#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s LYS 13 N 0.00 3.89 0.00 -0.52 2.36 -1.26 -4.06 119.74 120.14 3f1h s LYS 13 Ca 0.00 0.38 0.00 0.00 -2.55 0.00 0.00 55.97 53.80 3f1h s LYS 13 Cb 0.00 -3.21 0.00 0.00 -1.05 0.00 0.00 37.83 33.57 3f1h s LYS 13 CO 0.00 0.69 0.00 0.41 1.55 0.00 0.00 175.35 178.00 3f1h n GLY 14 N 1.79 0.11 3.87 5.54 0.00 -1.26 -4.95 105.19 110.30 3f1h n GLY 14 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3f1h n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f1h s VAL 15 N -1.28 4.72 -0.44 1.61 -7.23 -1.26 -4.63 120.40 111.89 3f1h s VAL 15 Ca 0.00 0.80 0.04 0.00 -1.81 0.00 0.00 61.98 61.00 3f1h s VAL 15 Cb 0.00 -3.84 0.16 0.00 0.56 0.00 0.00 36.38 33.26 3f1h s VAL 15 CO 0.00 -1.00 0.34 -0.44 -0.31 0.00 0.00 175.10 173.69 3f1h s SER 16 N -3.96 2.13 0.78 4.85 0.01 0.08 -4.93 113.70 112.66 3f1h s SER 16 Ca 0.54 -3.06 -0.11 0.00 1.31 0.00 0.00 55.95 54.63 3f1h s SER 16 Cb -0.11 -0.62 0.06 0.00 0.21 0.00 0.00 66.02 65.57 3f1h s SER 16 CO 0.48 -0.18 1.09 -0.69 0.41 0.00 0.00 173.24 174.35 3f1h s VAL 17 N -0.02 3.24 0.39 3.43 1.01 -1.26 -1.18 120.40 126.02 3f1h s VAL 17 Ca 0.30 0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.53 3f1h s VAL 17 Cb -0.01 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.29 3f1h s VAL 17 CO -0.16 -0.53 0.79 -1.61 0.00 0.00 0.00 175.10 173.59 3f1h s GLU 18 N -5.12 2.27 -0.01 2.72 2.02 -0.79 -4.92 118.70 114.88 3f1h s GLU 18 Ca 0.60 -1.49 -0.06 0.00 0.02 0.00 0.00 54.97 54.05 3f1h s GLU 18 Cb -0.15 0.63 0.00 0.00 0.10 0.00 0.00 34.13 34.71 3f1h s GLU 18 CO 0.54 -1.06 0.12 0.08 0.02 0.00 0.00 175.26 174.96 3f1h s VAL 19 N -2.18 0.07 0.09 2.63 1.01 -1.26 -3.54 120.40 117.21 3f1h s VAL 19 Ca 0.16 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3f1h s VAL 19 Cb -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3f1h s VAL 19 CO 0.12 -0.30 0.09 0.00 0.00 0.00 0.00 175.10 175.01 3f1h n ALA 20 N 1.85 0.12 0.12 5.51 0.00 -1.08 -4.96 120.51 122.07 3f1h n ALA 20 Ca -0.20 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.64 3f1h n ALA 20 Cb 0.56 0.39 -0.07 0.00 0.00 0.00 0.00 19.45 20.34 3f1h n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3f1h h PRO 21 N 0.00 -0.54 0.00 0.00 0.11 -2.01 -3.39 132.00 126.17 3f1h h PRO 21 Ca -0.06 0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 3f1h h PRO 21 Cb 0.31 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3f1h h PRO 21 CO 0.09 -0.36 -1.65 0.41 -0.21 0.00 0.00 178.00 176.28 3f1h n GLY 22 N -1.34 -0.52 0.86 -0.55 0.00 -1.26 -4.89 105.19 97.49 3f1h n GLY 22 Ca -0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 3f1h n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f1h n ARG 23 N -2.22 1.19 -3.72 1.61 0.00 -1.26 -1.65 116.66 110.61 3f1h n ARG 23 Ca -0.12 -0.75 -0.13 0.00 -0.00 0.00 0.00 57.85 56.85 3f1h n ARG 23 Cb 0.66 0.04 -0.10 0.00 -0.00 0.00 0.00 32.46 33.06 3f1h n ARG 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3f1h s VAL 24 N -0.37 -0.00 0.15 8.89 1.01 -1.18 -2.62 120.40 126.27 3f1h s VAL 24 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 3f1h s VAL 24 Cb -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3f1h s VAL 24 CO 0.06 0.00 0.33 -0.54 0.00 0.00 0.00 175.10 174.95 3f1h s LYS 25 N 0.33 3.51 -0.24 2.72 1.02 -1.23 -1.54 119.74 124.31 3f1h s LYS 25 Ca -0.01 -0.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.61 3f1h s LYS 25 Cb -0.03 -2.91 0.10 0.00 -0.52 0.00 0.00 37.83 34.47 3f1h s LYS 25 CO -0.01 0.48 0.20 0.08 -0.92 0.00 0.00 175.35 175.19 3f1h s VAL 26 N -1.71 -0.25 0.11 3.17 1.01 -1.22 -1.88 120.40 119.63 3f1h s VAL 26 Ca 0.38 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3f1h s VAL 26 Cb -0.12 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3f1h s VAL 26 CO 0.28 -0.40 0.30 -0.54 0.00 0.00 0.00 175.10 174.74 3f1h s LYS 27 N 2.25 3.53 0.21 2.72 1.02 -0.32 -3.04 119.74 126.11 3f1h s LYS 27 Ca 0.07 -0.26 -0.20 0.00 0.02 0.00 0.00 55.97 55.59 3f1h s LYS 27 Cb -0.15 -2.94 0.07 0.00 -0.52 0.00 0.00 37.83 34.29 3f1h s LYS 27 CO -0.22 0.53 0.99 0.41 -0.92 0.00 0.00 175.35 176.14 3f1h n GLY 28 N 0.16 0.65 0.39 -3.33 0.00 -1.04 -0.74 105.19 101.28 3f1h n GLY 28 Ca -0.04 -1.16 0.17 0.00 0.00 0.00 0.00 46.02 44.99 3f1h n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3f1h h PRO 29 N 0.00 0.47 -0.09 1.61 0.11 -1.83 -2.04 132.00 130.23 3f1h h PRO 29 Ca -0.28 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.67 3f1h h PRO 29 Cb 1.19 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3f1h h PRO 29 CO 0.37 0.31 -0.46 0.87 -0.21 0.00 0.00 178.00 178.88 3f1h h LYS 30 N 0.48 0.47 0.00 1.05 1.79 -1.91 -3.50 116.57 114.96 3f1h h LYS 30 Ca 0.46 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3f1h h LYS 30 Cb 1.04 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3f1h h LYS 30 CO -0.19 1.02 0.00 0.41 -1.08 0.00 0.00 179.45 179.61 3f1h n GLY 31 N 0.71 -1.36 0.00 3.86 0.00 -0.77 -5.09 105.19 102.54 3f1h n GLY 31 Ca -0.08 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3f1h n GLY 31 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3f1h n GLU 32 N 0.00 0.00 -3.75 1.61 2.13 -1.26 -2.50 120.64 116.87 3f1h n GLU 32 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3f1h n GLU 32 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 3f1h n GLU 32 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3f1h s LEU 33 N 0.00 0.73 0.26 4.31 1.43 -1.17 -5.03 118.68 119.22 