#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n PRO 8 N 0.00 0.00 -3.05 3.23 -0.02 -1.26 -4.86 135.00 129.04 3kir n PRO 8 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 3kir n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kir n PRO 8 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3kir n ILE 9 N 0.00-10.09 -3.00 4.25 0.00 -1.26 -4.71 119.36 104.55 3kir n ILE 9 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 62.75 62.29 3kir n ILE 9 Cb 0.00 -6.86 -0.06 0.00 0.00 0.00 0.00 39.64 32.73 3kir n ILE 9 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3kir s PRO 10 N -2.99 3.65 -0.12 9.51 0.04 -1.26 -2.27 135.00 141.56 3kir s PRO 10 Ca 0.05 0.15 -0.28 0.00 0.04 0.00 0.00 61.00 60.95 3kir s PRO 10 Cb -0.01 -3.84 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 3kir s PRO 10 CO 0.76 -0.89 0.95 0.08 0.04 0.00 0.00 177.00 177.95 3kir s VAL 11 N 3.05 4.82 1.12 -0.36 1.01 -1.26 -4.98 120.40 123.80 3kir s VAL 11 Ca 0.29 1.93 -0.19 0.00 0.00 0.00 0.00 61.98 64.01 3kir s VAL 11 Cb -0.13 -4.26 0.27 0.00 0.00 0.00 0.00 36.38 32.26 3kir s VAL 11 CO 0.18 0.02 1.16 -2.65 0.00 0.00 0.00 175.10 173.81 3kir n PRO 12 N 5.02 -2.43 0.00 2.72 -0.02 -1.26 -4.65 135.00 134.37 3kir n PRO 12 Ca 0.07 -1.84 0.00 0.00 -2.02 0.00 0.00 63.50 59.72 3kir n PRO 12 Cb 0.49 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 3kir n PRO 12 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kir n LYS 13 N -4.41 0.00 -0.20 -0.52 3.00 -1.26 -3.81 118.16 110.96 3kir n LYS 13 Ca 0.15 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.63 3kir n LYS 13 Cb 0.58 -0.21 0.27 0.00 0.00 0.00 0.00 35.03 35.67 3kir n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kir n GLY 14 N 0.00 -0.34 3.79 3.14 0.00 -1.26 -4.58 105.19 105.95 3kir n GLY 14 Ca 0.00 0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 3kir n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kir s VAL 15 N -4.20 3.89 -0.10 1.61 -7.23 -1.25 -4.65 120.40 108.47 3kir s VAL 15 Ca -0.03 1.33 -0.01 0.00 -1.81 0.00 0.00 61.98 61.46 3kir s VAL 15 Cb 0.12 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.46 3kir s VAL 15 CO 0.33 -0.11 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.55 3kir s SER 16 N -1.79 1.90 -0.26 4.85 0.01 -0.04 -4.84 113.70 113.54 3kir s SER 16 Ca 0.61 -0.22 -0.12 0.00 1.31 0.00 0.00 55.95 57.52 3kir s SER 16 Cb -0.18 -0.59 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 3kir s SER 16 CO 0.23 -0.18 0.25 -0.69 0.41 0.00 0.00 173.24 173.26 3kir s VAL 17 N 1.87 5.27 0.35 3.43 1.01 -1.26 -2.19 120.40 128.89 3kir s VAL 17 Ca 0.04 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.44 3kir s VAL 17 Cb -0.13 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3kir s VAL 17 CO -0.06 0.25 0.06 -1.61 0.00 0.00 0.00 175.10 173.74 3kir s GLU 18 N 1.64 2.16 -0.05 2.72 0.41 -0.72 -4.39 118.70 120.46 3kir s GLU 18 Ca 0.10 -1.74 0.00 0.00 -0.41 0.00 0.00 54.97 52.93 3kir s GLU 18 Cb -0.15 -1.98 0.02 0.00 -1.78 0.00 0.00 34.13 30.25 3kir s GLU 18 CO 0.09 0.08 -0.03 0.08 -0.49 0.00 0.00 175.26 175.00 3kir s VAL 19 N -2.52 0.43 0.00 2.63 1.01 -1.26 -3.08 120.40 117.62 3kir s VAL 19 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3kir s VAL 19 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.88 3kir s VAL 19 CO 0.20 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.52 3kir n ALA 20 N 4.32 0.00 0.03 5.51 0.00 -1.25 -4.98 120.51 124.14 3kir n ALA 20 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 3kir n ALA 20 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 3kir n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kir h PRO 21 N 0.00 -0.54 -0.11 0.00 0.11 -2.00 -3.34 132.00 126.11 3kir h PRO 21 Ca 0.00 0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.97 3kir h PRO 21 Cb 0.00 0.12 -0.31 0.00 0.11 0.00 0.00 31.00 30.92 3kir h PRO 21 CO 0.00 -0.36 -0.93 0.41 -0.21 0.00 0.00 178.00 176.91 3kir n GLY 22 N -1.40 2.31 0.00 -0.55 0.00 -1.26 -4.88 105.19 99.41 3kir n GLY 22 Ca -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3kir n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir n ARG 23 N -0.08 2.91 0.00 1.61 1.74 -1.25 -0.02 116.66 121.56 3kir n ARG 23 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3kir n ARG 23 Cb 0.99 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.43 3kir n ARG 23 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3kir n VAL 24 N 0.00 0.00 -2.34 1.55 3.14 -1.24 -3.89 118.33 115.56 3kir n VAL 24 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 3kir n VAL 24 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 3kir n VAL 24 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3kir s LYS 25 N 0.00 3.53 -0.30 1.45 1.02 -1.18 -2.69 119.74 121.58 3kir s LYS 25 Ca 0.00 1.57 -0.03 0.00 0.02 0.00 0.00 55.97 57.53 3kir s LYS 25 Cb 0.00 -2.09 0.11 0.00 -0.52 0.00 0.00 37.83 35.33 3kir s LYS 25 CO 0.00 -0.69 0.15 0.08 -0.92 0.00 0.00 175.35 173.97 3kir s VAL 26 N -1.79 -0.05 0.07 3.17 1.01 -0.47 -1.76 120.40 120.57 3kir s VAL 26 Ca 0.70 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 3kir s VAL 26 Cb -0.23 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 3kir s VAL 26 CO 0.26 -0.76 0.46 -0.54 0.00 0.00 0.00 175.10 174.51 3kir s LYS 27 N 1.92 3.91 0.37 2.72 1.02 -0.93 -1.94 119.74 126.81 3kir s LYS 27 Ca 0.11 0.39 -0.06 0.00 0.02 0.00 0.00 55.97 56.43 3kir s LYS 27 Cb -0.17 -3.08 0.03 0.00 -0.52 0.00 0.00 37.83 34.08 3kir s LYS 27 CO -0.30 0.59 0.59 0.41 -0.92 0.00 0.00 175.35 175.73 3kir n GLY 28 N 1.28 1.73 0.30 -3.33 0.00 -0.96 -0.86 