#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hc4 s VAL 2 N 0.00 3.28 0.01 -0.39 1.01 -1.26 -3.95 120.40 119.09 3hc4 s VAL 2 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.83 3hc4 s VAL 2 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3hc4 s VAL 2 CO 0.00 0.04 -0.01 -1.10 0.00 0.00 0.00 175.10 174.03 3hc4 s GLN 3 N 1.60 0.10 -0.16 2.72 -1.52 -0.40 -4.98 119.66 117.02 3hc4 s GLN 3 Ca 0.66 -0.17 -0.01 0.00 -1.95 0.00 0.00 55.36 53.90 3hc4 s GLN 3 Cb -0.37 -0.00 0.04 0.00 -0.22 0.00 0.00 33.01 32.46 3hc4 s GLN 3 CO 0.30 -0.01 -0.04 -0.51 -0.25 0.00 0.00 175.29 174.78 3hc4 s LEU 4 N -0.38 1.46 -0.19 2.90 1.43 -1.26 -1.31 118.68 121.34 3hc4 s LEU 4 Ca -0.04 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3hc4 s LEU 4 Cb -0.03 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.37 3hc4 s LEU 4 CO -0.00 -0.19 -0.17 -0.69 0.23 0.00 0.00 176.35 175.53 3hc4 s VAL 5 N 1.68 2.30 0.33 -1.59 1.01 -0.11 -3.99 120.40 120.04 3hc4 s VAL 5 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3hc4 s VAL 5 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3hc4 s VAL 5 CO -0.08 0.52 0.50 -1.10 0.00 0.00 0.00 175.10 174.94 3hc4 s GLN 6 N 1.30 3.32 0.93 2.72 -0.21 -1.26 -0.35 119.66 126.12 3hc4 s GLN 6 Ca 0.05 -0.62 -0.12 0.00 0.02 0.00 0.00 55.36 54.68 3hc4 s GLN 6 Cb -0.13 -2.74 0.15 0.00 1.00 0.00 0.00 33.01 31.28 3hc4 s GLN 6 CO -0.11 0.14 1.12 -1.54 -2.12 0.00 0.00 175.29 172.78 3hc4 s SER 7 N -4.08 3.34 0.89 5.90 1.04 -0.90 -4.98 113.70 114.92 3hc4 s SER 7 Ca 0.41 1.04 -0.13 0.00 0.48 0.00 0.00 55.95 57.75 3hc4 s SER 7 Cb -0.09 -1.65 0.15 0.00 0.10 0.00 0.00 66.02 64.53 3hc4 s SER 7 CO 0.33 -2.67 1.24 -0.83 0.98 0.00 0.00 173.24 172.30 3hc4 s GLY 8 N -3.87 1.72 0.52 7.32 0.00 -1.26 -4.65 107.32 107.11 3hc4 s GLY 8 Ca 0.64 -1.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 3hc4 s GLY 8 CO 0.54 -0.42 1.13 0.00 0.00 0.00 0.00 173.10 174.35 3hc4 n ALA 9 N -3.52 0.75 -2.57 3.20 0.00 -1.26 -4.79 120.51 112.31 3hc4 n ALA 9 Ca 0.13 0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 3hc4 n ALA 9 Cb 0.60 -2.20 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 3hc4 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hc4 s GLU 10 N -2.55 1.13 -0.07 0.00 0.41 -0.12 -5.00 118.70 112.50 3hc4 s GLU 10 Ca 0.70 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 54.38 3hc4 s GLU 10 Cb -0.46 -1.20 0.02 0.00 -1.78 0.00 0.00 34.13 30.71 3hc4 s GLU 10 CO 0.51 0.30 -0.05 0.08 -0.49 0.00 0.00 175.26 175.61 3hc4 s VAL 11 N -0.87 0.69 0.09 2.63 1.01 -1.26 -1.18 120.40 121.50 3hc4 s VAL 11 Ca 0.04 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3hc4 s VAL 11 Cb -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3hc4 s VAL 11 CO 0.02 0.28 -0.09 -0.54 0.00 0.00 0.00 175.10 174.77 3hc4 s LYS 12 N 1.30 0.79 0.28 2.72 -0.14 0.34 -4.98 119.74 120.05 3hc4 s LYS 12 Ca -0.04 -1.13 -0.07 0.00 -1.36 0.00 0.00 55.97 53.37 3hc4 s LYS 12 Cb -0.14 -0.41 -0.06 0.00 -1.68 0.00 0.00 37.83 35.54 3hc4 s LYS 12 CO -0.02 0.05 0.58 0.15 -0.76 0.00 0.00 175.35 175.35 3hc4 s LYS 13 N -2.81 3.71 0.33 1.68 -0.14 -1.26 -1.12 119.74 120.13 3hc4 s LYS 13 Ca 0.04 0.16 -0.28 0.00 -1.36 0.00 0.00 55.97 54.54 3hc4 s LYS 13 Cb -0.02 -2.61 -0.13 0.00 -1.68 0.00 0.00 37.83 33.39 3hc4 s LYS 13 CO -0.01 0.22 1.20 -2.30 -0.76 0.00 0.00 175.35 173.70 3hc4 n PRO 14 N -0.71 1.88 0.00 -1.68 -0.02 -1.26 -1.83 135.00 131.38 3hc4 n PRO 14 Ca -0.00 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3hc4 