3f1h s LEU 33 Ca 0.00 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.26 3f1h s LEU 33 Cb 0.00 1.24 -0.09 0.00 0.03 0.00 0.00 46.19 47.37 3f1h s LEU 33 CO 0.00 -0.26 1.11 -1.61 0.23 0.00 0.00 176.35 175.82 3f1h s GLU 34 N -0.45 4.62 -0.43 1.70 0.41 -1.26 -3.43 118.70 119.85 3f1h s GLU 34 Ca -0.06 1.81 0.09 0.00 -0.41 0.00 0.00 54.97 56.41 3f1h s GLU 34 Cb -0.04 -3.20 0.30 0.00 -1.78 0.00 0.00 34.13 29.42 3f1h s GLU 34 CO 0.02 0.17 0.69 0.28 -0.49 0.00 0.00 175.26 175.93 3f1h n VAL 35 N 1.39 0.29 -1.63 2.63 0.31 -0.59 -5.00 118.33 115.73 3f1h n VAL 35 Ca -0.00 -4.57 -0.57 0.00 -0.01 0.00 0.00 64.34 59.19 3f1h n VAL 35 Cb 0.45 -1.16 -0.07 0.00 -0.91 0.00 0.00 33.84 32.15 3f1h n VAL 35 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3f1h n PRO 36 N 0.66 0.85 -4.23 5.55 -0.04 -1.26 -3.09 135.00 133.44 3f1h n PRO 36 Ca 0.25 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.89 3f1h n PRO 36 Cb 0.56 -1.93 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 3f1h n PRO 36 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3f1h s VAL 37 N 1.62 0.16 0.16 0.52 -7.23 -0.66 -4.95 120.40 110.02 3f1h s VAL 37 Ca 0.92 -1.99 -0.32 0.00 -1.81 0.00 0.00 61.98 58.78 3f1h s VAL 37 Cb -1.10 -2.49 -0.17 0.00 0.56 0.00 0.00 36.38 33.18 3f1h s VAL 37 CO 0.58 -0.05 0.89 -1.20 -0.31 0.00 0.00 175.10 175.01 3f1h n SER 38 N -0.30 0.08 -0.03 4.85 7.64 -1.26 -4.52 113.62 120.08 3f1h n SER 38 Ca 0.01 1.15 -0.15 0.00 1.01 0.00 0.00 58.87 60.88 3f1h n SER 38 Cb 0.66 -1.06 -0.12 0.00 -1.01 0.00 0.00 64.21 62.67 3f1h n SER 38 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3f1h h PRO 39 N 2.27 0.12 -1.92 1.43 0.11 -1.90 -3.30 132.00 128.80 3f1h h PRO 39 Ca -0.39 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 3f1h h PRO 39 Cb 1.40 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.52 3f1h h PRO 39 CO 0.63 0.98 0.02 -0.85 -0.21 0.00 0.00 178.00 178.57 3f1h n GLU 40 N -4.50 1.32 -4.13 1.05 0.28 -1.26 -4.82 120.64 108.58 3f1h n GLU 40 Ca -0.10 -0.48 -0.15 0.00 -0.16 0.00 0.00 57.16 56.27 3f1h n GLU 40 Cb 0.53 -1.29 -0.11 0.00 1.43 0.00 0.00 31.44 32.00 3f1h n GLU 40 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 3f1h s MET 41 N -0.20 0.70 -0.14 3.44 -1.94 -1.25 -4.40 119.30 115.51 3f1h s MET 41 Ca 0.17 -0.94 -0.20 0.00 -1.71 0.00 0.00 55.69 53.01 3f1h s MET 41 Cb 0.10 -0.50 -0.04 0.00 2.01 0.00 0.00 34.83 36.41 3f1h s MET 41 CO -0.01 0.09 0.55 1.03 -0.01 0.00 0.00 175.02 176.67 3f1h s ARG 42 N -2.05 4.30 -0.61 2.03 1.81 -0.72 -4.92 118.95 118.79 3f1h s ARG 42 Ca -0.03 0.54 -0.02 0.00 -1.72 0.00 0.00 55.73 54.51 3f1h s ARG 42 Cb -0.07 -3.49 0.43 0.00 -0.45 0.00 0.00 34.95 31.36 3f1h s ARG 42 CO 0.01 0.00 2.03 1.33 -0.68 0.00 0.00 175.30 177.98 3f1h n VAL 43 N 4.07 3.48 -1.38 3.52 0.24 -1.26 -2.60 118.33 124.40 3f1h n VAL 43 Ca -0.05 -2.68 -0.58 0.00 -2.04 0.00 0.00 64.34 58.99 3f1h n VAL 43 Cb 0.51 -1.15 -0.10 0.00 -1.47 0.00 0.00 33.84 31.63 3f1h n VAL 43 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3f1h n VAL 44 N -0.75 0.07 -3.55 3.34 0.31 -1.09 -4.72 118.33 111.95 3f1h n VAL 44 Ca 0.58 -0.07 -0.37 0.00 -0.01 0.00 0.00 64.34 64.47 3f1h n VAL 44 Cb 0.70 -0.84 -0.08 0.00 -0.91 0.00 0.00 33.84 32.71 3f1h n VAL 44 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3f1h s VAL 45 N 5.89 5.30 0.10 2.52 1.01 -1.26 -0.49 120.40 133.47 3f1h s VAL 45 Ca 1.14 0.47 0.01 0.00 0.00 0.00 0.00 61.98 63.61 3f1h s VAL 45 Cb -1.31 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 31.47 3f1h s VAL 45 CO 0.63 0.35 0.07 -0.62 0.00 0.00 0.00 175.10 175.53 3f1h n GLU 46 N 3.91 1.38 0.00 2.72 -0.58 0.35 -5.00 120.64 123.43 3f1h n GLU 46 Ca -0.12 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.01 3f1h n GLU 46 Cb 0.52 0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.46 3f1h n GLU 46 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3f1h n GLU 47 N -0.69 0.00 -0.63 3.49 -0.00 -1.26 -3.99 120.64 117.55 3f1h n GLU 47 Ca -0.01 0.02 0.07 0.00 -0.00 0.00 0.00 57.16 57.24 3f1h n GLU 47 Cb 0.11 -0.56 0.32 0.00 -0.00 0.00 0.00 31.44 31.31 3f1h n GLU 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3f1h n GLY 48 N -0.08 2.50 3.35 -1.84 0.00 -1.26 -4.95 105.19 102.91 3f1h n GLY 48 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 3f1h n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f1h s VAL 49 N -2.14 0.05 0.00 1.61 -7.23 -1.26 -4.59 120.40 106.85 3f1h s VAL 49 Ca 0.43 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3f1h s VAL 49 Cb 0.31 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 35.24 3f1h s VAL 49 CO 0.16 -0.22 0.00 0.52 -0.31 0.00 0.00 175.10 175.26 3f1h n VAL 50 N -0.24 0.00 0.00 1.32 0.31 -1.26 -0.50 118.33 117.96 3f1h n VAL 50 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3f1h n VAL 50 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 3f1h n VAL 50 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3f1h n ARG 51 N 0.00 -0.87 -3.71 5.55 0.63 0.36 -4.46 116.66 114.15 3f1h n ARG 51 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 3f1h n ARG 51 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 3f1h n ARG 51 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3f1h s VAL 52 N -2.00 -0.00 -0.03 5.15 1.01 -1.24 -2.66 120.40 120.63 3f1h s VAL 52 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3f1h s VAL 52 Cb 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3f1h s VAL 52 CO 0.00 0.01 -0.01 -1.61 0.00 