105.19 103.35 3kir n GLY 28 Ca -0.10 -1.50 0.18 0.00 0.00 0.00 0.00 46.02 44.61 3kir n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kir h PRO 29 N 0.00 0.00 0.00 1.61 0.11 -1.78 -2.93 132.00 129.01 3kir h PRO 29 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kir h PRO 29 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kir h PRO 29 CO 0.39 0.03 -1.05 1.63 -0.21 0.00 0.00 178.00 178.79 3kir n LYS 30 N -3.32 0.38 -1.06 1.05 4.76 -0.75 -5.07 118.16 114.16 3kir n LYS 30 Ca -0.02 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kir n LYS 30 Cb 0.17 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 3kir n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kir n GLY 31 N 1.32 0.02 3.76 0.72 0.00 -1.11 -4.99 105.19 104.91 3kir n GLY 31 Ca 0.01 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 3kir n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kir s GLU 32 N -1.35 2.80 -0.02 1.61 2.12 -1.26 -2.26 118.70 120.34 3kir s GLU 32 Ca 0.00 -0.82 -0.00 0.00 0.36 0.00 0.00 54.97 54.50 3kir s GLU 32 Cb 0.00 -2.63 0.02 0.00 0.26 0.00 0.00 34.13 31.78 3kir s GLU 32 CO 0.00 0.52 0.03 -0.51 -0.54 0.00 0.00 175.26 174.76 3kir s LEU 33 N -2.72 1.31 -0.26 2.70 1.43 -0.82 -4.98 118.68 115.33 3kir s LEU 33 Ca 0.29 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.30 3kir s LEU 33 Cb -0.11 -0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.05 3kir s LEU 33 CO 0.22 -0.09 0.33 -1.61 0.23 0.00 0.00 176.35 175.42 3kir s GLU 34 N 0.78 4.03 -0.65 1.70 0.41 -1.26 -1.37 118.70 122.34 3kir s GLU 34 Ca -0.06 -0.02 0.02 0.00 -0.41 0.00 0.00 54.97 54.50 3kir s GLU 34 Cb -0.09 -3.63 0.16 0.00 -1.78 0.00 0.00 34.13 28.78 3kir s GLU 34 CO -0.02 -0.21 0.44 0.08 -0.49 0.00 0.00 175.26 175.06 3kir s VAL 35 N 1.85 3.17 0.27 2.63 1.01 -1.09 -5.00 120.40 123.24 3kir s VAL 35 Ca 0.14 -3.60 -0.29 0.00 0.00 0.00 0.00 61.98 58.22 3kir s VAL 35 Cb -0.16 -3.09 -0.14 0.00 0.00 0.00 0.00 36.38 33.00 3kir s VAL 35 CO 0.09 -0.92 1.16 -0.81 0.00 0.00 0.00 175.10 174.63 3kir n PRO 36 N 2.75 1.58 -4.00 2.72 -0.04 -1.26 -3.62 135.00 133.13 3kir n PRO 36 Ca 0.12 0.56 -0.13 0.00 -0.04 0.00 0.00 63.50 64.01 3kir n PRO 36 Cb 0.35 -2.04 -0.13 0.00 -0.04 0.00 0.00 33.50 31.64 3kir n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kir s VAL 37 N -0.73 0.22 0.22 0.52 1.01 0.97 -4.96 120.40 117.65 3kir s VAL 37 Ca 0.62 -0.42 -0.32 0.00 0.00 0.00 0.00 61.98 61.87 3kir s VAL 37 Cb -0.69 -0.25 -0.13 0.00 0.00 0.00 0.00 36.38 35.31 3kir s VAL 37 CO 0.57 -0.13 1.61 -0.24 0.00 0.00 0.00 175.10 176.91 3kir n SER 38 N 2.49 3.53 0.00 3.32 2.88 -1.26 -4.47 113.62 120.10 3kir n SER 38 Ca -0.16 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3kir n SER 38 Cb 0.58 -1.52 0.01 0.00 -0.75 0.00 0.00 64.21 62.53 3kir n SER 38 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kir n PRO 39 N 3.12 0.02 -1.56 -1.46 -0.02 -1.26 -3.68 135.00 130.17 3kir n PRO 39 Ca 0.14 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.33 3kir n PRO 39 Cb 0.33 -1.15 -0.05 0.00 -0.02 0.00 0.00 33.50 32.61 3kir n PRO 39 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kir n GLU 40 N -0.65 2.73 -3.45 -0.52 -0.58 -1.26 -4.87 120.64 112.04 3kir n GLU 40 Ca 0.00 -2.48 -0.02 0.00 -0.42 0.00 0.00 57.16 54.24 3kir n GLU 40 Cb 0.00 -2.21 0.02 0.00 -0.57 0.00 0.00 31.44 28.67 3kir n GLU 40 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3kir n MET 41 N 1.04 0.48 -2.73 3.49 1.56 -1.24 -4.58 117.12 115.14 3kir n MET 41 Ca 0.51 -1.13 -0.08 0.00 -0.27 0.00 0.00 57.70 56.72 3kir n MET 41 Cb 0.51 1.56 0.08 0.00 2.15 0.00 0.00 33.22 37.53 3kir n MET 41 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 3kir n ARG 42 N -0.61 0.90 -3.56 2.12 0.63 -1.26 -5.12 116.66 109.75 3kir n ARG 42 Ca -0.01 -1.79 -0.40 0.00 -0.92 0.00 0.00 57.85 54.74 3kir n ARG 42 Cb 0.48 -1.06 -0.11 0.00 0.45 0.00 0.00 32.46 32.22 3kir n ARG 42 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3kir s VAL 43 N 0.35 5.17 0.26 5.15 -7.23 -1.26 -4.97 120.40 117.85 3kir s VAL 43 Ca 0.24 -0.18 0.11 0.00 -1.81 0.00 0.00 61.98 60.34 3kir s VAL 43 Cb 0.28 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 3kir s VAL 43 CO -0.10 0.05 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.86 3kir s VAL 44 N 1.71 2.29 -0.33 1.32 1.01 -1.26 -4.81 120.40 120.32 3kir s VAL 44 Ca 0.06 -2.34 -0.28 0.00 0.00 0.00 0.00 61.98 59.42 3kir s VAL 44 Cb -0.17 -2.22 -0.12 0.00 0.00 0.00 0.00 36.38 33.86 3kir s VAL 44 CO 0.10 -0.43 1.40 0.52 0.00 0.00 0.00 175.10 176.68 3kir n VAL 45 N -0.51 0.00 -3.73 2.92 0.31 -1.26 -4.87 118.33 111.19 3kir n VAL 45 Ca -0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.02 3kir n VAL 45 Cb 0.60 -0.32 -0.17 0.00 -0.91 0.00 0.00 33.84 33.03 3kir n VAL 45 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3kir s GLU 46 N 3.95 0.54 2.49 5.55 -1.05 -1.26 -5.12 118.70 123.80 3kir s GLU 46 Ca 0.78 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 55.47 3kir s GLU 46 Cb -0.96 -1.54 0.00 0.00 -0.44 0.00 0.00 34.13 31.19 3kir s GLU 46 CO 0.42 -0.49 0.00 0.39 0.95 0.00 0.00 175.26 176.53 3kir n GLU 47 N 5.13 0.00 -0.03 -4.83 1.02 -1.26 -3.61 120.64 117.06 3kir n GLU 47 Ca -0.08 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.19 3kir n GLU 47 Cb 0.49 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.37 3kir n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kir n GLY 48 N 0.00 0.16 0.00 0.62 0.00 -1.26 -4.87 105.19 99.84 3kir n GLY 48 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3kir n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kir n VAL 