n PRO 14 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3hc4 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hc4 n GLY 15 N 0.91 3.15 3.87 -1.23 0.00 0.72 -4.92 105.19 107.68 3hc4 n GLY 15 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3hc4 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hc4 s GLU 16 N -0.67 0.39 0.26 1.61 2.02 -0.76 -4.14 118.70 117.42 3hc4 s GLU 16 Ca 0.00 -0.32 0.11 0.00 0.02 0.00 0.00 54.97 54.78 3hc4 s GLU 16 Cb 0.00 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.37 3hc4 s GLU 16 CO 0.00 -2.59 -0.18 -1.54 0.02 0.00 0.00 175.26 170.97 3hc4 s SER 17 N -4.69 3.30 0.03 -0.19 1.04 -1.26 -1.10 113.70 110.82 3hc4 s SER 17 Ca 0.73 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 56.16 3hc4 s SER 17 Cb -0.05 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 3hc4 s SER 17 CO 0.53 -0.03 -0.11 0.54 0.98 0.00 0.00 173.24 175.15 3hc4 s VAL 18 N -2.65 0.85 -0.12 5.02 0.11 -0.48 -4.99 120.40 118.14 3hc4 s VAL 18 Ca 0.28 -0.80 -0.00 0.00 -2.93 0.00 0.00 61.98 58.52 3hc4 s VAL 18 Cb -0.03 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 3hc4 s VAL 18 CO 0.13 -0.01 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.05 3hc4 s LYS 19 N -0.92 1.65 -0.09 1.54 2.20 -1.26 -0.86 119.74 122.01 3hc4 s LYS 19 Ca -0.00 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 3hc4 s LYS 19 Cb -0.07 -1.66 -0.03 0.00 -1.51 0.00 0.00 37.83 34.57 3hc4 s LYS 19 CO 0.01 -0.25 -0.10 0.08 -0.36 0.00 0.00 175.35 174.73 3hc4 s VAL 20 N 1.63 3.40 0.23 4.02 1.01 0.16 -4.96 120.40 125.90 3hc4 s VAL 20 Ca 0.04 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3hc4 s VAL 20 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3hc4 s VAL 20 CO -0.08 0.57 0.24 -0.94 0.00 0.00 0.00 175.10 174.89 3hc4 s SER 21 N -0.39 5.81 -0.26 3.32 1.04 -1.26 -0.99 113.70 120.97 3hc4 s SER 21 Ca 0.05 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 3hc4 s SER 21 Cb -0.12 -1.58 0.10 0.00 0.10 0.00 0.00 66.02 64.53 3hc4 s SER 21 CO 0.02 -0.02 0.19 0.00 0.98 0.00 0.00 173.24 174.41 3hc4 s LYS 23 N 2.23 4.00 -0.06 0.00 2.47 0.53 -0.78 119.74 128.12 3hc4 s LYS 23 Ca 0.08 0.31 -0.04 0.00 -1.56 0.00 0.00 55.97 54.76 3hc4 s LYS 23 Cb -0.15 -3.68 -0.04 0.00 -1.46 0.00 0.00 37.83 32.50 3hc4 s LYS 23 CO -0.27 -0.44 0.11 0.00 0.16 0.00 0.00 175.35 174.91 3hc4 s ALA 24 N 2.42 3.73 0.20 3.13 0.00 0.47 -0.93 121.76 130.77 3hc4 s ALA 24 Ca 0.23 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 3hc4 s ALA 24 Cb -0.15 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.20 3hc4 s ALA 24 CO 0.10 0.66 0.44 -1.54 0.00 0.00 0.00 175.76 175.42 3hc4 s SER 25 N -1.39 -0.13 0.00 0.00 1.04 -0.43 -4.79 113.70 108.01 3hc4 s SER 25 Ca 0.19 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3hc4 s SER 25 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3hc4 s SER 25 CO 0.09 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3hc4 n GLY 26 N -0.31 0.81 3.63 7.32 0.00 -1.25 -1.28 105.19 114.11 3hc4 n GLY 26 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3hc4 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hc4 s TYR 27 N -3.22 0.18 -0.64 1.61 1.13 -1.26 -4.26 117.35 110.89 3hc4 s TYR 27 Ca 0.00 -0.56 -0.28 0.00 -1.41 0.00 0.00 57.07 54.82 3hc4 s TYR 27 Cb 0.00 0.32 0.02 0.00 -1.10 0.00 0.00 41.96 41.20 3hc4 s TYR 27 CO 0.00 -1.02 1.31 0.95 -2.51 0.00 0.00 175.55 174.28 3hc4 s THR 28 N -3.98 3.81 0.40 -3.49 -4.23 -1.26 -4.88 115.64 102.01 3hc4 s THR 28 Ca 