiy n SER 38 Ca -0.18 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 3kiy n SER 38 Cb 0.50 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3kiy n SER 38 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kiy n PRO 39 N 0.84 0.00 -2.80 -1.46 -0.02 -1.26 -4.25 135.00 126.05 3kiy n PRO 39 Ca 0.11 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.15 3kiy n PRO 39 Cb 0.31 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3kiy n PRO 39 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kiy n GLU 40 N -0.84 3.52 -3.66 -0.52 -0.58 -1.26 -4.91 120.64 112.39 3kiy n GLU 40 Ca 0.00 -3.84 0.02 0.00 -0.42 0.00 0.00 57.16 52.92 3kiy n GLU 40 Cb 0.00 -2.93 0.01 0.00 -0.57 0.00 0.00 31.44 27.95 3kiy n GLU 40 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3kiy n MET 41 N 4.61 0.18 -1.95 3.49 1.56 -1.26 -4.71 117.12 119.04 3kiy n MET 41 Ca 0.36 -0.70 -0.01 0.00 -0.27 0.00 0.00 57.70 57.08 3kiy n MET 41 Cb 0.40 1.13 0.03 0.00 2.15 0.00 0.00 33.22 36.93 3kiy n MET 41 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 3kiy n ARG 42 N -0.77 0.72 -2.58 2.12 3.00 -1.26 -5.06 116.66 112.83 3kiy n ARG 42 Ca 0.03 -1.91 -0.43 0.00 -0.00 0.00 0.00 57.85 55.55 3kiy n ARG 42 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 32.46 32.78 3kiy n ARG 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3kiy s VAL 43 N -0.86 4.54 0.44 5.15 -7.23 -1.26 -4.96 120.40 116.21 3kiy s VAL 43 Ca 0.18 1.86 0.03 0.00 -1.81 0.00 0.00 61.98 62.24 3kiy s VAL 43 Cb 0.28 -4.20 -0.03 0.00 0.56 0.00 0.00 36.38 32.99 3kiy s VAL 43 CO -0.09 -0.15 0.07 -0.69 -0.31 0.00 0.00 175.10 173.93 3kiy s VAL 44 N 3.23 0.97 -0.21 1.32 1.01 -1.26 -4.82 120.40 120.64 3kiy s VAL 44 Ca 0.48 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.30 3kiy s VAL 44 Cb -0.18 -2.38 -0.18 0.00 0.00 0.00 0.00 36.38 33.65 3kiy s VAL 44 CO 0.10 0.00 1.48 0.52 0.00 0.00 0.00 175.10 177.20 3kiy n VAL 45 N -1.02 0.53 -2.95 2.92 0.31 -1.26 -4.79 118.33 112.07 3kiy n VAL 45 Ca -0.10 -0.38 -0.39 0.00 -0.01 0.00 0.00 64.34 63.45 3kiy n VAL 45 Cb 0.66 -1.88 -0.06 0.00 -0.91 0.00 0.00 33.84 31.65 3kiy n VAL 45 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3kiy s GLU 46 N 5.59 4.60 0.83 5.55 -1.05 -1.26 -4.98 118.70 127.99 3kiy s GLU 46 Ca 0.39 1.20 0.00 0.00 -0.15 0.00 0.00 54.97 56.42 3kiy s GLU 46 Cb 0.09 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 3kiy s GLU 46 CO 0.15 0.56 0.00 0.39 0.95 0.00 0.00 175.26 177.31 3kiy n GLU 47 N 1.54 -0.07 -0.20 -4.83 1.02 -1.26 -3.43 120.64 113.42 3kiy n GLU 47 Ca -0.05 0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.15 3kiy n GLU 47 Cb 0.48 -0.08 0.09 0.00 -0.02 0.00 0.00 31.44 31.91 3kiy n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kiy n GLY 48 N -0.12 1.71 0.00 0.62 0.00 -1.26 -4.80 105.19 101.35 3kiy n GLY 48 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3kiy n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kiy n VAL 49 N 0.13 0.00 -4.53 1.61 0.24 -1.22 -4.47 118.33 110.10 3kiy n VAL 49 Ca 0.06 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.12 3kiy n VAL 49 Cb 0.45 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.71 3kiy n VAL 49 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kiy s VAL 50 N -2.51 1.73 0.14 3.34 1.01 -0.81 -4.34 120.40 118.95 3kiy s VAL 50 Ca 0.00 -2.05 -0.24 0.00 0.00 0.00 0.00 61.98 59.69 3kiy s VAL 50 Cb 0.00 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.65 3kiy s VAL 50 CO 0.00 -0.08 0.73 -0.60 0.00 0.00 0.00 175.10 175.16 3kiy s ARG 51 N -3.75 1.24 0.00 2.72 3.52 -1.26 -4.62 118.95 116.80 3kiy s ARG 51 Ca 0.34 -0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 55.25 3kiy s ARG 51 Cb 0.08 0.52 0.03 0.00 -1.56 0.00 0.00 34.95 34.01 3kiy s ARG 51 CO 0.16 -0.55 0.35 0.08 -0.81 0.00 0.00 175.30 174.53 3kiy s VAL 52 N -3.57 0.06 -0.25 7.11 1.01 -1.26 -4.63 120.40 118.87 3kiy s VAL 52 Ca 0.05 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 3kiy s VAL 52 Cb -0.02 -0.77 0.10 0.00 0.00 0.00 0.00 36.38 35.69 3kiy s VAL 52 CO -0.07 -0.26 0.54 -0.70 0.00 0.00 0.00 175.10 174.61 3kiy s GLU 53 N -1.77 0.48 0.73 2.72 -6.30 -1.26 -4.78 118.70 108.53 3kiy s GLU 53 Ca -0.10 1.21 -0.11 0.00 -2.50 0.00 0.00 54.97 53.46 3kiy s GLU 53 Cb -0.03 0.49 0.03 0.00 0.00 0.00 0.00 34.13 34.63 3kiy s GLU 53 CO 0.02 -0.21 1.09 -0.98 0.02 0.00 0.00 175.26 175.20 3kiy s ARG 54 N 2.49 2.51 -0.06 4.30 1.70 -1.26 -4.36 118.95 124.27 3kiy s ARG 54 Ca -0.05 1.16 -0.20 0.00 -0.47 0.00 0.00 55.73 56.17 3kiy s ARG 54 Cb -0.11 -1.93 -0.30 0.00 -0.57 0.00 0.00 