0.00 0.00 175.10 173.49 3f1h s GLU 53 N 0.48 0.34 -0.01 2.72 2.02 -1.07 -4.92 118.70 118.26 3f1h s GLU 53 Ca -0.02 0.04 -0.13 0.00 0.02 0.00 0.00 54.97 54.88 3f1h s GLU 53 Cb -0.04 -0.48 -0.05 0.00 0.10 0.00 0.00 34.13 33.65 3f1h s GLU 53 CO -0.02 -0.11 0.36 -0.98 0.02 0.00 0.00 175.26 174.53 3f1h s ARG 54 N 0.87 3.82 0.00 1.61 1.70 -1.26 -1.75 118.95 123.94 3f1h s ARG 54 Ca -0.09 0.30 0.07 0.00 -0.47 0.00 0.00 55.73 55.54 3f1h s ARG 54 Cb -0.12 -3.19 0.38 0.00 -0.57 0.00 0.00 34.95 31.45 3f1h s ARG 54 CO -0.01 0.69 1.07 -0.35 -1.08 0.00 0.00 175.30 175.62 3f1h n PRO 55 N 1.75 0.12 0.00 3.89 -0.04 -1.26 -4.87 135.00 134.58 3f1h n PRO 55 Ca -0.14 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3f1h n PRO 55 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3f1h n PRO 55 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3f1h n SER 56 N -1.25 0.00 -1.20 3.54 3.41 -1.26 -5.05 113.62 111.81 3f1h n SER 56 Ca 0.04 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.67 3f1h n SER 56 Cb 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 3f1h n SER 56 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3f1h n ASP 57 N 0.00 0.58 -4.83 4.04 -0.08 -1.26 -4.88 116.55 110.11 3f1h n ASP 57 Ca 0.00 -1.97 -0.32 0.00 -1.51 0.00 0.00 54.79 50.99 3f1h n ASP 57 Cb 0.00 -0.22 0.01 0.00 2.34 0.00 0.00 41.12 43.25 3f1h n ASP 57 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3f1h s GLU 58 N 0.00 3.43 0.30 -0.67 2.02 -1.26 -4.86 118.70 117.66 3f1h s GLU 58 Ca 0.22 0.95 0.02 0.00 0.02 0.00 0.00 54.97 56.19 3f1h s GLU 58 Cb 0.26 -2.06 0.57 0.00 0.10 0.00 0.00 34.13 33.00 3f1h s GLU 58 CO -0.11 -0.70 1.87 -0.09 0.02 0.00 0.00 175.26 176.25 3f1h h ARG 59 N 0.02 0.95 -0.08 1.61 9.65 -2.00 0.23 114.38 124.76 3f1h h ARG 59 Ca -0.45 -0.06 -0.17 0.00 -1.10 0.00 0.00 59.98 58.20 3f1h h ARG 59 Cb 1.20 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 3f1h h ARG 59 CO 0.59 0.63 -0.68 0.00 2.80 0.00 0.00 179.97 183.32 3f1h h ARG 60 N 0.98 0.33 -0.08 0.20 3.08 -2.02 -3.27 114.38 113.60 3f1h h ARG 60 Ca 0.45 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3f1h h ARG 60 Cb 0.40 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3f1h h ARG 60 CO -0.21 0.88 -0.13 0.45 -1.07 0.00 0.00 179.97 179.90 3f1h h HIS 61 N 0.23 0.28 -0.37 3.04 3.86 -1.67 -3.24 115.15 117.29 3f1h h HIS 61 Ca -0.02 -0.10 0.08 0.00 -1.16 0.00 0.00 60.37 59.17 3f1h h HIS 61 Cb 1.22 -0.05 -0.09 0.00 1.06 0.00 0.00 27.41 29.55 3f1h h HIS 61 CO 0.03 0.72 -0.24 0.87 0.86 0.00 0.00 177.93 180.17 3f1h h LYS 62 N -0.23 -0.18 -1.01 2.45 1.57 -1.06 -1.27 116.57 116.84 3f1h h LYS 62 Ca 0.01 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 3f1h h LYS 62 Cb 0.69 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 3f1h h LYS 62 CO 0.03 -0.12 0.64 0.77 -0.57 0.00 0.00 179.45 180.20 3f1h h SER 63 N -0.18 0.98 0.60 0.86 0.02 -1.64 -1.51 113.55 112.67 3f1h h SER 63 Ca 0.18 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 3f1h h SER 63 Cb 0.47 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3f1h h SER 63 CO -0.48 0.56 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.07 3f1h h LEU 64 N 1.07 0.04 0.10 5.07 3.38 -1.29 -3.21 115.31 120.47 3f1h h LEU 64 Ca 0.47 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 3f1h h LEU 64 Cb 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3f1h h LEU 64 CO -0.23 0.66 -0.05 -0.74 0.09 0.00 0.00 178.44 178.18 3f1h h HIS 65 N 0.02 -0.12 -1.04 1.13 2.76 -0.32 -3.02 115.15 114.57 3f1h h HIS 65 Ca -0.01 -0.00 0.27 0.00 -2.20 0.00 0.00 60.37 58.43 3f1h h HIS 65 Cb 1.12 0.04 -0.11 0.00 1.55 0.00 0.00 27.41 30.02 3f1h h HIS 65 CO 0.00 -0.07 0.65 0.78 -1.30 0.00 0.00 177.93 177.99 3f1h h GLY 66 N -0.13 1.48 0.69 5.26 0.00 -1.64 -1.00 103.07 107.72 3f1h h GLY 66 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3f1h h GLY 66 CO 0.02 -0.19 -0.47 -2.00 0.00 0.00 0.00 176.54 173.91 3f1h h LEU 67 N 0.45 -1.20 -1.91 3.11 5.85 -1.55 -0.06 115.31 120.00 3f1h h LEU 67 Ca 0.62 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.50 3f1h h LEU 67 Cb 1.45 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 3f1h h LEU 67 CO -0.37 -0.69 0.26 0.71 -0.34 0.00 0.00 178.44 178.01 3f1h h THR 68 N -1.09 0.87 0.33 1.05 1.35 -1.17 0.70 112.91 114.94 3f1h h THR 68 Ca -0.09 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.72 3f1h h THR 68 Cb 0.89 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3f1h h THR 68 CO 0.06 0.02 -0.21 -0.09 -0.25 0.00 0.00 175.52 175.05 3f1h h ARG 69 N 0.10 -0.49 0.28 4.72 2.43 -0.50 -2.58 114.38 118.34 3f1h h ARG 69 Ca 0.17 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3f1h h ARG 69 Cb 0.55 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3f1h h ARG 69 CO -0.02 -0.33 -0.13 1.15 -1.51 0.00 0.00 179.97 179.13 3f1h h THR 70 N -0.51 0.75 -0.80 0.20 2.02 -0.55 -2.95 112.91 111.08 3f1h h THR 70 Ca -0.04 -0.18 0.17 0.00 0.77 0.00 0.00 66.41 67.13 3f1h h THR 70 Cb 0.41 0.86 -0.15 0.00 -1.74 0.00 0.00 68.15 67.53 3f1h h THR 70 CO 0.04 0.04 -0.13 0.25 0.37 0.00 0.00 175.52 176.08 3f1h h LEU 71 N -0.46 -0.63 -0.35 2.58 5.85 0.36 0.41 115.31 123.08 3f1h h LEU 71 Ca -0.04 0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 3f1h h LEU 71 Cb 0.35 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3f1h h LEU 71 CO 0.06 -0.25 -0.18 0.40 -0.34 0.00 0.00 178.44 178.13 3f1h h ILE 72 N 0.02 1.29 -0.91 4.05 1.08 -1.50 -2.57 117.51 118.97 3f1h h ILE 