0.18 0.62 0.15 0.00 -1.18 0.00 0.00 61.69 61.45 3hc4 s THR 28 Cb -0.02 -4.70 0.36 0.00 1.34 0.00 0.00 72.50 69.48 3hc4 s THR 28 CO 0.07 -1.49 1.87 0.15 -0.54 0.00 0.00 174.62 174.67 3hc4 h PHE 29 N 10.36 0.62 0.00 3.99 3.57 -1.95 -2.13 116.94 131.40 3hc4 h PHE 29 Ca -0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3hc4 h PHE 29 Cb 1.07 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3hc4 h PHE 29 CO 1.07 0.19 0.00 0.25 -2.23 0.00 0.00 178.31 177.60 3hc4 n THR 30 N -4.53 0.08 0.29 4.41 -2.24 -1.26 -3.81 114.28 107.22 3hc4 n THR 30 Ca 0.18 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 62.03 3hc4 n THR 30 Cb 0.60 -0.56 0.07 0.00 -2.10 0.00 0.00 70.33 68.33 3hc4 n THR 30 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hc4 n THR 31 N -1.22 0.23 -4.43 4.28 -2.24 -0.80 -2.46 114.28 107.64 3hc4 n THR 31 Ca 0.15 -0.62 -0.21 0.00 -2.27 0.00 0.00 64.05 61.10 3hc4 n THR 31 Cb 0.19 1.05 -0.14 0.00 -2.10 0.00 0.00 70.33 69.34 3hc4 n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3hc4 s TYR 32 N -0.89 1.30 0.39 4.78 2.02 -1.25 -5.09 117.35 118.62 3hc4 s TYR 32 Ca 0.14 -0.34 -0.26 0.00 -0.37 0.00 0.00 57.07 56.24 3hc4 s TYR 32 Cb 0.09 -0.78 -0.09 0.00 -0.40 0.00 0.00 41.96 40.78 3hc4 s TYR 32 CO 0.13 0.03 1.27 0.71 -1.57 0.00 0.00 175.55 176.13 3hc4 s TYR 33 N -0.77 2.90 -0.17 2.71 2.02 -1.26 -4.35 117.35 118.44 3hc4 s TYR 33 Ca 0.03 1.44 0.01 0.00 -0.37 0.00 0.00 57.07 58.18 3hc4 s TYR 33 Cb -0.08 -3.61 0.01 0.00 -0.40 0.00 0.00 41.96 37.89 3hc4 s TYR 33 CO 0.01 -1.89 -0.18 -1.17 -1.57 0.00 0.00 175.55 170.75 3hc4 s LEU 34 N -2.36 2.25 0.28 -1.29 1.98 -0.12 -2.12 118.68 117.30 3hc4 s LEU 34 Ca 0.56 -0.59 0.08 0.00 -2.89 0.00 0.00 54.13 51.29 3hc4 s LEU 34 Cb -0.37 -1.51 -0.04 0.00 0.66 0.00 0.00 46.19 44.94 3hc4 s LEU 34 CO 0.47 0.03 0.12 -1.00 -1.89 0.00 0.00 176.35 174.08 3hc4 s HIS 35 N 1.11 2.85 -0.06 5.38 3.76 0.55 -0.79 115.29 128.08 3hc4 s HIS 35 Ca 0.00 -0.23 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 3hc4 s HIS 35 Cb -0.14 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 3hc4 s HIS 35 CO -0.07 0.49 -0.25 -1.58 -0.85 0.00 0.00 174.74 172.48 3hc4 s TRP 36 N -2.28 2.43 -0.00 1.40 0.52 -0.26 -0.56 118.94 120.18 3hc4 s TRP 36 Ca 0.34 -0.75 0.00 0.00 0.02 0.00 0.00 56.10 55.71 3hc4 s TRP 36 Cb -0.06 -1.60 0.00 0.00 -1.15 0.00 0.00 33.47 30.67 3hc4 s TRP 36 CO 0.23 -0.24 -0.01 0.08 0.02 0.00 0.00 176.95 177.03 3hc4 s VAL 37 N -0.11 0.09 0.31 4.03 1.01 -0.17 -0.47 120.40 125.10 3hc4 s VAL 37 Ca -0.05 -0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.02 3hc4 s VAL 37 Cb -0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.08 3hc4 s VAL 37 CO 0.04 0.04 -0.15 0.00 0.00 0.00 0.00 175.10 175.03 3hc4 s ARG 38 N 0.15 1.74 -0.05 2.72 1.70 0.48 0.32 118.95 126.01 3hc4 s ARG 38 Ca -0.01 -1.84 -0.02 0.00 -0.47 0.00 0.00 55.73 53.38 3hc4 s ARG 38 Cb -0.03 -1.74 0.04 0.00 -0.57 0.00 0.00 34.95 32.65 3hc4 s ARG 38 CO -0.00 0.25 0.09 -1.14 -1.08 0.00 0.00 175.30 173.42 3hc4 s GLN 39 N -3.56 -0.01 0.03 3.89 0.74 0.59 -0.40 119.66 120.95 3hc4 s GLN 39 Ca 0.31 0.38 -0.11 0.00 0.05 0.00 0.00 55.36 55.99 3hc4 s GLN 39 Cb -0.02 -0.32 0.01 0.00 1.10 0.00 0.00 33.01 33.78 3hc4 s GLN 39 CO 0.16 -0.25 0.23 0.00 -0.55 0.00 0.00 175.29 174.87 3hc4 s ALA 40 N 1.73 -0.47 0.49 1.58 0.00 -1.05 -1.34 121.76 122.70 3hc4 s ALA 40 Ca -0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 3hc4 s ALA 40 Cb -0.12 0.26 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 