34.95 32.04 3kiy s ARG 54 CO -0.16 -1.44 0.80 -1.00 -1.08 0.00 0.00 175.30 172.41 3kiy h PRO 55 N -0.80 0.30 -5.52 3.89 0.13 -1.96 -3.49 132.00 124.56 3kiy h PRO 55 Ca -0.44 -0.51 -0.64 0.00 -0.87 0.00 0.00 66.00 63.53 3kiy h PRO 55 Cb 1.23 0.19 -0.13 0.00 0.13 0.00 0.00 31.00 32.42 3kiy h PRO 55 CO 0.53 1.24 -0.57 -1.12 -0.23 0.00 0.00 178.00 177.85 3kiy s SER 56 N -7.03 3.94 -0.68 1.44 0.01 -1.26 -5.02 113.70 105.09 3kiy s SER 56 Ca -0.15 -1.46 -0.01 0.00 1.31 0.00 0.00 55.95 55.64 3kiy s SER 56 Cb 0.02 -0.12 0.43 0.00 0.21 0.00 0.00 66.02 66.56 3kiy s SER 56 CO 0.82 -0.57 1.96 0.47 0.41 0.00 0.00 173.24 176.33 3kiy n ASP 57 N -1.06 7.43 -4.91 2.44 8.00 -1.26 -4.57 116.55 122.62 3kiy n ASP 57 Ca -0.09 -3.80 -0.29 0.00 0.71 0.00 0.00 54.79 51.32 3kiy n ASP 57 Cb 0.67 -0.95 -0.04 0.00 -0.02 0.00 0.00 41.12 40.78 3kiy n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kiy s GLU 58 N -3.87 3.62 0.00 -1.24 2.02 -1.26 -4.94 118.70 113.03 3kiy s GLU 58 Ca 0.61 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.52 3kiy s GLU 58 Cb 0.48 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3kiy s GLU 58 CO -0.11 0.33 0.49 -2.13 0.02 0.00 0.00 175.26 173.86 3kiy n ARG 59 N -0.55 0.00 -0.44 1.61 3.00 -1.26 -1.46 116.66 117.55 3kiy n ARG 59 Ca -0.02 0.44 0.41 0.00 -0.00 0.00 0.00 57.85 58.67 3kiy n ARG 59 Cb 0.53 -0.99 0.73 0.00 0.00 0.00 0.00 32.46 32.73 3kiy n ARG 59 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 3kiy h ARG 60 N 0.00 0.00 0.39 -0.14 0.11 -1.99 -0.87 114.38 111.88 3kiy h ARG 60 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3kiy h ARG 60 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3kiy h ARG 60 CO 0.00 0.00 -0.19 0.45 0.10 0.00 0.00 179.97 180.33 3kiy h HIS 61 N 0.00 -0.49 -0.97 4.08 3.86 -1.66 -2.74 115.15 117.23 3kiy h HIS 61 Ca 0.69 -0.01 0.26 0.00 -1.16 0.00 0.00 60.37 60.15 3kiy h HIS 61 Cb 2.98 0.16 -0.13 0.00 1.06 0.00 0.00 27.41 31.48 3kiy h HIS 61 CO 0.00 -0.30 0.52 0.87 0.86 0.00 0.00 177.93 179.88 3kiy h LYS 62 N -1.14 0.43 -0.69 2.45 1.57 -0.03 0.45 116.57 119.60 3kiy h LYS 62 Ca -0.05 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3kiy h LYS 62 Cb 0.41 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 3kiy h LYS 62 CO 0.09 0.29 0.39 0.77 -0.57 0.00 0.00 179.45 180.42 3kiy h SER 63 N 0.45 0.60 0.55 0.86 0.02 -1.37 -2.48 113.55 112.18 3kiy h SER 63 Ca 0.65 0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 61.40 3kiy h SER 63 Cb 1.31 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3kiy h SER 63 CO -0.54 0.39 -0.97 -0.07 -1.14 0.00 0.00 176.83 174.50 3kiy h LEU 64 N 0.73 0.35 -5.22 5.07 3.38 0.08 -3.11 115.31 116.59 3kiy h LEU 64 Ca 0.31 -0.30 -0.59 0.00 0.09 0.00 0.00 57.88 57.39 3kiy h LEU 64 Cb 0.18 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kiy h LEU 64 CO -0.18 1.13 3.44 1.57 0.09 0.00 0.00 178.44 184.49 3kiy n HIS 65 N -3.64 2.18 0.00 1.13 -0.00 0.20 -1.11 115.22 113.98 3kiy n HIS 65 Ca -0.05 -2.74 0.00 0.00 0.46 0.00 0.00 57.72 55.38 3kiy n HIS 65 Cb 0.86 -2.25 0.00 0.00 -0.12 0.00 0.00 29.99 28.48 3kiy n HIS 65 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3kiy n GLY 66 N 3.69 0.08 0.12 1.57 0.00 -1.25 -4.75 105.19 104.65 3kiy n GLY 66 Ca 0.67 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.53 3kiy n GLY 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kiy h LEU 67 N 0.00 0.49 0.07 0.99 5.85 -1.04 -3.15 115.31 118.52 3kiy h LEU 67 Ca 0.00 -0.48 -0.29 0.00 0.84 0.00 0.00 57.88 57.95 3kiy h LEU 67 Cb 0.00 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3kiy h LEU 67 CO 0.00 1.34 -1.56 0.74 -0.34 0.00 0.00 178.44 178.62 3kiy h THR 68 N 0.13 0.83 -0.17 1.05 2.02 -1.54 0.56 112.91 115.78 3kiy h THR 68 Ca -0.12 -2.28 0.05 0.00 0.77 0.00 0.00 66.41 64.82 3kiy h THR 68 Cb 1.86 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 70.69 3kiy h THR 68 CO 0.20 0.61 1.02 -0.09 0.37 0.00 0.00 175.52 177.63 3kiy h ARG 69 N -0.46 0.00 0.00 6.66 2.43 -1.73 -1.68 114.38 119.59 3kiy h ARG 69 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3kiy h ARG 69 Cb 1.