49 N 0.30 0.00 -3.72 1.61 0.24 -1.24 -4.15 118.33 111.37 3kir n VAL 49 Ca 0.18 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.38 3kir n VAL 49 Cb 0.37 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 3kir n VAL 49 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kir s VAL 50 N 1.32 0.09 0.16 3.34 1.01 -0.96 -4.30 120.40 121.06 3kir s VAL 50 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 3kir s VAL 50 Cb 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 3kir s VAL 50 CO 0.00 -0.42 0.30 -0.13 0.00 0.00 0.00 175.10 174.85 3kir s ARG 51 N -3.59 1.13 -0.06 2.72 0.52 -1.26 -4.62 118.95 113.79 3kir s ARG 51 Ca 0.02 -1.09 -0.05 0.00 -0.52 0.00 0.00 55.73 54.09 3kir s ARG 51 Cb 0.02 0.39 0.02 0.00 0.52 0.00 0.00 34.95 35.90 3kir s ARG 51 CO -0.10 -0.42 0.16 0.08 0.02 0.00 0.00 175.30 175.05 3kir s VAL 52 N -3.94 -0.01 -0.04 3.52 1.01 -1.26 -4.80 120.40 114.88 3kir s VAL 52 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3kir s VAL 52 Cb 0.03 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.20 3kir s VAL 52 CO -0.02 0.02 0.07 -1.61 0.00 0.00 0.00 175.10 173.55 3kir s GLU 53 N 0.37 -0.03 0.31 2.72 0.41 -1.26 -4.96 118.70 116.25 3kir s GLU 53 Ca -0.02 0.31 -0.17 0.00 -0.41 0.00 0.00 54.97 54.68 3kir s GLU 53 Cb -0.04 -0.33 -0.09 0.00 -1.78 0.00 0.00 34.13 31.90 3kir s GLU 53 CO -0.02 -0.23 0.76 -0.98 -0.49 0.00 0.00 175.26 174.30 3kir s ARG 54 N 1.55 4.09 0.00 1.61 1.04 -1.26 -4.55 118.95 121.43 3kir s ARG 54 Ca -0.03 0.77 0.00 0.00 -1.04 0.00 0.00 55.73 55.42 3kir s ARG 54 Cb -0.12 -2.51 0.00 0.00 -2.04 0.00 0.00 34.95 30.28 3kir s ARG 54 CO -0.04 0.19 0.63 -0.35 -0.04 0.00 0.00 175.30 175.70 3kir n PRO 55 N -0.14 0.00 -2.74 3.89 -0.04 -1.26 -4.93 135.00 129.78 3kir n PRO 55 Ca 0.03 0.48 -0.21 0.00 -0.04 0.00 0.00 63.50 63.75 3kir n PRO 55 Cb 0.53 -1.30 0.07 0.00 -0.04 0.00 0.00 33.50 32.76 3kir n PRO 55 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3kir s SER 56 N -2.32 4.91 -0.55 3.54 0.01 -1.26 -5.01 113.70 113.02 3kir s SER 56 Ca 0.00 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3kir s SER 56 Cb 0.00 -0.27 0.45 0.00 0.21 0.00 0.00 66.02 66.41 3kir s SER 56 CO 0.00 -1.43 1.75 0.47 0.41 0.00 0.00 173.24 174.44 3kir n ASP 57 N -2.47 6.76 -4.93 2.44 8.00 -1.26 -4.62 116.55 120.47 3kir n ASP 57 Ca 0.12 -3.78 -0.25 0.00 0.71 0.00 0.00 54.79 51.59 3kir n ASP 57 Cb 0.60 -0.77 0.02 0.00 -0.02 0.00 0.00 41.12 40.95 3kir n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kir s GLU 58 N -3.76 3.06 0.00 -1.24 2.02 -1.26 -4.90 118.70 112.62 3kir s GLU 58 Ca 0.60 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.42 3kir s GLU 58 Cb 0.47 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3kir s GLU 58 CO -0.01 -0.46 0.62 -2.13 0.02 0.00 0.00 175.26 173.30 3kir n ARG 59 N -2.33 0.00 -0.34 1.61 3.00 -1.26 -1.99 116.66 115.35 3kir n ARG 59 Ca 0.03 0.51 0.14 0.00 -0.00 0.00 0.00 57.85 58.53 3kir n ARG 59 Cb 0.57 -1.12 0.29 0.00 0.00 0.00 0.00 32.46 32.20 3kir n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kir h ARG 60 N 0.00 0.02 0.41 -0.14 3.08 -1.99 -1.11 114.38 114.65 3kir h ARG 60 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kir h ARG 60 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3kir h ARG 60 CO 0.00 0.01 -0.39 0.45 -1.07 0.00 0.00 179.97 178.97 3kir h HIS 61 N 0.02 -1.06 -0.44 3.04 3.86 -1.83 0.23 115.15 118.98 3kir h HIS 61 Ca 0.59 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.93 3kir h HIS 61 Cb 1.21 0.41 -0.02 0.00 1.06 0.00 0.00 27.41 30.08 3kir h HIS 61 CO -0.49 -0.55 0.33 0.87 0.86 0.00 0.00 177.93 178.96 3kir h LYS 62 N -0.81 0.00 -0.01 2.45 1.57 -0.58 0.15 116.57 119.33 3kir h LYS 62 Ca -0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 3kir h LYS 62 Cb 0.72 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.05 3kir h LYS 62 CO -0.05 0.00 -1.00 0.77 -0.57 0.00 0.00 179.45 178.59 3kir h SER 63 N 0.00 0.81 0.89 0.86 0.02 -0.55 -3.22 113.55 112.36 3kir h SER 63 Ca 0.21 -0.64 -0.16 0.00 -0.84 0.00 0.00 61.79 60.35 3kir h SER 63 Cb 0.87 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3kir h SER 63 CO -0.00 1.44 -0.77 -0.07 -1.14 0.00 0.00 176.83 176.29 3kir h LEU 64 N 0.36 0.00 -9.72 5.07 3.38 0.02 -3.22 115.31 111.20 3kir h LEU 64 Ca -0.11 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.34 3kir h LEU 64 Cb 1.65 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.42 3kir h LEU 64 CO 0.19 0.77 0.51 -2.28 0.09 0.00 0.00 178.44 177.72 3kir s HIS 65 N -3.14 3.51 0.00 1.13 2.46 0.42 -1.39 115.29 118.28 3kir s HIS 65 Ca 0.00 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.10 3kir s HIS 65 Cb 0.11 -3.35 0.00 0.00 -0.13 0.00 0.00 32.58 29.21 3kir s HIS 65 CO 0.78 -0.85 0.00 0.41 -2.47 0.00 0.00 174.74 172.61 3kir n GLY 66 N 1.75 2.34 0.27 1.59 0.00 -1.26 -4.60 105.19 105.28 3kir n GLY 66 Ca 0.02 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.60 3kir n GLY 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kir h LEU 67 N 0.00 0.40 0.00 0.99 5.85 -1.49 -1.53 115.31 119.54 3kir h LEU 67 Ca 0.00 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 3kir h LEU 67 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3kir h LEU 67 CO 0.00 0.44 -0.48 0.74 -0.34 0.00 0.00 178.44 178.80 3kir h THR 68 N 0.43 0.72 -0.44 1.05 2.02 -1.48 -2.40 112.91 112.81 3kir h THR 68 Ca 0.10 -1.68 0.09 0.00 0.77 0.00 0.00 66.41 65.68 3kir h THR 68 Cb 0.23 1.51 -0.08 0.00 -1.74 0.00 0.00 68.15 68.07 3kir h THR 68 CO 0.00 0.25 -0.12 -1.14 0.37 0.00 0.00 175.52 174.88 3kir n ARG 69 N -4.60 -0.05 -0.03 6.66 0.63 -1.15 -0.21 116.66 117.92 3kir n ARG 69 Ca -0.13 0.69 -0.01 0.00 -0.92 0.00 0.00 57.85 57.48 3kir n ARG 69 Cb 0.38 -1.03 -0.00 0.00 0.45 0.00 0.00 32.46 32.26 3kir n ARG 69 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3kir h THR 70 N 0.00 0.00 -1.67 5.15 2.02 -1.42 -3.01 112.91 113.98 3kir h THR 70 Ca 0.20 -0.95 0.51 0.00 0.77 0.00 0.00 66.41 66.94 3kir h THR 70 Cb 0.32 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.64 3kir h THR 70 CO -0.45 0.00 1.17 0.18 0.37 0.00 0.00 175.52 176.79 3kir n LEU 71 N -4.79 0.06 0.05 2.58 4.77 0.61 0.39 117.00 120.67 3kir n LEU 71 Ca -0.01 1.