3hc4 s ALA 40 CO -0.04 -0.36 1.38 -2.14 0.00 0.00 0.00 175.76 174.60 3hc4 s PRO 41 N -2.39 3.49 0.00 0.00 0.02 -1.26 -0.19 135.00 134.66 3hc4 s PRO 41 Ca -0.06 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3hc4 s PRO 41 Cb -0.02 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 32.01 3hc4 s PRO 41 CO -0.03 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.12 3hc4 n GLY 42 N 0.64 2.93 0.00 0.52 0.00 -1.26 -4.53 105.19 103.49 3hc4 n GLY 42 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 3hc4 n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hc4 n GLN 43 N -0.54 0.30 0.00 1.61 -0.06 -1.21 -5.13 117.38 112.35 3hc4 n GLN 43 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 57.00 54.95 3hc4 n GLN 43 Cb 0.00 -1.14 0.00 0.00 -4.06 0.00 0.00 30.24 25.04 3hc4 n GLN 43 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hc4 n GLY 44 N 2.18 -0.19 3.70 1.69 0.00 0.73 -4.68 105.19 108.62 3hc4 n GLY 44 Ca -0.01 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 3hc4 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hc4 s LEU 45 N 0.00 4.31 -0.06 0.99 1.43 -1.26 -2.53 118.68 121.56 3hc4 s LEU 45 Ca 0.00 1.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.91 3hc4 s LEU 45 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3hc4 s LEU 45 CO 0.00 -0.47 -0.16 -1.61 0.23 0.00 0.00 176.35 174.34 3hc4 s GLU 46 N 1.67 1.96 0.05 1.70 2.02 0.47 -4.98 118.70 121.59 3hc4 s GLU 46 Ca 0.54 -0.57 -0.26 0.00 0.02 0.00 0.00 54.97 54.71 3hc4 s GLU 46 Cb -0.24 -1.61 -0.05 0.00 0.10 0.00 0.00 34.13 32.33 3hc4 s GLU 46 CO 0.24 0.13 0.80 -0.46 0.02 0.00 0.00 175.26 176.00 3hc4 s TRP 47 N 0.37 3.74 -0.17 1.61 -0.00 -1.26 -0.39 118.94 122.85 3hc4 s TRP 47 Ca -0.11 1.53 0.04 0.00 -0.00 0.00 0.00 56.10 57.55 3hc4 s TRP 47 Cb -0.15 -2.87 -0.13 0.00 -0.00 0.00 0.00 33.47 30.33 3hc4 s TRP 47 CO 0.04 0.25 -0.12 -1.33 -0.00 0.00 0.00 176.95 175.79 3hc4 n MET 48 N 2.85 0.70 0.00 5.86 2.81 0.38 -4.71 117.12 125.02 3hc4 n MET 48 Ca -0.01 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3hc4 n MET 48 Cb 0.50 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 3hc4 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hc4 n GLY 49 N 2.54 0.80 3.21 3.03 0.00 -1.18 -0.80 105.19 112.79 3hc4 n GLY 49 Ca -0.30 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 3hc4 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hc4 s TRP 50 N -2.00 1.09 0.04 1.61 1.48 -0.14 -1.11 118.94 119.91 3hc4 s TRP 50 Ca 0.00 -0.80 0.07 0.00 -1.06 0.00 0.00 56.10 54.31 3hc4 s TRP 50 Cb 0.00 -0.58 -0.02 0.00 -1.16 0.00 0.00 33.47 31.70 3hc4 s TRP 50 CO 0.00 -0.02 -0.20 -1.50 -4.06 0.00 0.00 176.95 171.18 3hc4 s ILE 51 N -3.27 1.59 -0.47 0.66 2.07 0.02 -1.33 121.20 120.47 3hc4 s ILE 51 Ca 0.13 -1.15 -0.11 0.00 -1.41 0.00 0.00 60.65 58.11 3hc4 s ILE 51 Cb 0.03 -1.38 0.11 0.00 0.13 0.00 0.00 42.46 41.34 3hc4 s ILE 51 CO -0.01 0.19 0.36 -0.47 -1.91 0.00 0.00 174.94 173.10 3hc4 s TYR 52 N -0.79 3.36 0.43 3.50 5.04 0.45 -0.95 117.35 128.41 3hc4 s TYR 52 Ca 0.07 -1.63 0.40 0.00 -2.44 0.00 0.00 57.07 53.47 3hc4 s TYR 52 Cb -0.09 -3.43 2.02 0.00 0.35 0.00 0.00 41.96 40.82 3hc4 s TYR 52 CO 0.02 -0.96 2.22 -1.35 -1.34 0.00 0.00 175.55 174.13 3hc4 h PRO 53 N 8.55 0.00 -0.78 4.97 0.11 -1.79 0.19 132.00 143.25 3hc4 h PRO 53 Ca -0.24 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.97 3hc4 h PRO 53 Cb 1.08 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3hc4 h PRO 53 CO 0.88 0.00 0.51 