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 3kiy h ARG 69 CO -0.05 0.00 -0.07 2.41 -1.51 0.00 0.00 179.97 180.75 3kiy n THR 70 N -2.63 0.20 -0.21 0.20 -1.04 -1.19 -4.61 114.28 104.99 3kiy n THR 70 Ca 0.04 0.24 0.17 0.00 -2.04 0.00 0.00 64.05 62.46 3kiy n THR 70 Cb 1.08 -1.34 0.27 0.00 -1.82 0.00 0.00 70.33 68.52 3kiy n THR 70 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kiy n LEU 71 N -2.71 0.04 0.06 -4.42 4.77 0.19 0.19 117.00 115.12 3kiy n LEU 71 Ca -0.01 0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 56.38 3kiy n LEU 71 Cb 0.04 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 3kiy n LEU 71 CO 0.01 -0.47 0.11 0.40 -1.33 0.00 0.00 177.39 176.11 3kiy h ILE 72 N 0.00 0.00 -1.61 -0.08 1.08 -1.72 -3.10 117.51 112.08 3kiy h ILE 72 Ca 0.33 -0.68 0.48 0.00 -0.39 0.00 0.00 64.86 64.60 3kiy h ILE 72 Cb 1.19 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.86 3kiy h ILE 72 CO -0.10 0.00 1.13 0.00 -0.69 0.00 0.00 178.15 178.49 3kiy h ALA 73 N -1.21 3.38 -0.32 1.87 0.00 -0.50 2.18 119.26 124.66 3kiy h ALA 73 Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3kiy h ALA 73 Cb 0.18 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kiy h ALA 73 CO 0.04 -1.91 -0.47 -0.91 0.00 0.00 0.00 179.25 176.00 3kiy h ASN 74 N 0.03 0.93 0.09 0.00 2.35 -1.58 0.16 115.58 117.56 3kiy h ASN 74 Ca 0.82 -0.46 -0.09 0.00 -0.55 0.00 0.00 56.30 56.01 3kiy h ASN 74 Cb 3.08 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 41.18 3kiy h ASN 74 CO -0.12 1.25 -0.30 0.00 -1.65 0.00 0.00 177.43 176.60 3kiy h ALA 75 N 0.78 1.17 -1.00 -0.83 0.00 0.35 0.36 119.26 120.09 3kiy h ALA 75 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kiy h ALA 75 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3kiy h ALA 75 CO 0.11 0.54 0.00 0.28 0.00 0.00 0.00 179.25 180.17 3kiy n VAL 76 N -4.10 0.00 -0.13 0.00 0.31 0.23 -2.75 118.33 111.89 3kiy n VAL 76 Ca -0.01 1.12 0.28 0.00 -0.01 0.00 0.00 64.34 65.72 3kiy n VAL 76 Cb 0.42 -2.05 0.71 0.00 -0.91 0.00 0.00 33.84 32.01 3kiy n VAL 76 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kiy h LYS 77 N 0.00 0.00 -0.69 5.55 1.57 -0.74 -1.39 116.57 120.87 3kiy h LYS 77 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3kiy h LYS 77 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3kiy h LYS 77 CO 0.00 0.00 0.40 0.78 -0.57 0.00 0.00 179.45 180.06 3kiy h GLY 78 N 0.00 1.01 -1.95 3.86 0.00 -0.12 -2.61 103.07 103.26 3kiy h GLY 78 Ca 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3kiy h GLY 78 CO -0.00 0.18 0.00 3.33 0.00 0.00 0.00 176.54 180.05 3kiy n VAL 79 N -4.75 0.88 -3.16 4.60 0.24 -0.53 -3.76 118.33 111.84 3kiy n VAL 79 Ca 0.09 -0.70 -0.22 0.00 -2.04 0.00 0.00 64.34 61.47 3kiy n VAL 79 Cb 0.16 0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 32.66 3kiy n VAL 79 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3kiy n SER 80 N 0.80 0.15 -1.72 -1.34 3.41 -0.98 -2.42 113.62 111.52 3kiy n SER 80 Ca 0.16 -2.80 -0.00 0.00 -0.26 0.00 0.00 58.87 55.96 3kiy n SER 80 Cb 0.50 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kiy n SER 80 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kiy n GLU 81 N 1.15 -2.50 0.00 4.33 1.02 -1.23 -4.83 120.64 118.57 3kiy n GLU 81 Ca 0.21 2.08 0.00 0.00 -0.02 0.00 0.00 57.16 59.43 3kiy n GLU 81 Cb 0.57 -2.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 3kiy n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kiy n GLY 82 N 0.89 0.50 0.00 0.62 0.00 -1.24 -4.46 105.19 101.49 3kiy n GLY 82 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kiy n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kiy n TYR 83 N 0.00 0.00 -1.08 1.61 0.53 -0.07 -4.61 117.16 113.53 3kiy n TYR 83 Ca 0.00 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 57.02 3kiy n TYR 83 Cb 0.32 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.58 3kiy n TYR 83 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3kiy n SER 84 N 0.00 -6.49 -1.16 7.72 2.88 -1.25 -4.13 113.62 111.18 3kiy n SER 84 Ca 0.00 0.65 -0.00 0.00 -1.33 0.00 0.00 58.87 58.19 3kiy n SER 84 Cb 0.00 -3.43 -0.00 0.00 -0.75 0.00 0.00 64.21 60.03 3kiy n SER 84 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kiy n LYS 85 N -3.71 -0.26 -4.38 -1.46 5.02 -1.26 -4.25 118.16 107.87 3kiy n LYS 85 Ca -0.02 0.66 -0.19 0.00 -2.02 0.00 0.00 58.31 56.75 3kiy n LYS 85 Cb 0.50 -0.81 -0.15 0.00 -0.02 0.00 0.00 35.03 34.56 3kiy n LYS 85 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3kiy s GLU 86 N -1.75 0.77 -0.13 1.97 -1.05 -1.26 0.93 118.70 118.18 3kiy s GLU 86 Ca -0.00 -0.39 -0.04 0.00 -0.15 0.00 0.00 54.97 54.39 3kiy s GLU 86 Cb 0.00 -0.74 -0.04 0.00 -0.44 0.00 0.00 34.13 32.91 3kiy s GLU 86 CO 0.01 0.20 0.03 -0.51 0.95 0.00 0.00 175.26 175.94 3kiy s LEU 87 N -0.34 3.70 -0.53 1.83 1.43 0.68 -4.57 118.68 120.88 3kiy s LEU 87 Ca 0.03 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3kiy s LEU 87 Cb -0.04 -1.89 0.14 0.00 0.03 0.00 0.00 46.19 44.43 3kiy s LEU 87 CO -0.00 0.29 0.35 -0.76 0.23 0.00 0.00 176.35 176.45 3kiy