72 Ca 0.40 -1.31 0.08 0.00 -0.39 0.00 0.00 64.86 63.65 3f1h h ILE 72 Cb 0.66 1.39 -0.06 0.00 -3.07 0.00 0.00 36.82 35.73 3f1h h ILE 72 CO -0.79 0.43 0.59 0.00 -0.69 0.00 0.00 178.15 177.69 3f1h h ALA 73 N 0.78 1.56 -0.06 1.87 0.00 -0.07 0.37 119.26 123.71 3f1h h ALA 73 Ca 0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3f1h h ALA 73 Cb 0.73 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3f1h h ALA 73 CO 0.05 0.27 -0.52 -0.91 0.00 0.00 0.00 179.25 178.15 3f1h h ASN 74 N 0.97 0.19 -0.24 0.00 2.35 -1.08 0.12 115.58 117.89 3f1h h ASN 74 Ca 0.41 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3f1h h ASN 74 Cb 0.31 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3f1h h ASN 74 CO -0.17 0.67 0.13 0.00 -1.65 0.00 0.00 177.43 176.41 3f1h h ALA 75 N 1.33 0.31 -0.36 -0.83 0.00 -0.01 0.42 119.26 120.13 3f1h h ALA 75 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3f1h h ALA 75 Cb 0.96 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3f1h h ALA 75 CO 0.08 -0.15 0.14 0.28 0.00 0.00 0.00 179.25 179.60 3f1h h VAL 76 N 0.28 1.20 -0.47 0.00 2.07 -0.39 -2.71 116.25 116.22 3f1h h VAL 76 Ca 0.09 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3f1h h VAL 76 Cb 0.08 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3f1h h VAL 76 CO -0.01 0.22 0.29 0.50 0.02 0.00 0.00 177.57 178.58 3f1h h LYS 77 N 0.44 0.63 -0.25 1.57 3.11 -0.45 -0.68 116.57 120.93 3f1h h LYS 77 Ca 0.12 -0.05 0.05 0.00 -2.81 0.00 0.00 60.65 57.96 3f1h h LYS 77 Cb 0.21 -0.14 -0.05 0.00 -1.00 0.00 0.00 32.23 31.25 3f1h h LYS 77 CO -0.01 0.44 -0.07 0.78 -2.81 0.00 0.00 179.45 177.78 3f1h h GLY 78 N 0.67 0.17 1.03 5.01 0.00 0.17 -1.33 103.07 108.80 3f1h h GLY 78 Ca 0.17 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3f1h h GLY 78 CO -0.03 -0.10 -0.19 3.33 0.00 0.00 0.00 176.54 179.55 3f1h n VAL 79 N -5.23 0.00 -0.03 4.60 0.24 -1.08 -1.65 118.33 115.18 3f1h n VAL 79 Ca -0.01 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.34 62.12 3f1h n VAL 79 Cb 0.15 -0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.41 3f1h n VAL 79 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3f1h h SER 80 N 0.43 0.20 0.00 -1.34 0.02 0.03 -3.29 113.55 109.59 3f1h h SER 80 Ca 0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3f1h h SER 80 Cb 0.43 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3f1h h SER 80 CO 0.00 0.56 0.00 -0.62 -1.14 0.00 0.00 176.83 175.63 3f1h n GLU 81 N -4.75 0.00 0.00 3.45 1.02 -0.97 -4.95 120.64 114.45 3f1h n GLU 81 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3f1h n GLU 81 Cb 0.26 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 3f1h n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f1h n GLY 82 N 0.75 2.29 3.95 0.62 0.00 -0.66 -5.02 105.19 107.12 3f1h n GLY 82 Ca 0.00 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 3f1h n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f1h s TYR 83 N -1.47 3.03 -0.07 1.61 1.51 0.90 -4.89 117.35 117.97 3f1h s TYR 83 Ca 0.00 0.21 -0.32 0.00 -1.01 0.00 0.00 57.07 55.96 3f1h s TYR 83 Cb 0.00 -2.68 0.12 0.00 -0.11 0.00 0.00 41.96 39.29 3f1h s TYR 83 CO 0.00 -0.79 1.17 -1.54 -1.11 0.00 0.00 175.55 173.28 3f1h s SER 84 N -4.36 -0.14 0.00 2.29 1.04 -1.25 -0.54 113.70 110.74 3f1h s SER 84 Ca 0.55 -0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.79 3f1h s SER 84 Cb -0.10 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.24 3f1h s SER 84 CO 0.40 -0.38 0.19 -0.54 0.98 0.00 0.00 173.24 173.90 3f1h s LYS 85 N -2.60 0.57 0.95 4.02 -0.14 -1.16 -4.89 119.74 116.49 3f1h s LYS 85 Ca 0.11 -0.38 -0.16 0.00 -1.36 0.00 0.00 55.97 54.18 3f1h s LYS 85 Cb 0.01 0.24 0.23 0.00 -1.68 0.00 0.00 37.83 36.63 3f1h s LYS 85 CO -0.04 -0.15 1.02 -0.85 -0.76 0.00 0.00 175.35 174.57 3f1h n GLU 86 N 1.27 -2.05 -3.17 1.68 0.00 -1.26 -1.60 120.64 115.52 3f1h n GLU 86 Ca -0.22 -1.60 0.05 0.00 0.00 0.00 0.00 57.16 55.39 3f1h n GLU 86 Cb 0.56 -1.29 -0.02 0.00 0.00 0.00 0.00 31.44 30.70 3f1h n GLU 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3f1h s LEU 87 N 0.00 -0.55 -0.19 -1.84 1.43 -0.42 -4.74 118.68 112.36 3f1h s LEU 87 Ca 0.62 0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 53.93 3f1h s LEU 87 Cb -0.04 1.47 -0.04 0.00 0.03 0.00 0.00 46.19 47.61 3f1h s LEU 87 CO 0.46 -0.10 0.42 -0.76 0.23 0.00 0.00 176.35 176.59 3f1h s LEU 88 N 2.89 4.16 -0.64 1.79 2.01 0.20 -1.90 118.68 127.20 3f1h s LEU 88 Ca 0.01 0.55 -0.14 0.00 0.01 0.00 0.00 54.13 54.57 3f1h s LEU 88 Cb -0.10 -2.55 0.16 0.00 0.01 0.00 0.00 46.19 43.71 3f1h s LEU 88 CO -0.12 -0.08 0.57 -0.63 1.01 0.00 0.00 176.35 177.10 3f1h s ILE 89 N 1.28 5.14 0.73 -0.59 1.01 -1.25 -0.50 121.20 127.02 3f1h s ILE 89 Ca 0.20 -1.97 -0.06 0.00 0.00 0.00 0.00 60.65 58.82 3f1h s ILE 89 Cb -0.15 -4.26 0.09 0.00 0.01 0.00 0.00 42.46 38.15 3f1h s ILE 89 CO 0.08 -0.92 1.03 -0.54 0.00 0.00 0.00 174.94 174.60 3f1h s LYS 90 N 0.96 1.94 0.00 2.79 -0.14 -1.13 -4.80 119.74 119.37 3f1h s LYS 90 Ca 0.09 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.26 3f1h s LYS 90 Cb -0.22 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.76 3f1h s LYS 90 CO -0.02 -1.38 0.00 0.41 -0.76 0.00 0.00 175.35 173.59 3f1h n GLY 91 N -2.97 0.08 0.00 -3.33 0.00 -1.24 -2.41 105.19 95.32 3f1h n GLY 91 Ca 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3f1h n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3f1h n ILE 92 N 0.67 0.00 0.21 -0.61 -0.00 -1.26 -3.49 119.36 114.87 3f1h n ILE 92 