0.78 -0.21 0.00 0.00 178.00 179.95 3hc4 h GLY 54 N 0.76 0.98 0.00 -0.55 0.00 -1.75 -3.30 103.07 99.22 3hc4 h GLY 54 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3hc4 h GLY 54 CO 0.00 0.16 0.00 1.16 0.00 0.00 0.00 176.54 177.86 3hc4 n ASN 55 N -4.50 0.50 0.00 0.19 0.23 -1.00 -5.02 115.26 105.66 3hc4 n ASN 55 Ca 0.13 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 3hc4 n ASN 55 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 3hc4 n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hc4 n GLY 56 N -0.01 0.72 3.76 4.83 0.00 0.02 -5.00 105.19 109.51 3hc4 n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hc4 n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hc4 s HIS 57 N -2.97 3.17 0.03 1.61 3.76 -1.21 -4.78 115.29 114.90 3hc4 s HIS 57 Ca 0.00 1.44 0.01 0.00 -0.15 0.00 0.00 55.06 56.36 3hc4 s HIS 57 Cb 0.00 -3.60 -0.02 0.00 1.11 0.00 0.00 32.58 30.07 3hc4 s HIS 57 CO 0.00 -1.63 -0.05 0.00 -0.85 0.00 0.00 174.74 172.21 3hc4 s ALA 58 N -0.98 0.28 -0.01 -1.40 0.00 -1.26 -0.41 121.76 117.98 3hc4 s ALA 58 Ca 0.49 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.88 3hc4 s ALA 58 Cb -0.38 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 3hc4 s ALA 58 CO 0.49 -0.09 -0.05 -1.14 0.00 0.00 0.00 175.76 174.97 3hc4 s GLN 59 N -1.33 0.43 0.13 0.00 0.74 -0.44 -5.00 119.66 114.18 3hc4 s GLN 59 Ca -0.12 -0.17 0.10 0.00 0.05 0.00 0.00 55.36 55.22 3hc4 s GLN 59 Cb -0.09 -0.42 -0.04 0.00 1.10 0.00 0.00 33.01 33.56 3hc4 s GLN 59 CO -0.00 0.09 -0.25 0.71 -0.55 0.00 0.00 175.29 175.29 3hc4 s TYR 60 N -0.04 2.19 0.07 1.67 2.02 -1.26 -0.97 117.35 121.03 3hc4 s TYR 60 Ca 0.01 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 3hc4 s TYR 60 Cb -0.03 -1.18 -0.09 0.00 -0.40 0.00 0.00 41.96 40.26 3hc4 s TYR 60 CO -0.00 0.31 1.84 1.21 -1.57 0.00 0.00 175.55 177.34 3hc4 s ASN 61 N -2.05 6.48 0.62 2.29 3.84 0.02 -4.87 114.94 121.28 3hc4 s ASN 61 Ca 0.12 2.64 0.40 0.00 0.21 0.00 0.00 52.86 56.23 3hc4 s ASN 61 Cb -0.10 -2.55 2.04 0.00 -0.55 0.00 0.00 41.25 40.10 3hc4 s ASN 61 CO 0.06 -1.00 2.24 -0.33 -2.79 0.00 0.00 177.10 175.28 3hc4 h GLU 62 N 9.37 0.00 0.00 0.43 5.08 -1.96 -2.32 114.58 125.18 3hc4 h GLU 62 Ca -0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3hc4 h GLU 62 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hc4 h GLU 62 CO 0.94 0.01 -0.08 1.57 -1.00 0.00 0.00 179.01 180.46 3hc4 h LYS 63 N 0.00 0.00 -0.00 2.33 2.10 -1.97 -1.16 116.57 117.87 3hc4 h LYS 63 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hc4 h LYS 63 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3hc4 h LYS 63 CO 0.00 0.08 -0.02 1.19 -2.00 0.00 0.00 179.45 178.70 3hc4 n PHE 64 N -3.42 0.00 -3.84 0.07 3.72 -0.87 -4.93 117.46 108.19 3hc4 n PHE 64 Ca -0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.12 3hc4 n PHE 64 Cb 0.23 -0.25 0.03 0.00 -0.94 0.00 0.00 39.48 38.55 3hc4 n PHE 64 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3hc4 n LYS 65 N -1.22 -5.15 -0.96 -1.08 4.76 -0.44 -1.25 118.16 112.82 3hc4 n LYS 65 Ca 0.15 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 3hc4 n LYS 65 Cb 0.23 -5.31 0.00 0.00 -1.84 0.00 0.00 35.03 28.11 3hc4 n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hc4 n GLY 66 N -1.66 0.77 0.11 0.72 0.00 -1.26 -4.89 105.19 98.97 3hc4 n GLY 66 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 3hc4 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hc4 n ARG 67 N -2.14 0.23 -3.94 1.61 1.74 -0.38 -4.72 116.66 109.05 3hc4 