s LEU 88 N -0.33 5.37 0.49 1.79 2.01 -0.30 0.50 118.68 128.21 3kiy s LEU 88 Ca 0.08 -2.39 -0.24 0.00 0.01 0.00 0.00 54.13 51.59 3kiy s LEU 88 Cb -0.12 -1.88 -0.07 0.00 0.01 0.00 0.00 46.19 44.13 3kiy s LEU 88 CO 0.02 -0.49 1.37 0.27 1.01 0.00 0.00 176.35 178.53 3kiy s ILE 89 N 0.62 2.18 0.31 -0.59 -5.25 0.11 -2.75 121.20 115.83 3kiy s ILE 89 Ca 0.12 0.15 0.03 0.00 -0.99 0.00 0.00 60.65 59.96 3kiy s ILE 89 Cb -0.22 -3.08 -0.05 0.00 2.95 0.00 0.00 42.46 42.06 3kiy s ILE 89 CO -0.04 0.01 0.08 -0.54 -1.79 0.00 0.00 174.94 172.67 3kiy s LYS 90 N -2.65 1.61 0.00 0.37 -0.14 -1.09 -4.78 119.74 113.06 3kiy s LYS 90 Ca 0.65 -1.90 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 3kiy s LYS 90 Cb -0.41 -0.63 0.00 0.00 -1.68 0.00 0.00 37.83 35.12 3kiy s LYS 90 CO 0.51 -0.26 0.00 0.41 -0.76 0.00 0.00 175.35 175.24 3kiy n GLY 91 N -0.64 2.10 0.00 -3.33 0.00 -1.26 -3.14 105.19 98.91 3kiy n GLY 91 Ca -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3kiy n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kiy n ILE 92 N 1.97 0.00 0.00 -0.61 5.41 -1.26 -2.77 119.36 122.11 3kiy n ILE 92 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3kiy n ILE 92 Cb 0.00 -0.61 0.01 0.00 -0.71 0.00 0.00 39.64 38.33 3kiy n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kiy n GLY 93 N 0.00 -0.21 3.68 7.39 0.00 -1.26 -4.60 105.19 110.19 3kiy n GLY 93 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3kiy n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kiy s TYR 94 N -2.42 3.34 0.05 1.61 1.51 -1.11 -4.82 117.35 115.50 3kiy s TYR 94 Ca -0.00 1.42 -0.23 0.00 -1.01 0.00 0.00 57.07 57.25 3kiy s TYR 94 Cb 0.00 -3.29 0.05 0.00 -0.11 0.00 0.00 41.96 38.61 3kiy s TYR 94 CO 0.00 -0.70 0.53 -0.98 -1.11 0.00 0.00 175.55 173.29 3kiy s ARG 95 N 2.34 1.05 -0.02 -0.62 1.70 -1.06 -4.71 118.95 117.63 3kiy s ARG 95 Ca 0.50 -0.22 0.06 0.00 -0.47 0.00 0.00 55.73 55.61 3kiy s ARG 95 Cb -0.20 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 3kiy s ARG 95 CO 0.17 -0.38 -0.21 0.00 -1.08 0.00 0.00 175.30 173.80 3kiy s ALA 96 N -2.45 2.40 0.40 7.88 0.00 -0.11 -1.99 121.76 127.90 3kiy s ALA 96 Ca -0.05 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.84 3kiy s ALA 96 Cb -0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3kiy s ALA 96 CO -0.02 0.55 0.08 -2.13 0.00 0.00 0.00 175.76 174.24 3kiy n ARG 97 N 2.22 0.72 -4.35 0.00 0.63 -0.98 -4.73 116.66 110.16 3kiy n ARG 97 Ca -0.16 -3.18 -0.21 0.00 -0.92 0.00 0.00 57.85 53.38 3kiy n ARG 97 Cb 0.52 1.40 -0.13 0.00 0.45 0.00 0.00 32.46 34.70 3kiy n ARG 97 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3kiy s LEU 98 N 0.00 2.20 -0.34 6.15 2.96 -1.26 -1.87 118.68 126.52 3kiy s LEU 98 Ca 0.12 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3kiy s LEU 98 Cb 0.01 -0.65 0.14 0.00 0.50 0.00 0.00 46.19 46.18 3kiy s LEU 98 CO 0.08 0.03 0.25 -0.69 -1.32 0.00 0.00 176.35 174.70 3kiy s VAL 99 N -0.93 -0.07 0.00 1.68 1.01 0.39 -4.82 120.40 117.67 3kiy s VAL 99 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.74 3kiy s VAL 99 Cb -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3kiy s VAL 99 CO 0.02 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 174.93 3kiy n GLY 100 N 4.40 -1.01 0.00 4.51 0.00 -1.26 -2.41 105.19 109.42 3kiy n GLY 100 Ca 0.08 -1.23 0.09 0.00 0.00 0.00 0.00 46.02 44.95 3kiy n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy n ARG 101 N 0.00 0.17 -1.69 1.61 1.74 -1.26 -4.79 116.66 112.45 3kiy n ARG 101 Ca 0.00 0.14 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 3kiy n ARG 101 Cb 0.00 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 29.99 3kiy n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kiy s ALA 102 N -2.71 2.73 -0.17 7.54 0.00 -1.01 -4.30 121.76 123.84 3kiy s ALA 102 Ca 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.02 3kiy s ALA 102 Cb 0.12 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3kiy s ALA 102 CO 0.29 -1.18 -0.18 -1.17 0.00 0.00 0.00 175.76 173.51 3kiy s LEU 103 N -5.47 2.04 -0.68 0.00 2.96 -1.14 -0.46 118.68 115.92 3kiy s LEU 103 Ca 0.58 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3kiy s LEU 103 Cb -0.13 -1.40 0.17 0.00 0.50 0.00 0.00 46.19 45.33 3kiy s LEU 103 CO 0.54 -0.02 0.49 -0.70 -1.32 0.00 0.00 176.35 175.34 3kiy s GLU 104 N 1.34 2.58 -0.21 1.98 2.12 -0.78 0.92 118.70 126.64 3kiy s GLU 104 Ca 0.05 -2.91 -0.16 0.00 0.36 0.00 0.00 54.97 52.31 3kiy s GLU 104 Cb -0.13 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3kiy s GLU 104 CO -0.12 -1.21 0.40 -0.48 -0.54 0.00 0.00 175.26 173.32 