Ca 0.00 1.35 -0.15 0.00 -0.00 0.00 0.00 62.75 63.95 3f1h n ILE 92 Cb 0.00 -2.13 -0.08 0.00 -0.00 0.00 0.00 39.64 37.42 3f1h n ILE 92 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3f1h h GLY 93 N 0.00 -0.51 -3.95 7.39 0.00 -1.92 -3.45 103.07 100.63 3f1h h GLY 93 Ca 0.00 0.19 -0.51 0.00 0.00 0.00 0.00 47.33 47.01 3f1h h GLY 93 CO 0.00 -0.19 0.17 -1.72 0.00 0.00 0.00 176.54 174.80 3f1h n TYR 94 N -5.27 0.64 -3.65 5.60 4.02 -1.23 -4.83 117.16 112.44 3f1h n TYR 94 Ca -0.11 0.68 0.00 0.00 -0.01 0.00 0.00 57.90 58.47 3f1h n TYR 94 Cb 0.23 -1.33 -0.06 0.00 -0.02 0.00 0.00 39.34 38.16 3f1h n TYR 94 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 3f1h s ARG 95 N 0.64 0.14 0.46 -0.72 1.70 -0.99 -4.81 118.95 115.37 3f1h s ARG 95 Ca 0.60 0.23 -0.02 0.00 -0.47 0.00 0.00 55.73 56.07 3f1h s ARG 95 Cb -0.84 0.04 -0.01 0.00 -0.57 0.00 0.00 34.95 33.56 3f1h s ARG 95 CO 0.41 -0.03 0.71 0.00 -1.08 0.00 0.00 175.30 175.31 3f1h s ALA 96 N 0.95 3.59 -0.27 7.88 0.00 -0.90 -2.61 121.76 130.39 3f1h s ALA 96 Ca -0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 3f1h s ALA 96 Cb -0.03 -2.31 0.16 0.00 0.00 0.00 0.00 23.12 20.95 3f1h s ALA 96 CO -0.12 -0.39 0.50 0.50 0.00 0.00 0.00 175.76 176.26 3f1h s ARG 97 N -4.63 0.47 -0.60 0.00 3.52 0.18 -4.35 118.95 113.53 3f1h s ARG 97 Ca 0.48 0.79 -0.27 0.00 -0.13 0.00 0.00 55.73 56.60 3f1h s ARG 97 Cb -0.10 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.36 3f1h s ARG 97 CO 0.40 -0.63 1.68 -1.17 -0.81 0.00 0.00 175.30 174.78 3f1h s LEU 98 N 2.71 3.30 -0.38 -0.88 2.96 -1.26 -2.32 118.68 122.82 3f1h s LEU 98 Ca 0.17 0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 54.21 3f1h s LEU 98 Cb -0.15 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.84 3f1h s LEU 98 CO -0.19 -2.12 0.33 -0.69 -1.32 0.00 0.00 176.35 172.36 3f1h s VAL 99 N 7.83 5.21 0.00 1.68 1.01 -0.37 -4.95 120.40 130.81 3f1h s VAL 99 Ca 0.60 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3f1h s VAL 99 Cb -0.12 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3f1h s VAL 99 CO 0.21 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3f1h n GLY 100 N 5.08 3.09 0.15 4.51 0.00 -1.26 -2.07 105.19 114.69 3f1h n GLY 100 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3f1h n GLY 100 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3f1h h ARG 101 N 0.00 0.00 -6.29 1.61 -0.00 -1.98 -3.47 114.38 104.25 3f1h h ARG 101 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 59.98 59.44 3f1h h ARG 101 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.95 3f1h h ARG 101 CO 0.00 0.57 -0.27 0.00 -0.00 0.00 0.00 179.97 180.27 3f1h s ALA 102 N -3.53 3.76 -0.26 0.08 0.00 -0.88 -4.73 121.76 116.19 3f1h s ALA 102 Ca -0.01 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 3f1h s ALA 102 Cb 0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 3f1h s ALA 102 CO 0.74 0.43 0.33 -1.17 0.00 0.00 0.00 175.76 176.09 3f1h s LEU 103 N -3.25 4.05 -0.12 0.00 0.20 -0.95 -1.23 118.68 117.38 3f1h s LEU 103 Ca 0.41 0.24 -0.03 0.00 0.69 0.00 0.00 54.13 55.44 3f1h s LEU 103 Cb -0.11 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 3f1h s LEU 103 CO 0.28 -0.13 -0.01 -0.70 -0.29 0.00 0.00 176.35 175.50 3f1h s GLU 104 N 1.89 3.31 -0.08 1.98 -6.30 -0.98 0.17 118.70 118.69 3f1h s GLU 104 Ca 0.13 -0.45 -0.03 0.00 -2.50 0.00 0.00 54.97 52.13 3f1h s GLU 104 Cb -0.16 -2.87 0.04 0.00 0.00 0.00 0.00 34.13 31.15 3f1h s GLU 104 CO 0.10 0.50 0.16 -0.48 0.02 0.00 0.00 175.26 175.56 3f1h s LEU 105 N -0.33 0.34 0.57 2.70 0.05 -0.08 -0.65 118.68 121.29 3f1h s LEU 105 Ca 0.06 0.33 -0.08 0.00 0.05 0.00 0.00 54.13 54.50 3f1h s LEU 105 Cb -0.12 0.35 -0.02 0.00 -2.05 0.00 0.00 46.19 44.35 3f1h s LEU 105 CO 0.02 -0.19 0.92 0.42 -0.55 0.00 0.00 176.35 176.97 3f1h s THR 106 N 1.68 4.47 0.00 5.48 -4.23 -1.07 -3.18 115.64 118.79 3f1h s THR 106 Ca -0.04 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 3f1h s THR 106 Cb -0.12 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.97 3f1h s THR 106 CO -0.06 -0.87 0.00 1.33 -0.54 0.00 0.00 174.62 174.48 3f1h n VAL 107 N -2.57 0.00 0.00 2.29 0.24 -1.26 -2.36 118.33 114.68 3f1h n VAL 107 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3f1h n VAL 107 Cb 0.55 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3f1h n VAL 107 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f1h n GLY 108 N -1.18 0.00 3.76 7.63 0.00 -1.26 -3.87 105.19 110.27 3f1h n GLY 108 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3f1h n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f1h s PHE 109 N -0.03 3.15 0.29 1.61 0.40 -1.26 -4.91 117.98 117.22 3f1h s PHE 109 Ca 0.00 1.43 0.02 0.00 -0.60 0.00 0.00 56.93 57.77 3f1h s PHE 109 Cb 0.00 -3.62 0.57 0.00 0.51 0.00 0.00 43.02 40.48 3f1h s PHE 109 CO 0.00 -1.69 1.84 0.66 0.70 0.00 0.00 175.22 176.73 3f1h h SER 110 N 3.70 0.92 -3.36 1.36 4.64 -2.04 -3.36 113.55 115.40 3f1h h SER 110 Ca -0.48 0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 60.30 3f1h h SER 110 Cb 1.22 -0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 63.09 3f1h h SER 110 CO 0.67 0.48 0.27 -2.28 -0.87 0.00 0.00 176.83 175.10 3f1h s HIS 111 N -5.94 3.38 -0.18 4.77 5.65 -1.26 -5.04 115.29 116.66 3f1h s HIS 111 Ca -0.12 1.07 -0.29 0.00 0.25 0.00 0.00 55.06 55.97 3f1h s HIS 111 Cb 0.22 -2.91 -0.02 0.00 -1.18 0.00 0.00 32.58 28.68 3f1h s HIS 111 CO 0.81 -0.24 1.48 -1.25 -0.65 0.00 0.00 174.74 174.89 3f1h s PRO 112 N 2.15 4.01 0.28 