n ARG 67 Ca 0.00 0.30 -0.35 0.00 -0.77 0.00 0.00 57.85 57.03 3hc4 n ARG 67 Cb 0.02 -1.83 -0.08 0.00 -1.02 0.00 0.00 32.46 29.54 3hc4 n ARG 67 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hc4 s VAL 68 N -3.20 5.05 -0.10 1.55 1.01 -1.26 -1.14 120.40 122.32 3hc4 s VAL 68 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3hc4 s VAL 68 Cb 0.11 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.25 3hc4 s VAL 68 CO 0.50 0.50 -0.12 -0.89 0.00 0.00 0.00 175.10 175.09 3hc4 s THR 69 N -0.03 1.27 -0.12 3.92 2.01 -0.22 -4.99 115.64 117.47 3hc4 s THR 69 Ca 0.08 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 3hc4 s THR 69 Cb -0.12 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 3hc4 s THR 69 CO 0.00 0.40 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.59 3hc4 s ILE 70 N 1.10 3.27 0.19 1.82 1.01 -1.26 -0.70 121.20 126.64 3hc4 s ILE 70 Ca -0.05 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3hc4 s ILE 70 Cb -0.14 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3hc4 s ILE 70 CO -0.02 0.53 -0.01 0.42 0.00 0.00 0.00 174.94 175.86 3hc4 s THR 71 N 0.11 0.85 -0.09 2.92 -4.23 -0.47 -4.92 115.64 109.80 3hc4 s THR 71 Ca -0.05 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 3hc4 s THR 71 Cb -0.14 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.53 3hc4 s THR 71 CO 0.04 -0.43 0.29 0.00 -0.54 0.00 0.00 174.62 173.98 3hc4 s ALA 72 N -3.55 -0.72 -0.32 3.99 0.00 -1.26 -0.55 121.76 119.34 3hc4 s ALA 72 Ca 0.25 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 3hc4 s ALA 72 Cb 0.06 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.86 3hc4 s ALA 72 CO 0.06 -0.16 0.05 0.34 0.00 0.00 0.00 175.76 176.04 3hc4 s ASP 73 N -0.15 5.06 0.32 0.00 3.68 0.49 -4.98 116.67 121.10 3hc4 s ASP 73 Ca -0.03 -1.29 0.01 0.00 2.13 0.00 0.00 52.55 53.37 3hc4 s ASP 73 Cb -0.03 -1.77 0.57 0.00 -1.45 0.00 0.00 42.92 40.23 3hc4 s ASP 73 CO 0.01 -0.31 1.96 0.11 0.13 0.00 0.00 175.17 177.08 3hc4 h LYS 74 N 8.08 0.94 0.00 4.34 1.57 -1.87 -1.11 116.57 128.51 3hc4 h LYS 74 Ca -0.21 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 3hc4 h LYS 74 Cb 1.07 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3hc4 h LYS 74 CO 0.57 0.62 -0.21 0.66 -0.57 0.00 0.00 179.45 180.52 3hc4 h SER 75 N 0.97 0.00 -0.02 0.86 4.64 -1.96 -3.07 113.55 114.97 3hc4 h SER 75 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3hc4 h SER 75 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3hc4 h SER 75 CO -0.09 0.21 0.00 0.35 -0.87 0.00 0.00 176.83 176.44 3hc4 n THR 76 N -4.03 0.20 -3.87 2.95 -2.24 -1.06 -5.01 114.28 101.21 3hc4 n THR 76 Ca -0.02 -0.60 -0.25 0.00 -2.27 0.00 0.00 64.05 60.91 3hc4 n THR 76 Cb 0.29 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3hc4 n THR 76 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hc4 n SER 77 N 0.07 -1.17 -4.11 3.42 7.64 -0.44 -4.76 113.62 114.28 3hc4 n SER 77 Ca 0.02 -0.92 -0.26 0.00 1.01 0.00 0.00 58.87 58.72 3hc4 n SER 77 Cb 0.11 -3.47 -0.16 0.00 -1.01 0.00 0.00 64.21 59.68 3hc4 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3hc4 s THR 78 N -3.76 1.39 0.20 0.44 2.01 -1.11 -0.40 115.64 114.41 3hc4 s THR 78 Ca 0.10 -0.67 0.07 0.00 0.31 0.00 0.00 61.69 61.50 3hc4 s THR 78 Cb -0.05 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 3hc4 s THR 78 CO 0.86 0.41 0.05 0.00 -0.69 0.00 0.00 174.62 175.24 3hc4 s ALA 79 N 0.23 3.31 0.02 7.40 0.00 0.04 -0.38 121.76 132.38 3hc4 s ALA 79 Ca -0.08 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.50 