3kiy s LEU 105 N -0.72 4.14 -0.31 2.70 2.34 -1.12 -2.32 118.68 123.39 3kiy s LEU 105 Ca 0.21 0.51 -0.11 0.00 0.06 0.00 0.00 54.13 54.80 3kiy s LEU 105 Cb -0.15 -2.52 -0.02 0.00 -0.56 0.00 0.00 46.19 42.94 3kiy s LEU 105 CO -0.07 -0.09 0.18 0.42 -1.06 0.00 0.00 176.35 175.72 3kiy s THR 106 N 1.40 4.96 -0.42 5.48 -4.23 -0.84 -3.18 115.64 118.81 3kiy s THR 106 Ca 0.19 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.52 3kiy s THR 106 Cb -0.15 -3.48 0.15 0.00 1.34 0.00 0.00 72.50 70.36 3kiy s THR 106 CO 0.08 0.10 0.27 0.68 -0.54 0.00 0.00 174.62 175.22 3kiy s VAL 107 N 1.68 0.84 0.00 2.29 -7.23 -1.26 -2.55 120.40 114.17 3kiy s VAL 107 Ca 0.06 -2.41 0.00 0.00 -1.81 0.00 0.00 61.98 57.82 3kiy s VAL 107 Cb -0.17 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.18 3kiy s VAL 107 CO 0.08 -1.01 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 3kiy n GLY 108 N 3.44 1.35 3.77 2.32 0.00 -1.26 -4.95 105.19 109.86 3kiy n GLY 108 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3kiy n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kiy s PHE 109 N 0.00 2.95 -0.65 1.61 0.08 -1.26 -4.82 117.98 115.89 3kiy s PHE 109 Ca 0.00 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.46 3kiy s PHE 109 Cb 0.00 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 3kiy s PHE 109 CO 0.00 -1.97 0.24 -1.13 -0.10 0.00 0.00 175.22 172.26 3kiy n SER 110 N 0.53 0.60 -3.64 1.36 3.41 -1.26 -4.48 113.62 110.15 3kiy n SER 110 Ca 0.01 -0.72 -0.10 0.00 -0.26 0.00 0.00 58.87 57.81 3kiy n SER 110 Cb 0.42 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 3kiy n SER 110 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kiy s HIS 111 N -0.43 -0.69 0.15 7.33 5.04 -1.26 -5.15 115.29 120.27 3kiy s HIS 111 Ca 0.00 1.59 -0.30 0.00 -1.54 0.00 0.00 55.06 54.81 3kiy s HIS 111 Cb 0.00 0.36 -0.07 0.00 0.04 0.00 0.00 32.58 32.91 3kiy s HIS 111 CO 0.00 -0.34 1.18 -1.25 -2.34 0.00 0.00 174.74 171.99 3kiy s PRO 112 N 0.60 4.49 -0.44 2.88 0.04 -1.26 -4.79 135.00 136.53 3kiy s PRO 112 Ca -0.01 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 3kiy s PRO 112 Cb -0.05 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.25 3kiy s PRO 112 CO -0.06 -0.10 0.47 0.08 0.04 0.00 0.00 177.00 177.42 3kiy s VAL 113 N 0.22 5.06 -0.42 -0.36 1.01 -1.19 -5.02 120.40 119.70 3kiy s VAL 113 Ca 0.54 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 3kiy s VAL 113 Cb -0.31 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 31.99 3kiy s VAL 113 CO 0.34 -0.51 0.72 0.68 0.00 0.00 0.00 175.10 176.33 3kiy s VAL 114 N 2.19 4.76 -0.75 2.92 -7.23 -1.26 -2.81 120.40 118.22 3kiy s VAL 114 Ca 0.12 0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 3kiy s VAL 114 Cb -0.18 -4.23 0.19 0.00 0.56 0.00 0.00 36.38 32.72 3kiy s VAL 114 CO 0.13 -0.57 0.58 -0.69 -0.31 0.00 0.00 175.10 174.24 3kiy s VAL 115 N 3.02 3.70 0.45 1.32 1.01 0.26 -4.96 120.40 125.21 3kiy s VAL 115 Ca 0.27 -3.71 -0.25 0.00 0.00 0.00 0.00 61.98 58.29 3kiy s VAL 115 Cb -0.13 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 3kiy s VAL 115 CO 0.19 -0.99 1.33 1.21 0.00 0.00 0.00 175.10 176.84 3kiy n GLU 116 N 2.58 1.99 -2.75 2.72 0.00 -1.26 -2.89 120.64 121.02 3kiy n GLU 116 Ca 0.16 0.71 -0.41 0.00 0.00 0.00 0.00 57.16 57.62 3kiy n GLU 116 Cb 0.36 -2.49 -0.04 0.00 0.00 0.00 0.00 31.44 29.27 3kiy n GLU 116 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3kiy s PRO 117 N -2.40 4.69 0.27 5.31 0.04 -1.26 -4.89 135.00 136.75 3kiy s PRO 117 Ca 0.63 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 3kiy s PRO 117 Cb -0.47 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.60 3kiy s PRO 117 CO 0.56 0.23 1.22 -1.25 0.04 0.00 0.00 177.00 177.80 3kiy s PRO 118 N -0.04 4.48 0.20 0.56 0.04 -1.26 -4.89 135.00 134.09 3kiy s PRO 118 Ca 0.46 1.99 -0.28 0.00 0.04 0.00 0.00 61.00 63.21 3kiy s PRO 118 Cb -0.23 -3.16 -0.17 0.00 0.04 0.00 0.00 34.50 30.98 3kiy s PRO 118 CO 0.29 -0.04 0.57 -1.91 0.04 0.00 0.00 177.00 175.95 3kiy n GLU 119 N 1.52 0.12 -0.01 4.56 2.13 -1.26 -2.07 120.64 125.63 3kiy n GLU 119 Ca 0.01 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3kiy n GLU 119 Cb 0.43 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 31.06 3kiy n GLU 119 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kiy n GLY 120 N 1.92 0.23 3.18 8.31 0.00 -1.26 -5.06 105.19 112.51 3kiy n GLY 120 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3kiy n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kiy s ILE 121 N -2.03 1.34 -0.05 -0.61 1.01 -0.88 -3.68 121.20 116.30 3kiy s ILE 121 