2.88 0.04 -1.26 -4.96 135.00 138.14 3f1h s PRO 112 Ca 0.33 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 3f1h s PRO 112 Cb -0.16 -3.93 -0.10 0.00 0.04 0.00 0.00 34.50 30.35 3f1h s PRO 112 CO 0.11 -1.02 1.34 0.08 0.04 0.00 0.00 177.00 177.54 3f1h s VAL 113 N 4.39 2.82 -0.09 -0.36 1.01 -1.19 -4.85 120.40 122.12 3f1h s VAL 113 Ca 0.65 0.75 0.02 0.00 0.00 0.00 0.00 61.98 63.40 3f1h s VAL 113 Cb -0.24 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3f1h s VAL 113 CO 0.25 0.15 -0.16 -0.69 0.00 0.00 0.00 175.10 174.64 3f1h s VAL 114 N -0.57 2.80 -0.17 2.92 1.01 -1.26 -0.90 120.40 124.23 3f1h s VAL 114 Ca 0.53 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3f1h s VAL 114 Cb -0.39 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3f1h s VAL 114 CO 0.47 0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 175.41 3f1h s VAL 115 N -0.02 3.96 0.66 2.92 1.01 0.46 -4.96 120.40 124.43 3f1h s VAL 115 Ca -0.05 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 3f1h s VAL 115 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3f1h s VAL 115 CO 0.04 0.47 1.23 1.21 0.00 0.00 0.00 175.10 178.05 3f1h n GLU 116 N 3.74 0.98 -3.15 2.72 2.13 -1.26 -2.24 120.64 123.55 3f1h n GLU 116 Ca -0.17 0.39 -0.45 0.00 0.66 0.00 0.00 57.16 57.59 3f1h n GLU 116 Cb 0.52 -2.46 -0.04 0.00 0.27 0.00 0.00 31.44 29.73 3f1h n GLU 116 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3f1h s PRO 117 N -3.36 3.19 0.69 5.31 0.05 -1.26 -4.73 135.00 134.89 3f1h s PRO 117 Ca 0.81 -1.61 -0.15 0.00 0.05 0.00 0.00 61.00 60.09 3f1h s PRO 117 Cb -0.38 -4.37 0.02 0.00 0.05 0.00 0.00 34.50 29.82 3f1h s PRO 117 CO 0.42 -1.50 1.17 -1.25 0.05 0.00 0.00 177.00 175.89 3f1h s PRO 118 N 2.12 2.46 0.43 0.56 0.04 -1.26 -4.97 135.00 134.38 3f1h s PRO 118 Ca 0.14 1.61 -0.24 0.00 0.04 0.00 0.00 61.00 62.54 3f1h s PRO 118 Cb -0.21 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 3f1h s PRO 118 CO 0.02 -1.56 1.21 -2.00 0.04 0.00 0.00 177.00 174.71 3f1h s GLU 119 N -3.95 3.88 0.00 4.56 2.12 -1.26 -2.84 118.70 121.21 3f1h s GLU 119 Ca 0.71 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.96 3f1h s GLU 119 Cb -0.25 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.55 3f1h s GLU 119 CO 0.43 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 3f1h n GLY 120 N 0.59 1.74 3.24 -1.50 0.00 -1.26 -5.00 105.19 103.00 3f1h n GLY 120 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3f1h n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f1h s ILE 121 N -3.08 1.61 -0.19 -0.61 1.09 -1.13 -3.51 121.20 115.38 3f1h s ILE 121 Ca 0.00 -1.11 -0.04 0.00 -1.10 0.00 0.00 60.65 58.39 3f1h s ILE 121 Cb 0.00 -1.39 0.08 0.00 -1.06 0.00 0.00 42.46 40.08 3f1h s ILE 121 CO 0.00 0.24 0.16 -0.89 -0.10 0.00 0.00 174.94 174.35 3f1h s THR 122 N -0.73 -0.21 0.47 2.92 2.01 0.92 -4.59 115.64 116.44 3f1h s THR 122 Ca 0.07 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 3f1h s THR 122 Cb -0.08 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 3f1h s THR 122 CO 0.01 -0.26 0.72 0.72 -0.69 0.00 0.00 174.62 175.12 3f1h s PHE 123 N 2.23 3.28 -0.06 4.92 -0.12 -1.26 -0.99 117.98 125.97 3f1h s PHE 123 Ca 0.05 0.37 -0.17 0.00 -0.05 0.00 0.00 56.93 57.13 3f1h s PHE 123 Cb -0.16 -2.36 0.03 0.00 -0.63 0.00 0.00 43.02 39.90 3f1h s PHE 123 CO -0.12 -0.41 0.39 -2.00 -0.05 0.00 0.00 175.22 173.04 3f1h s GLU 124 N -4.64 0.66 -0.75 1.99 -6.30 -0.60 -4.94 118.70 104.12 3f1h s GLU 124 Ca 0.49 0.11 -0.07 0.00 -2.50 0.00 0.00 54.97 53.00 3f1h s GLU 124 Cb -0.10 0.30 0.19 0.00 0.00 0.00 0.00 34.13 34.53 3f1h s GLU 124 CO 0.40 -0.16 0.63 0.08 0.02 0.00 0.00 175.26 176.22 3f1h s VAL 125 N -0.82 4.52 -0.02 3.70 1.01 -1.26 -1.45 120.40 126.08 3f1h s VAL 125 Ca -0.09 -2.97 0.29 0.00 0.00 0.00 0.00 61.98 59.22 3f1h s VAL 125 Cb -0.04 -3.85 0.30 0.00 0.00 0.00 0.00 36.38 32.79 3f1h s VAL 125 CO 0.04 -0.97 1.89 1.55 0.00 0.00 0.00 175.10 177.60 3f1h h PRO 126 N 7.09 0.00 -1.40 2.72 0.13 -1.98 -3.43 132.00 135.13 3f1h h PRO 126 Ca 0.06 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.32 3f1h h PRO 126 Cb 0.96 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.84 3f1h h PRO 126 CO 0.76 0.00 0.67 -2.00 -0.23 0.00 0.00 178.00 177.20 3f1h s GLU 127 N -3.66 0.43 0.62 0.86 2.12 -1.26 -5.01 118.70 112.81 3f1h s GLU 127 Ca -0.01 0.12 0.26 0.00 0.36 0.00 0.00 54.97 55.70 3f1h s GLU 127 Cb 0.09 0.20 1.31 0.00 0.26 0.00 0.00 34.13 35.99 3f1h s GLU 127 CO 0.34 -0.13 1.74 -1.00 -0.54 0.00 0.00 175.26 175.67 3f1h h PRO 128 N 2.46 0.00 -0.71 4.30 0.13 -1.84 0.29 132.00 136.64 3f1h h PRO 128 Ca -0.16 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.75 3f1h h PRO 128 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 3f1h h PRO 128 CO 0.28 0.00 0.27 2.41 -0.23 0.00 0.00 178.00 180.72 3f1h n THR 129 N -3.28 2.91 -3.71 1.56 -1.04 -1.26 -2.12 114.28 107.32 3f1h n THR 129 Ca 0.06 -1.75 -0.13 0.00 -2.04 0.00 0.00 64.05 60.19 3f1h n THR 129 Cb 0.73 -0.36 -0.09 0.00 -1.82 0.00 0.00 70.33 68.79 3f1h n THR 129 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3f1h s ARG 130 N -3.03 0.57 -0.21 -2.82 0.52 0.10 -3.78 118.95 110.30 3f1h s ARG 130 Ca 0.54 0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 56.23 3f1h s ARG 130 Cb 0.44 0.27 0.11 0.00 0.52 0.00 0.00 34.95 36.29 3f1h s ARG 130 CO 0.12 -0.09 0.37 0.08 0.02 0.00 0.00 175.30 175.80 3f1h s VAL 131 N 0.00 -0.58 0.34 3.52 1.01 -0.80 -3.89 120.40 120.00 3f1h s VAL 131 Ca -0.02 