3hc4 s ALA 79 Cb -0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3hc4 s ALA 79 CO 0.03 0.42 -0.05 0.71 0.00 0.00 0.00 175.76 176.87 3hc4 s TYR 80 N -1.89 0.46 -0.12 0.00 2.02 0.28 -0.25 117.35 117.85 3hc4 s TYR 80 Ca 0.29 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 3hc4 s TYR 80 Cb -0.09 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.20 3hc4 s TYR 80 CO 0.20 -0.06 -0.15 1.41 -1.57 0.00 0.00 175.55 175.38 3hc4 s MET 81 N -0.89 2.25 -0.15 -0.62 -2.45 -0.16 -1.37 119.30 115.92 3hc4 s MET 81 Ca -0.06 -0.56 -0.01 0.00 -1.25 0.00 0.00 55.69 53.81 3hc4 s MET 81 Cb -0.06 -1.97 -0.01 0.00 1.25 0.00 0.00 34.83 34.04 3hc4 s MET 81 CO -0.00 -0.12 -0.11 -2.00 1.05 0.00 0.00 175.02 173.84 3hc4 s GLU 82 N 1.16 3.39 -0.15 4.11 2.12 0.13 -0.66 118.70 128.79 3hc4 s GLU 82 Ca -0.03 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.66 3hc4 s GLU 82 Cb -0.14 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.54 3hc4 s GLU 82 CO -0.05 0.11 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.40 3hc4 s LEU 83 N 0.62 2.12 0.43 2.70 2.96 -0.04 -1.06 118.68 126.41 3hc4 s LEU 83 Ca -0.06 -0.62 0.07 0.00 -0.22 0.00 0.00 54.13 53.30 3hc4 s LEU 83 Cb -0.15 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3hc4 s LEU 83 CO 0.03 0.05 0.37 -0.94 -1.32 0.00 0.00 176.35 174.54 3hc4 s SER 84 N 0.98 4.96 -1.35 3.68 1.04 -0.29 -1.38 113.70 121.34 3hc4 s SER 84 Ca -0.03 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.53 3hc4 s SER 84 Cb -0.15 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.51 3hc4 s SER 84 CO -0.06 -0.69 0.48 -1.20 0.98 0.00 0.00 173.24 172.75 3hc4 n SER 85 N -1.55 -1.33 -4.76 7.02 7.64 -1.08 -4.86 113.62 114.70 3hc4 n SER 85 Ca 0.03 -1.03 -0.38 0.00 1.01 0.00 0.00 58.87 58.49 3hc4 n SER 85 Cb 0.62 -3.00 0.02 0.00 -1.01 0.00 0.00 64.21 60.84 3hc4 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hc4 s LEU 86 N -6.91 3.96 0.26 -3.43 1.43 -0.25 -4.62 118.68 109.11 3hc4 s LEU 86 Ca 0.11 2.70 0.02 0.00 -1.03 0.00 0.00 54.13 55.94 3hc4 s LEU 86 Cb -0.04 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 3hc4 s LEU 86 CO 0.89 -1.33 0.05 0.00 0.23 0.00 0.00 176.35 176.20 3hc4 s ARG 87 N -2.73 1.42 0.40 1.70 1.70 -1.26 -0.20 118.95 119.98 3hc4 s ARG 87 Ca 0.67 -1.76 0.12 0.00 -0.47 0.00 0.00 55.73 54.30 3hc4 s ARG 87 Cb -0.39 -0.50 0.94 0.00 -0.57 0.00 0.00 34.95 34.44 3hc4 s ARG 87 CO 0.47 -0.20 1.93 0.66 -1.08 0.00 0.00 175.30 177.08 3hc4 h SER 88 N 2.37 0.49 0.35 -2.89 4.64 -1.97 0.21 113.55 116.75 3hc4 h SER 88 Ca -0.39 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3hc4 h SER 88 Cb 1.24 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3hc4 h SER 88 CO 0.64 0.27 0.00 -0.62 -0.87 0.00 0.00 176.83 176.25 3hc4 n GLU 89 N -4.49 0.07 0.00 4.77 4.71 -1.26 -1.43 120.64 123.01 3hc4 n GLU 89 Ca 0.13 0.42 0.15 0.00 -0.01 0.00 0.00 57.16 57.85 3hc4 n GLU 89 Cb 0.42 -1.66 0.80 0.00 -1.01 0.00 0.00 31.44 29.99 3hc4 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hc4 n ASP 90 N -1.80 0.17 -4.66 1.62 8.00 0.06 -4.84 116.55 115.10 3hc4 n ASP 90 Ca 0.02 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 3hc4 n ASP 90 Cb 0.12 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 3hc4 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hc4 s THR 91 N -2.29 3.31 0.03 -3.53 2.01 -0.51 -4.84 115.64 109.81 3hc4 s THR 91 Ca 0.37 0.37 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 3hc4 s THR 91 Cb 0.21 -3.24 0.11 