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3kiy s ILE 121 Cb 0.00 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 3kiy s ILE 121 CO 0.00 0.18 -0.18 -0.89 0.00 0.00 0.00 174.94 174.05 3kiy s THR 122 N -0.68 1.52 0.01 2.92 2.01 0.49 -4.75 115.64 117.15 3kiy s THR 122 Ca 0.05 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 3kiy s THR 122 Cb -0.08 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 3kiy s THR 122 CO 0.01 0.44 0.25 -0.36 -0.69 0.00 0.00 174.62 174.27 3kiy s PHE 123 N 0.13 3.56 -0.05 4.92 2.99 -1.26 0.61 117.98 128.90 3kiy s PHE 123 Ca -0.07 0.52 0.03 0.00 0.00 0.00 0.00 56.93 57.41 3kiy s PHE 123 Cb -0.13 -1.95 0.00 0.00 0.00 0.00 0.00 43.02 40.94 3kiy s PHE 123 CO 0.03 0.61 -0.13 -1.21 -0.00 0.00 0.00 175.22 174.52 3kiy s GLU 124 N -1.86 1.52 -0.50 0.44 0.41 -0.51 -4.96 118.70 113.24 3kiy s GLU 124 Ca 0.28 -0.46 0.07 0.00 -0.41 0.00 0.00 54.97 54.46 3kiy s GLU 124 Cb -0.13 -1.32 0.27 0.00 -1.78 0.00 0.00 34.13 31.17 3kiy s GLU 124 CO 0.17 0.14 0.66 0.28 -0.49 0.00 0.00 175.26 176.02 3kiy n VAL 125 N 3.41 0.83 0.00 2.63 0.31 -1.26 -1.48 118.33 122.76 3kiy n VAL 125 Ca -0.20 -4.66 0.00 0.00 -0.01 0.00 0.00 64.34 59.48 3kiy n VAL 125 Cb 0.53 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 3kiy n VAL 125 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3kiy n PRO 126 N 0.95 0.00 -1.54 5.55 -0.04 -1.23 -4.74 135.00 133.95 3kiy n PRO 126 Ca 0.26 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.47 3kiy n PRO 126 Cb 0.49 -0.80 0.19 0.00 -0.04 0.00 0.00 33.50 33.33 3kiy n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kiy s GLU 127 N -0.60 0.21 0.10 0.54 0.41 -1.26 -4.94 118.70 113.15 3kiy s GLU 127 Ca 0.00 -0.08 0.26 0.00 -0.41 0.00 0.00 54.97 54.74 3kiy s GLU 127 Cb 0.00 -1.76 0.71 0.00 -1.78 0.00 0.00 34.13 31.29 3kiy s GLU 127 CO 0.00 -2.76 1.60 -0.35 -0.49 0.00 0.00 175.26 173.27 3kiy n PRO 128 N -4.08 0.16 -0.05 0.39 -0.04 -1.26 -3.58 135.00 126.54 3kiy n PRO 128 Ca 0.12 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 3kiy n PRO 128 Cb 0.59 -1.64 0.08 0.00 -0.04 0.00 0.00 33.50 32.50 3kiy n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kiy n THR 129 N -1.90 0.22 -4.97 0.52 -2.24 -1.26 -0.93 114.28 103.72 3kiy n THR 129 Ca 0.05 -0.61 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 3kiy n THR 129 Cb 0.39 1.11 -0.17 0.00 -2.10 0.00 0.00 70.33 69.57 3kiy n THR 129 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kiy s ARG 130 N -1.10 2.38 -0.06 -0.78 0.52 -1.24 0.05 118.95 118.72 3kiy s ARG 130 Ca 0.19 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 54.67 3kiy s ARG 130 Cb 0.12 -1.89 0.04 0.00 0.52 0.00 0.00 34.95 33.74 3kiy s ARG 130 CO 0.17 0.17 0.12 0.08 0.02 0.00 0.00 175.30 175.86 3kiy s VAL 131 N 0.33 -0.14 0.13 3.52 1.01 0.18 -3.50 120.40 121.93 3kiy s VAL 131 Ca -0.13 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.22 3kiy s VAL 131 Cb -0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3kiy s VAL 131 CO 0.06 0.12 -0.08 0.00 0.00 0.00 0.00 175.10 175.20 3kiy s ARG 132 N 1.77 2.16 -0.30 2.72 1.70 -0.55 0.25 118.95 126.69 3kiy s ARG 132 Ca -0.02 -1.08 -0.09 0.00 -0.47 0.00 0.00 55.73 54.07 3kiy s ARG 132 Cb -0.12 -2.29 -0.00 0.00 -0.57 0.00 0.00 34.95 31.97 3kiy s ARG 132 CO -0.05 0.49 0.13 0.08 -1.08 0.00 0.00 175.30 174.87 3kiy s VAL 133 N -1.38 4.43 -0.32 4.99 1.01 0.26 -1.42 120.40 127.96 3kiy s VAL 133 Ca 0.23 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 3kiy s VAL 133 Cb -0.10 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 3kiy s VAL 133 CO 0.15 0.09 0.31 -0.44 0.00 0.00 0.00 175.10 175.20 3kiy s SER 134 N 1.59 6.13 0.02 3.32 0.01 0.20 -3.90 113.70 121.07 3kiy s SER 134 Ca 0.04 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.15 3kiy s SER 134 Cb -0.17 -2.17 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 3kiy s SER 134 CO 0.05 -0.25 -0.07 -0.83 0.41 0.00 0.00 173.24 172.56 3kiy s GLY 135 N 1.72 0.40 0.00 3.44 0.00 -1.26 -0.38 107.32 111.25 3kiy s GLY 135 Ca 0.10 -0.52 0.27 0.00 0.00 0.00 0.00 44.72 44.58 3kiy s GLY 135 CO 0.11 -0.53 1.70 1.39 0.00 0.00 0.00 173.10 175.78 3kiy n ILE 136 N 2.17 0.00 0.00 0.90 -0.00 -1.24 -0.89 119.36 120.29 3kiy n ILE 136 Ca -0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 3kiy n ILE 136 Cb 0.56 -0.07 0.00 0.00 -0.00 0.00 0.00 39.64 40.13 3kiy n ILE 136 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 3kiy n ASP 137 N -1.30 0.00 0.00 4.38 -0.08 -1.26 -4.50 116.55 113.79 3kiy n ASP 137 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 3kiy