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.96 3kir n LEU 71 Cb 0.02 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 3kir n LEU 71 CO 0.02 -1.06 0.10 0.40 -1.33 0.00 0.00 177.39 175.52 3kir h ILE 72 N 0.00 0.00 -1.31 -0.08 1.08 -0.69 -3.15 117.51 113.36 3kir h ILE 72 Ca 0.85 -0.65 0.40 0.00 -0.39 0.00 0.00 64.86 65.08 3kir h ILE 72 Cb 3.24 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 36.89 3kir h ILE 72 CO -0.13 0.00 0.87 0.00 -0.69 0.00 0.00 178.15 178.19 3kir h ALA 73 N -1.26 2.77 -0.29 1.87 0.00 0.08 0.96 119.26 123.40 3kir h ALA 73 Ca -0.02 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3kir h ALA 73 Cb 0.16 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kir h ALA 73 CO 0.04 -1.32 -0.44 -0.91 0.00 0.00 0.00 179.25 176.61 3kir h ASN 74 N 0.13 0.80 -0.29 0.00 2.35 -1.18 0.93 115.58 118.33 3kir h ASN 74 Ca 0.76 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 56.09 3kir h ASN 74 Cb 2.44 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 40.56 3kir h ASN 74 CO -0.32 1.13 0.05 0.00 -1.65 0.00 0.00 177.43 176.64 3kir h ALA 75 N 0.91 1.39 -0.91 -0.83 0.00 0.96 0.37 119.26 121.15 3kir h ALA 75 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kir h ALA 75 Cb 0.99 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3kir h ALA 75 CO 0.09 0.43 0.00 0.28 0.00 0.00 0.00 179.25 180.06 3kir n VAL 76 N -4.30 0.00 0.20 0.00 0.31 -0.54 -2.57 118.33 111.43 3kir n VAL 76 Ca 0.02 0.99 0.16 0.00 -0.01 0.00 0.00 64.34 65.50 3kir n VAL 76 Cb 0.22 -1.88 0.62 0.00 -0.91 0.00 0.00 33.84 31.89 3kir n VAL 76 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kir h LYS 77 N 0.00 0.00 -0.03 5.55 1.57 -0.81 -0.16 116.57 122.69 3kir h LYS 77 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3kir h LYS 77 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kir h LYS 77 CO 0.00 0.00 -0.81 0.78 -0.57 0.00 0.00 179.45 178.85 3kir h GLY 78 N 0.00 0.33 -0.19 3.86 0.00 -0.21 -3.19 103.07 103.67 3kir h GLY 78 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3kir h GLY 78 CO -0.00 0.46 -0.03 3.33 0.00 0.00 0.00 176.54 180.30 3kir n VAL 79 N -3.75 0.00 -3.41 4.60 0.24 -0.08 -3.90 118.33 112.03 3kir n VAL 79 Ca -0.04 -0.20 -0.26 0.00 -2.04 0.00 0.00 64.34 61.79 3kir n VAL 79 Cb 0.76 0.36 -0.09 0.00 -1.47 0.00 0.00 33.84 33.40 3kir n VAL 79 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3kir n SER 80 N -0.07 1.10 -2.61 -1.34 3.41 -1.18 -1.80 113.62 111.13 3kir n SER 80 Ca 0.19 -2.82 -0.05 0.00 -0.26 0.00 0.00 58.87 55.93 3kir n SER 80 Cb 0.32 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 3kir n SER 80 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kir n GLU 81 N 1.85 -4.46 0.00 4.33 1.02 -1.25 -4.84 120.64 117.28 3kir n GLU 81 Ca 0.25 3.38 0.00 0.00 -0.02 0.00 0.00 57.16 60.77 3kir n GLU 81 Cb 0.46 -5.13 0.00 0.00 -0.02 0.00 0.00 31.44 26.75 3kir n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kir n GLY 82 N 1.55 -1.28 0.00 0.62 0.00 -1.21 -4.66 105.19 100.21 3kir n GLY 82 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3kir n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kir n TYR 83 N 0.00 0.00 -2.21 1.61 0.53 -0.93 -4.78 117.16 111.38 3kir n TYR 83 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.90 3kir n TYR 83 Cb 0.50 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.80 3kir n TYR 83 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3kir n SER 84 N 0.00 -1.50 -1.54 7.72 2.88 -1.25 -4.59 113.62 115.34 3kir n SER 84 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3kir n SER 84 Cb 0.00 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 3kir n SER 84 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3kir n LYS 85 N -1.05 -2.86 -4.05 -1.46 0.00 -1.26 -4.17 118.16 103.31 3kir n LYS 85 Ca 0.00 2.29 -0.08 0.00 0.00 0.00 0.00 58.31 60.51 3kir n LYS 85 Cb 0.07 -2.53 -0.10 0.00 0.00 0.00 0.00 35.03 32.47 3kir n LYS 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3kir s GLU 86 N -1.49 0.51 0.06 1.64 1.03 -1.26 -1.08 118.70 118.12 3kir s GLU 86 Ca 0.00 -0.98 0.09 0.00 0.03 0.00 0.00 54.97 54.10 3kir s GLU 86 Cb 0.00 0.12 -0.03 0.00 -0.80 0.00 0.00 34.13 33.43 3kir s GLU 86 CO 0.00 -0.08 -0.24 -0.51 -1.33 0.00 0.00 175.26 173.10 3kir s LEU 87 N -2.34 2.20 -0.34 1.83 1.43 0.82 -4.46 118.68 117.82 3kir s LEU 87 Ca -0.02 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3kir s LEU 87 Cb 0.00 -1.13 0.07 0.00 0.03 0.00 0.00 46.19 45.17 3kir s LEU 87 CO -0.06 0.20 0.08 -0.76 0.23 0.00 0.00 176.35 176.04 3kir s LEU 88 N -1.40 4.46 0.36 1.79 2.01 -0.05 -0.74 118.68 125.12 3kir s LEU 88 Ca 0.10 -1.58 -0.25 0.00 0.01 0.00 0.00 54.13 52.41 3kir s LEU 88 Cb -0.10 -1.76 -0.09 0.00 0.01 0.00 0.00 46.19 44.25 3kir s LEU 88 CO 0.03 -0.37 1.01 0.27 1.01 0.00 0.00 176.35 178.30 3kir s ILE 89 N 1.20 3.90 0.03 -0.59 -5.25 -0.68 -1.68 121.20 118.13 3kir s ILE 89 Ca 0.01 1.53 0.04 0.00 -0.99 0.00 0.00 60.65 61.24 3kir s ILE 89 Cb -0.21 -3.83 -0.02 0.00 