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3f1h s VAL 131 Cb -0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 3f1h s VAL 131 CO 0.01 -0.03 0.50 -0.13 0.00 0.00 0.00 175.10 175.46 3f1h s ARG 132 N 2.54 3.24 -0.32 2.72 1.81 -0.53 -1.31 118.95 127.11 3f1h s ARG 132 Ca 0.06 -0.72 -0.02 0.00 -1.72 0.00 0.00 55.73 53.33 3f1h s ARG 132 Cb -0.14 -2.75 0.12 0.00 -0.45 0.00 0.00 34.95 31.73 3f1h s ARG 132 CO -0.14 0.09 0.16 0.08 -0.68 0.00 0.00 175.30 174.81 3f1h s VAL 133 N -2.24 0.05 0.09 3.52 1.01 -0.63 -1.55 120.40 120.65 3f1h s VAL 133 Ca 0.42 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 3f1h s VAL 133 Cb -0.10 -1.06 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 3f1h s VAL 133 CO 0.33 -0.84 0.67 -0.44 0.00 0.00 0.00 175.10 174.82 3f1h s SER 134 N 1.65 7.18 0.08 3.32 0.01 -0.17 -2.99 113.70 122.79 3f1h s SER 134 Ca 0.13 1.40 -0.26 0.00 1.31 0.00 0.00 55.95 58.53 3f1h s SER 134 Cb -0.19 -2.42 0.08 0.00 0.21 0.00 0.00 66.02 63.70 3f1h s SER 134 CO -0.20 0.20 0.71 -0.83 0.41 0.00 0.00 173.24 173.52 3f1h s GLY 135 N -0.87 -0.56 0.24 3.44 0.00 0.29 -0.06 107.32 109.81 3f1h s GLY 135 Ca 0.33 0.76 0.23 0.00 0.00 0.00 0.00 44.72 46.03 3f1h s GLY 135 CO 0.22 0.30 1.27 0.16 0.00 0.00 0.00 173.10 175.05 3f1h h ILE 136 N 2.09 0.00 -3.52 0.90 -0.00 -1.83 0.26 117.51 115.40 3f1h h ILE 136 Ca -0.29 -0.86 -0.66 0.00 -0.00 0.00 0.00 64.86 63.05 3f1h h ILE 136 Cb 1.27 1.52 -0.26 0.00 -0.00 0.00 0.00 36.82 39.35 3f1h h ILE 136 CO 0.36 0.00 -0.67 -0.62 -0.00 0.00 0.00 178.15 177.21 3f1h s ASP 137 N -5.26 4.73 0.51 2.16 3.68 -1.26 -4.39 116.67 116.84 3f1h s ASP 137 Ca 0.03 -0.37 0.19 0.00 2.13 0.00 0.00 52.55 54.53 3f1h s ASP 137 Cb 0.09 -1.83 1.28 0.00 -1.45 0.00 0.00 42.92 41.01 3f1h s ASP 137 CO 0.74 -0.05 2.08 0.50 0.13 0.00 0.00 175.17 178.57 3f1h h LYS 138 N 8.18 0.05 0.23 4.34 3.64 -1.88 0.96 116.57 132.08 3f1h h LYS 138 Ca -0.39 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 3f1h h LYS 138 Cb 1.16 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3f1h h LYS 138 CO 0.59 0.04 -0.11 0.37 -2.27 0.00 0.00 179.45 178.07 3f1h h GLN 139 N 0.06 -0.30 -0.59 1.90 5.75 -1.99 -2.03 115.11 117.91 3f1h h GLN 139 Ca 0.11 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.69 3f1h h GLN 139 Cb 0.38 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 3f1h h GLN 139 CO -0.01 0.07 0.29 0.87 -2.65 0.00 0.00 178.83 177.41 3f1h h LYS 140 N -0.84 0.53 0.07 1.69 1.57 -1.83 -1.75 116.57 116.00 3f1h h LYS 140 Ca -0.03 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3f1h h LYS 140 Cb 0.51 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 3f1h h LYS 140 CO 0.05 0.35 -0.42 0.28 -0.57 0.00 0.00 179.45 179.14 3f1h h VAL 141 N 0.55 0.16 -0.46 0.50 2.07 -0.89 -2.82 116.25 115.35 3f1h h VAL 141 Ca 0.27 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.88 3f1h h VAL 141 Cb 0.21 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.04 3f1h h VAL 141 CO -0.20 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 178.37 3f1h h GLY 142 N -0.62 0.02 0.76 2.17 0.00 -0.55 -1.20 103.07 103.64 3f1h h GLY 142 Ca 0.03 0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 3f1h h GLY 142 CO -0.27 -0.21 -0.36 1.46 0.00 0.00 0.00 176.54 177.16 3f1h h GLN 143 N -0.15 -0.98 -1.02 4.80 1.08 -1.43 -2.85 115.11 114.57 3f1h h GLN 143 Ca 0.21 0.07 0.25 0.00 -1.45 0.00 0.00 58.65 57.73 3f1h h GLN 143 Cb 0.49 0.22 -0.09 0.00 -0.05 0.00 0.00 27.48 28.05 3f1h h GLN 143 CO -0.55 -0.65 0.66 0.28 -0.95 0.00 0.00 178.83 177.62 3f1h h VAL 144 N -1.09 0.56 0.32 -0.54 2.07 -1.26 0.31 116.25 116.63 3f1h h VAL 144 Ca -0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3f1h h VAL 144 Cb 0.78 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3f1h h VAL 144 CO 0.17 0.08 -0.38 0.00 0.02 0.00 0.00 177.57 177.45 3f1h h ALA 145 N 1.62 -1.02 -0.73 1.67 0.00 -1.13 -2.50 119.26 117.16 3f1h h ALA 145 Ca 0.57 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.36 3f1h h ALA 145 Cb 1.43 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 3f1h h ALA 145 CO -0.28 -1.06 0.48 0.00 0.00 0.00 0.00 179.25 178.40 3f1h h ALA 146 N -1.06 1.49 -0.51 0.00 0.00 -0.52 -2.41 119.26 116.25 3f1h h ALA 146 Ca -0.04 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3f1h h ALA 146 Cb 0.64 -0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 3f1h h ALA 146 CO -0.08 0.47 -0.22 -0.91 0.00 0.00 0.00 179.25 178.51 3f1h h ASN 147 N 0.98 -0.77 -0.04 0.00 -0.26 -0.30 0.57 115.58 115.76 3f1h h ASN 147 Ca 0.27 0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 56.19 3f1h h ASN 147 Cb -0.10 0.42 -0.00 0.00 -1.06 0.00 0.00 38.32 37.58 3f1h h ASN 147 CO -0.06 -0.25 0.02 0.40 -1.06 0.00 0.00 177.43 176.48 3f1h h ILE 148 N -0.11 1.13 -0.91 2.81 1.08 -1.00 -2.32 117.51 118.19 3f1h h ILE 148 Ca 0.23 -0.39 0.15 0.00 -0.39 0.00 0.00 64.86 64.47 3f1h h ILE 148 Cb 0.47 1.32 -0.09 0.00 -3.07 0.00 0.00 36.82 35.45 3f1h h ILE 148 CO -0.57 0.11 0.52 -0.09 -0.69 0.00 0.00 178.15 177.42 3f1h h ARG 149 N -0.09 0.71 -0.89 2.37 2.43 -0.99 -0.73 114.38 117.18 3f1h h ARG 149 Ca 0.01 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3f1h h ARG 149 Cb 0.16 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3f1h h ARG 149 CO -0.00 0.47 0.56 0.00 -1.51 0.00 0.00 179.97 179.49 3f1h h ALA 150 N 1.57 1.22 -1.59 2.80 0.00 0.63 -1.33 119.26 122.55 3f1h h ALA 150 Ca 0.50 -0.02 0.46 0.00 0.00 0.00 0.00 54.91 55.85 3f1h h ALA 150 Cb 0.67 