n ASP 137 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 3kiy n ASP 137 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3kiy n LYS 138 N 0.00 0.00 -0.19 -0.67 4.81 -1.26 -4.79 118.16 116.05 3kiy n LYS 138 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3kiy n LYS 138 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 3kiy n LYS 138 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3kiy h GLN 139 N 0.00 0.97 0.16 1.64 5.75 -1.99 -1.81 115.11 119.83 3kiy h GLN 139 Ca 0.00 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 3kiy h GLN 139 Cb 0.00 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.46 3kiy h GLN 139 CO 0.00 0.96 -0.08 0.87 -2.65 0.00 0.00 178.83 177.94 3kiy h LYS 140 N 0.85 -0.21 0.01 1.69 1.57 -1.99 -2.93 116.57 115.56 3kiy h LYS 140 Ca 0.16 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3kiy h LYS 140 Cb 0.51 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 3kiy h LYS 140 CO 0.02 0.15 -0.22 0.28 -0.57 0.00 0.00 179.45 179.11 3kiy h VAL 141 N -0.62 0.48 -1.09 0.50 2.07 -1.91 0.87 116.25 116.54 3kiy h VAL 141 Ca -0.02 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.80 3kiy h VAL 141 Cb 0.46 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.61 3kiy h VAL 141 CO 0.04 0.00 0.70 1.23 0.02 0.00 0.00 177.57 179.55 3kiy h GLY 142 N -0.36 1.32 0.00 2.17 0.00 -1.39 0.72 103.07 105.53 3kiy h GLY 142 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3kiy h GLY 142 CO -0.20 -0.22 0.00 -1.06 0.00 0.00 0.00 176.54 175.06 3kiy n GLN 143 N -4.68 0.00 -0.49 4.80 1.13 -0.36 -2.72 117.38 115.06 3kiy n GLN 143 Ca 0.28 0.21 0.41 0.00 -1.94 0.00 0.00 57.00 55.96 3kiy n GLN 143 Cb 0.99 -0.90 0.73 0.00 0.11 0.00 0.00 30.24 31.17 3kiy n GLN 143 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3kiy h VAL 144 N 0.00 0.19 0.04 5.09 2.07 -0.62 0.91 116.25 123.93 3kiy h VAL 144 Ca 0.00 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kiy h VAL 144 Cb 0.00 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3kiy h VAL 144 CO 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 177.57 177.58 3kiy h ALA 145 N 1.35 -0.96 -0.74 1.67 0.00 0.35 -1.41 119.26 119.52 3kiy h ALA 145 Ca 0.78 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.76 3kiy h ALA 145 Cb 2.82 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 20.64 3kiy h ALA 145 CO -0.16 -0.96 0.49 0.00 0.00 0.00 0.00 179.25 178.62 3kiy h ALA 146 N -1.91 1.79 -0.94 0.00 0.00 -0.66 -1.05 119.26 116.49 3kiy h ALA 146 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3kiy h ALA 146 Cb 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 3kiy h ALA 146 CO 0.01 0.07 0.59 -0.91 0.00 0.00 0.00 179.25 179.00 3kiy h ASN 147 N 0.68 0.92 0.16 0.00 -0.26 0.80 0.22 115.58 118.10 3kiy h ASN 147 Ca 0.34 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.09 3kiy h ASN 147 Cb 0.41 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3kiy h ASN 147 CO -0.12 0.57 -0.08 0.40 -1.06 0.00 0.00 177.43 177.14 3kiy h ILE 148 N 1.05 0.88 -0.93 2.81 1.08 -0.08 -3.08 117.51 119.24 3kiy h ILE 148 Ca 0.42 -1.12 0.27 0.00 -0.39 0.00 0.00 64.86 64.04 3kiy h ILE 148 Cb 0.23 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 3kiy h ILE 148 CO -0.19 0.22 0.99 -0.09 -0.69 0.00 0.00 178.15 178.39 3kiy h ARG 149 N -0.83 0.00 -0.33 2.37 2.43 -0.83 0.38 114.38 117.57 3kiy h ARG 149 Ca -0.02 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 3kiy h ARG 149 Cb 0.53 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3kiy h ARG 149 CO 0.04 0.00 -0.46 0.00 -1.51 0.00 0.00 179.97 178.04 3kiy h ALA 150 N 0.90 0.56 -1.45 2.80 0.00 -0.87 -2.69 119.26 118.51 3kiy h ALA 150 Ca 0.44 -0.48 0.48 0.00 0.00 0.00 0.00 54.91 55.35 3kiy h ALA 150 Cb 2.41 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 19.97 3kiy h ALA 150 CO -0.00 0.68 0.95 -0.89 0.00 0.00 0.00 179.25 179.99 3kiy n ILE 151 N -4.03 -0.20 -2.74 0.00 2.08 0.13 -3.41 119.36 111.19 3kiy n ILE 151 Ca -0.03 1.71 -0.06 0.00 0.56 0.00 0.00 62.75 64.92 3kiy n ILE 151 Cb 0.58 -2.80 0.04 0.00 -0.75 0.00 0.00 39.64 36.71 3kiy n ILE 151 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3kiy n ARG 152 N -4.53 0.61 -0.98 0.38 3.00 -1.19 -5.08 116.66 108.88 3kiy n ARG 152 Ca 0.40 -1.63 -0.34 0.00 -0.00 0.00 0.00 57.85 56.27 3kiy n ARG 152 Cb 1.61 -1.25 0.10 0.00 0.00 0.00 0.00 32.46 32.92 3kiy n ARG 152 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3kiy n LYS 153 N 1.98 -0.06 0.00 -0.14 0.00 -1.02 -1.88 118.16 117.04 3kiy n LYS 153 Ca 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 