2.95 0.00 0.00 42.46 41.36 3kir s ILE 89 CO -0.02 0.08 -0.12 -0.54 -1.79 0.00 0.00 174.94 172.55 3kir s LYS 90 N -2.25 0.84 0.00 0.37 -0.14 -0.47 -4.85 119.74 113.24 3kir s LYS 90 Ca 0.54 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 54.49 3kir s LYS 90 Cb -0.21 -0.81 0.00 0.00 -1.68 0.00 0.00 37.83 35.12 3kir s LYS 90 CO 0.27 0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.47 3kir n GLY 91 N 2.06 4.14 0.00 -3.33 0.00 -1.26 -2.20 105.19 104.61 3kir n GLY 91 Ca -0.18 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3kir n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kir n ILE 92 N 0.00 0.00 1.67 -0.61 5.41 -1.26 -0.19 119.36 124.39 3kir n ILE 92 Ca 0.00 0.56 0.15 0.00 1.00 0.00 0.00 62.75 64.45 3kir n ILE 92 Cb 0.00 -0.77 0.69 0.00 -0.71 0.00 0.00 39.64 38.85 3kir n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kir n GLY 93 N -0.89 -0.47 3.71 7.39 0.00 -1.26 -4.89 105.19 108.77 3kir n GLY 93 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3kir n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kir s TYR 94 N -2.05 3.66 -0.06 1.61 1.51 0.74 -4.86 117.35 117.89 3kir s TYR 94 Ca 0.41 1.68 -0.31 0.00 -1.01 0.00 0.00 57.07 57.84 3kir s TYR 94 Cb 0.21 -3.14 0.08 0.00 -0.11 0.00 0.00 41.96 39.00 3kir s TYR 94 CO 0.36 -0.10 0.74 -0.98 -1.11 0.00 0.00 175.55 174.46 3kir s ARG 95 N 0.84 0.97 0.04 -0.62 1.70 -1.08 -4.62 118.95 116.18 3kir s ARG 95 Ca 0.52 0.21 0.04 0.00 -0.47 0.00 0.00 55.73 56.03 3kir s ARG 95 Cb -0.22 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 3kir s ARG 95 CO 0.28 -0.31 -0.04 0.00 -1.08 0.00 0.00 175.30 174.16 3kir s ALA 96 N -1.27 3.14 0.28 7.88 0.00 0.61 -1.71 121.76 130.68 3kir s ALA 96 Ca -0.09 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.84 3kir s ALA 96 Cb -0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3kir s ALA 96 CO 0.07 0.65 0.17 0.50 0.00 0.00 0.00 175.76 177.15 3kir s ARG 97 N -1.78 1.51 0.16 0.00 3.52 -0.69 -4.70 118.95 116.96 3kir s ARG 97 Ca 0.20 -1.85 0.10 0.00 -0.13 0.00 0.00 55.73 54.06 3kir s ARG 97 Cb -0.11 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.31 3kir s ARG 97 CO 0.12 -0.46 -0.22 -1.17 -0.81 0.00 0.00 175.30 172.75 3kir s LEU 98 N -3.31 2.40 -0.45 -0.88 2.96 -1.26 -1.26 118.68 116.87 3kir s LEU 98 Ca 0.38 -0.82 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3kir s LEU 98 Cb 0.05 -1.02 0.18 0.00 0.50 0.00 0.00 46.19 45.90 3kir s LEU 98 CO 0.18 0.07 0.53 -0.69 -1.32 0.00 0.00 176.35 175.12 3kir s VAL 99 N -1.64 -0.41 0.00 1.68 1.01 -0.62 -4.79 120.40 115.63 3kir s VAL 99 Ca 0.16 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.57 3kir s VAL 99 Cb -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3kir s VAL 99 CO 0.07 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.24 3kir n GLY 100 N 3.14 0.03 0.07 4.51 0.00 -1.26 -2.85 105.19 108.83 3kir n GLY 100 Ca 0.21 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.22 3kir n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir n ARG 101 N 5.02 0.14 -1.74 1.61 1.74 -1.26 -4.83 116.66 117.35 3kir n ARG 101 Ca 0.00 0.23 -0.30 0.00 -0.77 0.00 0.00 57.85 57.00 3kir n ARG 101 Cb 0.00 -1.70 0.06 0.00 -1.02 0.00 0.00 32.46 29.80 3kir n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kir s ALA 102 N -3.12 2.67 -0.17 7.54 0.00 -1.13 -4.45 121.76 123.11 3kir s ALA 102 Ca 0.09 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3kir s ALA 102 Cb 0.13 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 20.19 3kir s ALA 102 CO 0.47 -1.30 -0.17 -1.17 0.00 0.00 0.00 175.76 173.59 3kir s LEU 103 N -5.50 2.00 -0.52 0.00 2.96 -1.20 -1.58 118.68 114.83 3kir s LEU 103 Ca 0.59 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3kir s LEU 103 Cb -0.12 -1.36 0.14 0.00 0.50 0.00 0.00 46.19 45.34 3kir s LEU 103 CO 0.53 -0.03 0.32 -0.70 -1.32 0.00 0.00 176.35 175.15 3kir s GLU 104 N 1.36 2.26 0.03 1.98 2.12 -0.39 0.26 118.70 126.33 3kir s GLU 104 Ca 0.04 -2.24 0.01 0.00 0.36 0.00 0.00 54.97 53.14 3kir s GLU 104 Cb -0.13 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3kir s GLU 104 CO -0.12 -1.12 0.12 -0.48 -0.54 0.00 0.00 175.26 173.12 3kir s LEU 105 N 0.42 4.02 -0.22 2.70 2.34 -0.81 -1.71 118.68 125.42 3kir s LEU 105 Ca 0.13 0.15 0.01 0.00 0.06 0.00 0.00 54.13 54.48 3kir s LEU 105 Cb -0.22 -2.52 0.03 0.00 -0.56 0.00 0.00 46.19 42.93 3kir s LEU 105 CO -0.04 0.22 -0.14 0.42 -1.06 0.00 0.00 176.35 175.76 3kir s THR 106 N -1.34 2.31 -0.43 5.48 -4.23 -0.69 -1.41 115.64 115.33 3kir s THR 106 Ca 0.28 -1.16 0.09 0.00 -1.18 0.00 0.00 61.69 59.72 3kir s THR 106 Cb -0.12 -2.14 0.41 0.00 1.34 0.00 0.00 72.50 71.98 3kir s THR 106 CO 0.20 0.29 1.01 1.33 -0.54 0.00 0.00 174.62 176.91 3kir n VAL 107 N 4.58 1.97 0.00 2.29 0.24 -1.26 -2.64 118.33 123.51 3kir n VAL 107 Ca -0.18 -4.61 0.00 0.00 -2.04 0.00 0.00 64.34 57.52 3kir n VAL 107 Cb 0.47 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 3kir n VAL 107 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kir n GLY 108 N -0.27 2.94 3.77 7.63 0.00 -1.26 -4.99 105.19 113.01 3kir n GLY 108 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 3kir n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kir s PHE 109 N -2.05 2.62 -1.39 1.61 0.08 -1.26 -4.79 117.98 112.80 3kir s PHE 109 Ca 0.00 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.40 3kir s PHE 109 Cb 0.00 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.68 3kir s PHE 109 CO 0.00 -2.49 0.01 -1.13 -0.10 0.00 0.00 175.22 171.50 3kir n SER 110 N -0.13 0.01 -3.61 1.36 3.41 -1.26 -4.44 113.62 108.95 3kir n SER 110 Ca 0.05 -0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.55 3kir n SER 110 Cb 0.43 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 3kir n SER 110 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kir s HIS 111 N -1.39 -0.41 1.08 7.33 5.65 -1.26 -5.18 115.29 121.11 3kir s HIS 111 Ca 0.00 0.89 -0.13 0.00 0.25 0.00 0.00 55.06 56.07 3kir s HIS 111 Cb 0.00 0.40 0.23 0.00 -1.18 0.00 0.00 32.58 32.04 3kir s HIS 111 CO 0.00 -0.26 1.07 -1.25 -0.65 0.00 0.00 174.74 173.65 3kir s PRO 112 N -0.31 -0.21 -0.13 2.88 0.04 -1.26 -4.84 135.00 131.17 3kir s PRO 112 Ca 0.02 0.59 -0.00 0.00 0.04 0.00 0.00 61.00 61.64 3kir s PRO 112 Cb -0.03 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.88 3kir s PRO 112 CO -0.04 -3.18 -0.09 0.08 0.04 0.00 0.00 177.00 173.82 3kir s VAL 113 N -2.78 1.14 -0.16 -0.36 1.01 -0.50 -5.02 120.40 113.73 3kir s VAL 113 Ca 0.67 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 3kir s VAL 113 Cb -0.21 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 3kir s VAL 113 CO 0.60 0.36 0.24 0.68 0.00 0.00 0.00 175.10 176.98 3kir s VAL 114 N 1.66 5.34 -0.65 2.92 -7.23 -1.26 -1.93 120.40 119.24 3kir s VAL 114 Ca 0.04 0.44 0.05 0.00 -1.81 0.00 0.00 61.98 60.71 3kir s VAL 114 Cb -0.13 -3.58 0.19 0.00 0.56 0.00 0.00 36.38 33.42 3kir s VAL 114 CO -0.09 0.42 0.53 0.52 -0.31 0.00 0.00 175.10 176.18 3kir n VAL 115 N 3.40 1.40 -1.68 1.32 0.31 0.14 -4.96 118.33 118.26 3kir n VAL 115 Ca -0.14 -4.76 -0.46 0.00 -0.01 0.00 0.00 64.34 58.98 3kir n VAL 115 Cb 0.52 -2.11 -0.04 0.00 -0.91 0.00 0.00 33.84 31.30 3kir n VAL 115 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kir n GLU 116 N 1.83 2.32 -2.16 5.55 0.00 -1.26 -3.25 120.64 123.67 3kir n GLU 116 Ca 0.23 0.85 -0.38 0.00 0.00 0.00 0.00 57.16 57.86 3kir n GLU 116 Cb 0.38 -2.69 -0.00 0.00 0.00 0.00 0.00 31.44 29.13 3kir n GLU 116 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3kir s PRO 117 N 3.07 3.72 0.54 5.31 0.04 -1.26 -4.99 135.00 141.43 3kir s PRO 117 Ca 0.87 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 63.72 3kir s PRO 117 Cb -0.64 -2.46 0.13 0.00 0.04 0.00 0.00 34.50 31.57 3kir s PRO 117 CO 0.45 -0.62 0.69 -0.35 0.04 0.00 0.00 177.00 177.21 3kir n PRO 118 N -0.43 -0.91 -1.71 0.56 -0.04 -1.26 -4.96 135.00 126.25 3kir n PRO 118 Ca 0.07 -1.08 -0.43 0.00 -0.04 0.00 0.00 63.50 62.03 3kir n PRO 118 Cb 0.47 -0.76 -0.03 0.00 -0.04 0.00 0.00 33.50 33.14 3kir n PRO 118 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kir n GLU 119 N -2.63 2.68 -3.13 0.54 4.07 -1.26 -3.23 120.64 117.69 3kir n GLU 119 Ca 0.09 0.96 -0.18 0.00 -0.06 0.00 0.00 57.16 57.97 3kir n GLU 119 Cb 0.31 -2.79 0.05 0.00 -0.06 0.00 0.00 31.44 28.95 3kir n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kir n GLY 120 N 3.66 -0.21 2.87 8.31 0.00 -1.26 -5.03 105.19 113.53 3kir n GLY 120 Ca 0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3kir n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kir s ILE 121 N -3.16 -0.00 0.06 -0.61 1.01 -1.20 -3.95 121.20 113.35 3kir s ILE 121 Ca 0.36 0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.09 3kir s ILE 121 Cb -0.16 -0.02 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 3kir s ILE 121 CO 0.45 0.00 -0.20 -0.89 0.00 0.00 0.00 174.94 174.30 3kir s THR 122 N 0.05 1.63 -0.13 2.92 2.01 0.06 -4.75 115.64 117.42 3kir s THR 122 Ca -0.00 -1.28 -0.03 0.00 0.31 0.00 0.00 61.69 60.69 3kir s THR 122 Cb -0.01 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3kir s THR 122 CO -0.00 0.11 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.64 3kir s PHE 123 N -0.91 3.02 -0.10 4.92 2.99 -1.26 -0.18 117.98 126.46 3kir s PHE 123 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 56.93 56.78 3kir s PHE 123 Cb -0.09 -1.89 -0.03 0.00 0.00 0.00 0.00 43.02 41.00 3kir s PHE 123 CO 0.02 0.08 -0.00 -1.21 -0.00 0.00 0.00 175.22 174.11 3kir s GLU 124 N 0.02 3.12 -0.40 0.44 0.41 -0.58 -4.98 118.70 116.74 3kir s GLU 124 Ca 0.00 -0.43 0.12 0.00 -0.41 0.00 0.00 54.97 54.26 3kir s GLU 124 Cb -0.13 -2.82 0.39 0.00 -1.78 0.00 0.00 34.13 29.79 3kir s GLU 124 CO 0.03 0.61 0.88 0.28 -0.49 0.00 0.00 175.26 176.57 3kir n VAL 125 N 2.42 1.03 0.00 2.63 0.31 -1.26 -2.78 118.33 120.67 3kir n VAL 125 Ca -0.18 -4.30 0.00 0.00 -0.01 0.00 0.00 64.34 59.85 3kir n VAL 125 Cb 0.53 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 3kir n VAL 125 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3kir n PRO 126 N -0.01 0.00 -2.13 5.55 -0.04 -1.26 -4.70 135.00 132.42 3kir n PRO 126 Ca 0.23 0.55 -0.28 0.00 -0.04 0.00 0.00 63.50 63.96 3kir n PRO 126 Cb 0.67 -1.34 0.14 0.00 -0.04 0.00 0.00 33.50 32.93 3kir n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kir s GLU 127 N -2.36 1.24 0.00 0.54 0.41 -1.26 -4.97 118.70 112.30 3kir s GLU 127 Ca 0.00 -0.52 0.27 0.00 -0.41 0.00 0.00 54.97 54.30 3kir s GLU 127 Cb 0.00 -2.02 0.80 0.00 -1.78 0.00 0.00 34.13 31.12 3kir s GLU 127 CO 0.00 -1.93 1.61 -0.35 -0.49 0.00 0.00 175.26 174.10 3kir n PRO 128 N -3.37 0.09 -0.08 0.39 -0.04 -1.26 -3.70 135.00 127.03 3kir n PRO 128 Ca 0.14 -0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 3kir n PRO 128 Cb 0.60 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.69 3kir n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kir n THR 129 N -1.42 1.77 -4.69 0.52 -2.24 -1.26 -0.29 114.28 106.68 3kir n THR 129 Ca 0.07 -2.12 -0.23 0.00 -2.27 0.00 0.00 64.05 59.50 3kir n THR 129 Cb 0.33 -0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.24 3kir n THR 129 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kir s ARG 130 N -2.67 1.24 -0.11 -0.78 0.52 -1.24 -1.68 118.95 114.23 3kir s ARG 130 Ca 0.29 -0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 54.87 3kir s ARG 130 Cb 0.25 -1.19 0.03 0.00 0.52 0.00 0.00 34.95 34.57 3kir s ARG 130 CO 0.03 0.30 0.29 0.08 0.02 0.00 0.00 175.30 176.02 3kir s VAL 131 N -0.29 -0.00 0.02 3.52 1.01 0.08 -4.08 120.40 120.66 3kir s VAL 131 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3kir s VAL 131 Cb -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 3kir s VAL 131 CO -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 175.10 175.06 3kir s ARG 132 N 0.20 0.32 -0.19 2.72 1.70 -1.12 0.28 118.95 122.87 3kir s ARG 132 Ca -0.00 -0.56 -0.06 0.00 -0.47 0.00 0.00 55.73 54.63 3kir s ARG 132 Cb -0.02 0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.35 3kir s ARG 132 CO -0.00 -0.03 0.03 0.08 -1.08 0.00 0.00 175.30 174.31 3kir s VAL 133 N -1.28 4.40 -0.23 4.99 1.01 -0.24 -1.53 120.40 127.53 3kir s VAL 133 Ca -0.13 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 3kir s VAL 133 Cb -0.09 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3kir s VAL 133 CO -0.01 0.44 0.11 -0.44 0.00 0.00 0.00 175.10 175.21 3kir s SER 134 N 0.68 5.72 0.01 3.32 0.01 0.75 -3.85 113.70 120.34 3kir s SER 134 Ca 0.02 0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.09 3kir s SER 134 Cb -0.14 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 64.11 3kir s SER 134 CO 0.02 0.06 0.45 -0.83 0.41 0.00 0.00 173.24 173.35 3kir s GLY 135 N 1.07 -0.32 0.23 3.44 0.00 -1.26 -0.76 107.32 109.72 3kir s GLY 135 Ca 0.06 0.55 0.24 0.00 0.00 0.00 0.00 44.72 45.56 3kir s GLY 135 CO 0.04 0.28 1.34 -2.22 0.00 0.00 0.00 173.10 172.54 3kir h ILE 136 N 3.24 0.00 0.00 0.90 5.03 -1.83 -2.47 117.51 122.37 3kir h ILE 136 Ca -0.30 -0.78 0.00 0.00 -0.12 0.00 0.00 64.86 63.67 3kir h ILE 136 Cb 1.18 1.47 0.00 0.00 -3.03 0.00 0.00 36.82 36.44 3kir h ILE 136 CO 0.41 0.00 0.00 -0.67 -0.68 0.00 0.00 178.15 177.21 3kir n ASP 137 N -2.54 0.00 0.00 1.72 -0.08 -1.26 -4.47 116.55 109.91 3kir n ASP 137 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 3kir n ASP 137 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 3kir n ASP 137 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3kir n LYS 138 N 0.00 0.00 -0.16 -0.67 4.81 -1.26 -4.82 118.16 116.06 3kir n LYS 138 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 3kir n LYS 138 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 3kir n LYS 138 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3kir h GLN 139 N 0.00 0.43 0.00 1.64 5.75 -2.00 0.41 115.11 121.34 3kir h GLN 139 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3kir h GLN 139 Cb 0.00 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.45 3kir h GLN 139 CO 0.00 0.28 0.00 1.63 -2.65 0.00 0.00 178.83 178.09 3kir n LYS 140 N -4.93 0.02 -0.05 1.69 5.02 -1.26 -2.90 118.16 115.75 3kir n LYS 140 Ca 0.04 0.14 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 3kir n LYS 140 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 3kir n LYS 140 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kir h VAL 141 N 0.00 0.00 -1.14 -0.18 2.07 -0.73 -3.21 116.25 113.06 3kir h VAL 141 Ca 0.00 -0.71 0.34 0.00 0.82 0.00 0.00 66.70 67.16 3kir h VAL 141 Cb 0.34 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.00 3kir h VAL 141 CO 0.00 0.00 0.71 1.23 0.02 0.00 0.00 177.57 179.53 3kir h GLY 142 N -0.71 1.44 0.52 2.17 0.00 -0.59 0.52 103.07 106.43 3kir h GLY 142 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3kir h GLY 142 CO 0.00 -0.31 -0.25 1.46 0.00 0.00 0.00 176.54 177.43 3kir h GLN 143 N 0.26 -0.68 0.00 4.80 1.08 -1.70 -1.75 115.11 117.13 3kir h GLN 143 Ca 0.71 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.95 3kir h GLN 143 Cb 1.94 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 29.52 3kir h GLN 143 CO -0.41 -0.45 -0.04 0.28 -0.95 0.00 0.00 178.83 177.26 3kir h VAL 144 N -0.85 1.01 0.40 -0.54 2.07 -1.29 0.83 116.25 117.88 3kir h VAL 144 Ca -0.07 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3kir h VAL 144 Cb 0.54 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3kir h VAL 144 CO 0.12 0.04 -0.27 0.00 0.02 0.00 0.00 177.57 177.47 3kir h ALA 145 N 1.96 -1.08 -0.77 1.67 0.00 0.05 -0.71 119.26 120.38 3kir h ALA 145 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3kir h ALA 145 Cb 0.07 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kir h ALA 145 CO 0.01 -1.06 0.33 0.00 0.00 0.00 0.00 179.25 178.53 3kir h ALA 146 N -1.45 1.14 -0.84 0.00 0.00 -0.96 -2.05 119.26 115.10 3kir h ALA 146 Ca -0.05 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.86 3kir h ALA 146 Cb 0.52 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3kir h ALA 146 CO 0.04 0.63 0.56 -0.91 0.00 0.00 0.00 179.25 179.56 3kir h ASN 147 N 1.10 0.39 -0.00 0.00 -0.26 0.83 0.01 115.58 117.65 3kir h ASN 147 Ca 0.26 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 56.01 3kir h ASN 147 Cb 0.16 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 3kir h ASN 147 CO -0.03 0.18 -0.10 0.40 -1.06 0.00 0.00 177.43 176.82 3kir h ILE 148 N 0.40 1.60 -0.27 2.81 1.08 -0.44 -3.24 117.51 119.45 3kir h ILE 148 Ca 0.42 -1.90 0.08 0.00 -0.39 0.00 0.00 64.86 63.08 3kir h ILE 148 Cb 1.04 2.85 -0.01 0.00 -3.07 0.00 0.00 36.82 37.63 3kir h ILE 148 CO -0.15 0.50 0.37 -0.09 -0.69 0.00 0.00 178.15 178.09 3kir h ARG 149 N -0.68 0.00 -0.13 2.37 2.43 -0.68 -0.59 114.38 117.11 3kir h ARG 149 Ca -0.01 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3kir h ARG 149 Cb 0.