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3f1h h ALA 150 CO -0.35 0.34 1.18 0.82 0.00 0.00 0.00 179.25 181.24 3f1h h ILE 151 N 1.04 0.17 -0.80 0.00 1.08 -0.70 -3.23 117.51 115.07 3f1h h ILE 151 Ca 0.38 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.87 3f1h h ILE 151 Cb 0.13 0.18 -0.19 0.00 -3.07 0.00 0.00 36.82 33.86 3f1h h ILE 151 CO -0.16 0.00 -0.34 -0.60 -0.69 0.00 0.00 178.15 176.37 3f1h s ARG 152 N -4.87 0.58 1.05 2.37 6.06 -0.54 -5.07 118.95 118.54 3f1h s ARG 152 Ca -0.05 0.01 -0.17 0.00 -2.50 0.00 0.00 55.73 53.02 3f1h s ARG 152 Cb 0.24 0.12 0.07 0.00 0.06 0.00 0.00 34.95 35.44 3f1h s ARG 152 CO 0.83 -0.91 0.10 1.63 -2.50 0.00 0.00 175.30 174.45 3f1h n LYS 153 N 4.60 -1.03 -2.21 5.12 4.76 -0.96 -2.06 118.16 126.39 3f1h n LYS 153 Ca 0.08 -0.27 -0.41 0.00 -2.87 0.00 0.00 58.31 54.84 3f1h n LYS 153 Cb 0.57 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 3f1h n LYS 153 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3f1h s PRO 154 N -3.44 4.41 -0.24 1.97 0.02 -1.26 -4.50 135.00 131.97 3f1h s PRO 154 Ca 0.55 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 63.37 3f1h s PRO 154 Cb -0.15 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 3f1h s PRO 154 CO 0.67 -0.16 1.71 0.45 -0.33 0.00 0.00 177.00 179.35 3f1h s SER 155 N -0.19 6.20 0.49 2.53 0.15 -1.20 -4.86 113.70 116.82 3f1h s SER 155 Ca 0.52 1.60 0.33 0.00 0.70 0.00 0.00 55.95 59.09 3f1h s SER 155 Cb -0.37 -2.53 1.73 0.00 -1.71 0.00 0.00 66.02 63.14 3f1h s SER 155 CO 0.45 -1.41 2.00 0.00 1.20 0.00 0.00 173.24 175.48 3f1h h ALA 156 N 11.54 1.00 -0.01 5.45 0.00 -1.93 -2.03 119.26 133.28 3f1h h ALA 156 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3f1h h ALA 156 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3f1h h ALA 156 CO 1.00 0.00 -0.02 0.66 0.00 0.00 0.00 179.25 180.89 3f1h n TYR 157 N -2.68 0.00 0.00 0.00 4.01 -1.26 -4.21 117.16 113.02 3f1h n TYR 157 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3f1h n TYR 157 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3f1h n TYR 157 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3f1h n HIS 158 N 0.54 0.00 -3.07 -0.72 8.25 -0.76 -4.99 115.22 114.46 3f1h n HIS 158 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.42 3f1h n HIS 158 Cb 0.27 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 3f1h n HIS 158 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3f1h s GLU 159 N 4.52 0.92 0.17 -0.41 2.12 -1.26 -4.13 118.70 120.64 3f1h s GLU 159 Ca 0.00 -1.12 -0.04 0.00 0.36 0.00 0.00 54.97 54.17 3f1h s GLU 159 Cb 0.00 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 3f1h s GLU 159 CO 0.00 -1.30 0.16 0.15 -0.54 0.00 0.00 175.26 173.74 3f1h s LYS 160 N 0.96 1.10 0.52 4.30 1.02 -1.26 -3.61 119.74 122.76 3f1h s LYS 160 Ca 0.26 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.84 3f1h s LYS 160 Cb -0.03 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 3f1h s LYS 160 CO -0.08 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 3f1h n GLY 161 N -0.19 -1.90 3.65 -3.33 0.00 -1.01 -3.23 105.19 99.19 3f1h n GLY 161 Ca -0.04 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 3f1h n GLY 161 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3f1h n ILE 162 N -2.64 2.91 -3.72 -0.61 2.08 -0.87 -2.82 119.36 113.68 3f1h n ILE 162 Ca 0.00 -0.34 -0.10 0.00 0.56 0.00 0.00 62.75 62.87 3f1h n ILE 162 Cb 0.32 -1.18 -0.06 0.00 -0.75 0.00 0.00 39.64 37.97 3f1h n ILE 162 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3f1h s TYR 163 N -1.84 -0.07 0.00 1.39 1.51 0.35 -3.99 117.35 114.69 3f1h s TYR 163 Ca 0.75 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 3f1h s TYR 163 Cb -0.33 0.14 0.00 0.00 -0.11 0.00 0.00 41.96 41.65 3f1h s TYR 163 CO 0.49 -0.64 0.00 0.66 -1.11 0.00 0.00 175.55 174.96 3f1h n TYR 164 N -0.12 0.00 -1.46 2.71 4.01 -1.26 -0.63 117.16 120.41 3f1h n TYR 164 Ca -0.16 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.64 3f1h n TYR 164 Cb 0.63 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.75 3f1h n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3f1h n ALA 165 N -3.00 2.24 -2.92 -0.72 0.00 -1.26 -4.20 120.51 110.65 3f1h n ALA 165 Ca 0.00 -2.09 -0.30 0.00 0.00 0.00 0.00 53.44 51.05 3f1h n ALA 165 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 3f1h n ALA 165 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f1h s GLY 166 N -2.22 2.06 0.98 0.00 0.00 -1.26 -5.08 107.32 101.80 3f1h s GLY 166 Ca 0.21 -0.89 -0.15 0.00 0.00 0.00 0.00 44.72 43.90 3f1h s GLY 166 CO 0.01 -0.87 -0.02 1.18 0.00 0.00 0.00 173.10 173.39 3f1h n GLU 167 N 0.06 -0.32 -0.99 2.90 1.02 -1.26 -4.97 120.64 117.08 3f1h n GLU 167 Ca -0.05 -0.07 -0.29 0.00 -0.02 0.00 0.00 57.16 56.73 3f1h n GLU 167 Cb 0.52 -1.58 0.21 0.00 -0.02 0.00 0.00 31.44 30.56 3f1h n GLU 167 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3f1h s PRO 168 N -3.13 -0.22 -0.19 3.49 0.04 -1.26 -4.99 135.00 128.75 3f1h s PRO 168 Ca 0.51 0.51 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 3f1h s PRO 168 Cb -0.18 -1.66 -0.21 0.00 0.04 0.00 0.00 34.50 32.49 3f1h s PRO 168 CO 0.71 -3.17 0.19 1.55 0.04 0.00 0.00 177.00 176.32 3f1h n VAL 169 N -4.48 1.62 -0.67 -0.36 3.14 -1.26 -5.20 118.33 111.12 3f1h n VAL 169 Ca 0.05 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 3f1h n VAL 169 Cb 0.57 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 3f1h n VAL 169 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91