3kiy n LYS 153 Cb 0.62 -1.79 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 3kiy n LYS 153 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kiy n PRO 154 N -1.07 0.00 0.00 -1.58 -0.04 -1.26 -4.60 135.00 126.44 3kiy n PRO 154 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3kiy n PRO 154 Cb 0.52 -0.36 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 3kiy n PRO 154 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3kiy n SER 155 N -0.10 0.00 -1.80 3.54 7.64 -1.26 -4.76 113.62 116.88 3kiy n SER 155 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 3kiy n SER 155 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3kiy n SER 155 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kiy n ALA 156 N 0.00 0.33 -1.68 -0.43 0.00 -1.26 -2.24 120.51 115.22 3kiy n ALA 156 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3kiy n ALA 156 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3kiy n ALA 156 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kiy n TYR 157 N 2.10 0.00 -1.62 0.00 9.36 -1.26 -4.36 117.16 121.38 3kiy n TYR 157 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 3kiy n TYR 157 Cb 0.15 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 3kiy n TYR 157 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3kiy n HIS 158 N -0.38 -4.36 0.00 2.98 8.25 -0.95 -5.04 115.22 115.72 3kiy n HIS 158 Ca 0.00 2.35 0.00 0.00 -0.26 0.00 0.00 57.72 59.81 3kiy n HIS 158 Cb 0.00 -3.60 0.00 0.00 1.12 0.00 0.00 29.99 27.51 3kiy n HIS 158 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3kiy n GLU 159 N -2.28 0.00 -0.59 -0.41 4.07 -1.26 -5.04 120.64 115.12 3kiy n GLU 159 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 3kiy n GLU 159 Cb 0.39 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.77 3kiy n GLU 159 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3kiy n LYS 160 N 0.00 0.00 0.00 5.31 5.02 -1.26 -4.57 118.16 122.66 3kiy n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kiy n LYS 160 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3kiy n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kiy n GLY 161 N 1.15 3.08 3.72 0.72 0.00 -1.19 -4.32 105.19 108.35 3kiy n GLY 161 Ca 0.04 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 3kiy n GLY 161 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kiy s ILE 162 N -1.64 4.87 0.38 -0.61 -4.36 -0.79 -2.66 121.20 116.39 3kiy s ILE 162 Ca 0.00 1.82 0.08 0.00 -0.26 0.00 0.00 60.65 62.28 3kiy s ILE 162 Cb 0.00 -4.21 -0.04 0.00 1.25 0.00 0.00 42.46 39.46 3kiy s ILE 162 CO 0.00 0.23 0.22 -0.31 0.24 0.00 0.00 174.94 175.31 3kiy s TYR 163 N 0.72 2.69 0.00 1.37 1.51 -1.11 -4.47 117.35 118.06 3kiy s TYR 163 Ca 0.45 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 3kiy s TYR 163 Cb -0.20 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 3kiy s TYR 163 CO 0.24 0.18 0.00 0.66 -1.11 0.00 0.00 175.55 175.52 3kiy n TYR 164 N -1.28 0.00 0.00 2.71 0.53 -1.26 -1.15 117.16 116.70 3kiy n TYR 164 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.87 3kiy n TYR 164 Cb 0.62 -0.27 0.00 0.00 -1.03 0.00 0.00 39.34 38.66 3kiy n TYR 164 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kiy n ALA 165 N -1.94 0.00 -2.68 -0.72 0.00 -1.26 -4.33 120.51 109.57 3kiy n ALA 165 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3kiy n ALA 165 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3kiy n ALA 165 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kiy s GLY 166 N 0.00 2.20 0.57 0.00 0.00 -1.26 -5.05 107.32 103.77 3kiy s GLY 166 Ca 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.30 3kiy s GLY 166 CO 0.00 1.08 1.04 -0.54 0.00 0.00 0.00 173.10 174.68 3kiy s GLU 167 N 1.39 3.47 0.44 2.90 2.02 -1.26 -5.05 118.70 122.61 3kiy s GLU 167 Ca 0.27 1.15 -0.21 0.00 0.02 0.00 0.00 54.97 56.20 3kiy s GLU 167 Cb -0.16 -2.06 -0.11 0.00 0.10 0.00 0.00 34.13 31.91 3kiy s GLU 167 CO 0.11 -0.68 0.96 -1.25 0.02 0.00 0.00 175.26 174.42 3kiy s PRO 168 N -4.06 4.16 -0.03 0.39 0.04 -1.26 -5.12 135.00 129.12 3kiy s PRO 168 Ca 0.63 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.89 3kiy s PRO 168 Cb -0.15 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3kiy s PRO 168 CO 0.35 -0.10 -0.22 0.54 0.04 0.00 0.00 177.00 177.62 3kiy s VAL 169 N -2.15 2.39 0.00 -0.36 0.11 -1.26 -5.16 120.40 113.97 3kiy s VAL 169 Ca 0.63 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 3kiy s VAL 169 Cb -0.10 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.88 3kiy s VAL 169 CO 0.14 0.58 0.00 -2.11 -3.33 0.00 0.00 175.10 170.39