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3kir h ARG 149 CO 0.02 0.00 -0.50 0.00 -1.51 0.00 0.00 179.97 177.98 3kir h ALA 150 N 1.52 0.90 -1.24 2.80 0.00 -1.09 -2.64 119.26 119.51 3kir h ALA 150 Ca 0.13 -0.48 0.36 0.00 0.00 0.00 0.00 54.91 54.92 3kir h ALA 150 Cb 0.86 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3kir h ALA 150 CO -0.00 0.67 0.85 0.82 0.00 0.00 0.00 179.25 181.58 3kir h ILE 151 N 0.28 0.35 -0.75 0.00 1.08 -1.22 -3.32 117.51 113.93 3kir h ILE 151 Ca 0.01 -0.05 -0.10 0.00 -0.39 0.00 0.00 64.86 64.33 3kir h ILE 151 Cb 0.98 0.20 -0.16 0.00 -3.07 0.00 0.00 36.82 34.77 3kir h ILE 151 CO 0.08 0.03 -0.39 -1.14 -0.69 0.00 0.00 178.15 176.04 3kir n ARG 152 N -4.40 0.42 -0.62 2.37 3.00 -1.17 -5.04 116.66 111.23 3kir n ARG 152 Ca 0.29 -1.68 -0.31 0.00 -0.00 0.00 0.00 57.85 56.16 3kir n ARG 152 Cb 1.24 -1.01 0.20 0.00 0.00 0.00 0.00 32.46 32.88 3kir n ARG 152 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3kir n LYS 153 N 2.82 -1.53 0.00 -0.14 0.00 -1.01 -1.67 118.16 116.63 3kir n LYS 153 Ca 0.16 -0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 3kir n LYS 153 Cb 0.59 -2.02 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 3kir n LYS 153 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kir n PRO 154 N -3.48 0.00 0.00 -1.58 -0.04 -1.26 -4.45 135.00 124.19 3kir n PRO 154 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3kir n PRO 154 Cb 0.56 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 3kir n PRO 154 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3kir n SER 155 N -0.03 0.00 -1.25 3.54 7.64 -1.26 -4.77 113.62 117.49 3kir n SER 155 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 3kir n SER 155 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 3kir n SER 155 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kir n ALA 156 N 0.00 0.18 -1.37 -0.43 0.00 -1.26 -2.72 120.51 114.90 3kir n ALA 156 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3kir n ALA 156 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3kir n ALA 156 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kir n TYR 157 N 1.43 0.00 -1.50 0.00 9.36 -1.26 -4.28 117.16 120.90 3kir n TYR 157 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3kir n TYR 157 Cb 0.14 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 3kir n TYR 157 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3kir n HIS 158 N -0.31 -4.11 0.00 2.98 8.25 -1.10 -5.04 115.22 115.88 3kir n HIS 158 Ca 0.00 2.23 0.00 0.00 -0.26 0.00 0.00 57.72 59.69 3kir n HIS 158 Cb 0.00 -3.47 0.00 0.00 1.12 0.00 0.00 29.99 27.64 3kir n HIS 158 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3kir n GLU 159 N -2.43 0.00 -0.61 -0.41 4.07 -1.26 -5.05 120.64 114.94 3kir n GLU 159 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 3kir n GLU 159 Cb 0.43 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.80 3kir n GLU 159 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3kir n LYS 160 N 0.00 0.00 0.00 5.31 5.02 -1.26 -4.72 118.16 122.51 3kir n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kir n LYS 160 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3kir n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kir n GLY 161 N 1.11 3.38 3.46 0.72 0.00 -0.93 -4.35 105.19 108.58 3kir n GLY 161 Ca 0.05 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 3kir n GLY 161 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kir s ILE 162 N -2.36 5.12 0.52 -0.61 -4.36 -0.67 -1.37 121.20 117.47 3kir s ILE 162 Ca 0.00 -0.52 0.01 0.00 -0.26 0.00 0.00 60.65 59.88 3kir s ILE 162 Cb 0.00 -4.05 0.02 0.00 1.25 0.00 0.00 42.46 39.68 3kir s ILE 162 CO 0.00 -0.45 0.75 -0.31 0.24 0.00 0.00 174.94 175.16 3kir s TYR 163 N 2.02 2.97 0.00 1.37 1.51 -0.68 -4.71 117.35 119.83 3kir s TYR 163 Ca 0.10 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 3kir s TYR 163 Cb -0.19 -2.63 0.00 0.00 -0.11 0.00 0.00 41.96 39.04 3kir s TYR 163 CO 0.12 -0.72 0.00 0.66 -1.11 0.00 0.00 175.55 174.49 3kir n TYR 164 N -2.27 0.00 -0.35 2.71 0.53 -1.26 -0.87 117.16 115.65 3kir n TYR 164 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.94 3kir n TYR 164 Cb 0.59 -0.05 0.00 0.00 -1.03 0.00 0.00 39.34 38.85 3kir n TYR 164 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kir n ALA 165 N -0.95 0.04 -2.05 -0.72 0.00 -1.26 -3.98 120.51 111.59 3kir n ALA 165 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3kir n ALA 165 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3kir n ALA 165 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kir s GLY 166 N 0.00 1.66 0.12 0.00 0.00 -1.26 -5.09 107.32 102.75 3kir s GLY 166 Ca 0.00 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 43.89 3kir s GLY 166 CO 0.00 -0.61 -0.16 -0.54 0.00 0.00 0.00 173.10 171.79 3kir s GLU 167 N -4.97 1.86 0.37 2.90 2.02 -1.26 -5.06 118.70 114.56 3kir s GLU 167 Ca 0.56 -1.16 -0.26 0.00 0.02 0.00 0.00 54.97 54.13 3kir s GLU 167 Cb -0.10 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 31.89 3kir s GLU 167 CO 0.43 0.48 1.11 -1.25 0.02 0.00 0.00 175.26 176.05 3kir s PRO 168 N -2.20 4.24 0.02 0.39 0.04 -1.26 -5.10 135.00 131.13 3kir s PRO 168 Ca 0.19 1.71 0.04 0.00 0.04 0.00 0.00 61.00 62.98 3kir s PRO 168 Cb -0.11 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 3kir s PRO 168 CO 0.11 -0.12 -0.08 0.54 0.04 0.00 0.00 177.00 177.50 3kir s VAL 169 N -1.44 3.57 -1.18 -0.36 0.11 -1.26 -5.16 120.40 114.68 3kir s VAL 169 Ca 0.54 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 3kir s VAL 169 Cb -0.28 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 3kir s VAL 169 CO 0.35 0.35 0.30 -2.11 -3.33 0.00 0.00 175.10 170.66