0.00 0.01 0.00 0.00 72.50 69.59 3hc4 s THR 91 CO 0.42 -0.03 1.21 0.00 -0.69 0.00 0.00 174.62 175.53 3hc4 s ALA 92 N 4.26 -2.11 -0.18 7.40 0.00 -0.68 -4.80 121.76 125.64 3hc4 s ALA 92 Ca 0.81 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 3hc4 s ALA 92 Cb -0.38 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3hc4 s ALA 92 CO 0.35 -1.06 0.43 0.08 0.00 0.00 0.00 175.76 175.56 3hc4 s VAL 93 N -2.56 5.19 -0.17 0.00 1.01 -0.45 -1.11 120.40 122.31 3hc4 s VAL 93 Ca 0.15 0.79 -0.07 0.00 0.00 0.00 0.00 61.98 62.85 3hc4 s VAL 93 Cb 0.03 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3hc4 s VAL 93 CO -0.02 0.27 0.07 -0.31 0.00 0.00 0.00 175.10 175.11 3hc4 s TYR 94 N 1.14 3.28 -0.00 5.22 2.02 0.34 -0.30 117.35 129.05 3hc4 s TYR 94 Ca 0.21 0.13 0.08 0.00 -0.37 0.00 0.00 57.07 57.12 3hc4 s TYR 94 Cb -0.15 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 3hc4 s TYR 94 CO 0.08 0.22 -0.24 0.71 -1.57 0.00 0.00 175.55 174.75 3hc4 s TYR 95 N 0.21 2.38 0.20 2.71 2.02 0.15 -0.50 117.35 124.52 3hc4 s TYR 95 Ca 0.05 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.27 3hc4 s TYR 95 Cb -0.12 -1.48 -0.07 0.00 -0.40 0.00 0.00 41.96 39.89 3hc4 s TYR 95 CO 0.00 0.05 0.49 0.00 -1.57 0.00 0.00 175.55 174.52 3hc4 s ALA 97 N -1.76 -0.74 0.34 0.00 0.00 0.27 -0.56 121.76 119.31 3hc4 s ALA 97 Ca 0.45 1.13 -0.23 0.00 0.00 0.00 0.00 51.96 53.31 3hc4 s ALA 97 Cb -0.12 -0.69 -0.10 0.00 0.00 0.00 0.00 23.12 22.21 3hc4 s ALA 97 CO 0.22 -0.21 0.90 0.50 0.00 0.00 0.00 175.76 177.18 3hc4 s ARG 98 N 1.08 4.38 0.13 0.00 3.52 0.51 -0.33 118.95 128.24 3hc4 s ARG 98 Ca -0.08 1.15 0.11 0.00 -0.13 0.00 0.00 55.73 56.78 3hc4 s ARG 98 Cb -0.08 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 3hc4 s ARG 98 CO -0.08 0.19 -0.26 -1.54 -0.81 0.00 0.00 175.30 172.80 3hc4 s SER 99 N -1.86 3.20 0.00 -2.12 1.04 -0.90 -1.38 113.70 111.69 3hc4 s SER 99 Ca 0.53 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3hc4 s SER 99 Cb -0.15 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.76 3hc4 s SER 99 CO 0.19 0.15 0.00 1.87 0.98 0.00 0.00 173.24 176.44 3hc4 n TRP 100 N 0.86 0.00 -3.92 5.02 -0.00 -1.26 -4.32 117.44 113.81 3hc4 n TRP 100 Ca -0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.02 3hc4 n TRP 100 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.70 3hc4 n TRP 100 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3hc4 s GLU 101 N -0.00 1.59 0.00 5.87 0.41 -1.26 -5.02 118.70 120.29 3hc4 s GLU 101 Ca 0.00 -2.14 0.00 0.00 -0.41 0.00 0.00 54.97 52.42 3hc4 s GLU 101 Cb 0.00 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 3hc4 s GLU 101 CO 0.00 -1.05 0.00 0.41 -0.49 0.00 0.00 175.26 174.13 3hc4 n GLY 102 N 3.73 0.40 3.42 -1.39 0.00 -1.26 -4.88 105.19 105.21 3hc4 n GLY 102 Ca 0.04 -1.87 -0.44 0.00 0.00 0.00 0.00 46.02 43.76 3hc4 n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hc4 s PHE 103 N -1.94 2.85 0.04 1.61 0.08 -1.26 -4.30 117.98 115.06 3hc4 s PHE 103 Ca 0.00 -0.70 0.04 0.00 0.12 0.00 0.00 56.93 56.40 3hc4 s PHE 103 Cb 0.00 -4.09 -0.24 0.00 -0.57 0.00 0.00 43.02 38.12 3hc4 s PHE 103 CO 0.00 -1.42 0.97 0.38 -0.10 0.00 0.00 175.22 175.05 3hc4 h ASP 104 N 9.34 0.15 -3.92 1.36 3.04 -1.56 -3.46 116.42 121.36 3hc4 h ASP 104 Ca -0.29 -0.21 -0.40 0.00 -3.24 0.00 0.00 57.03 52.89 3hc4 h ASP 104 Cb 1.08 -0.05 -0.30 0.00 -1.04 0.00 0.00 39.33 39.02 3hc4 h ASP 104 CO 1.12 1.17 -0.78 -0.31 -2.04 0.00 0.00 179.24 178.41 3hc4 s TYR 105 N -2.65 0.82 0.07 4.15 2.02 -1.24 -5.02 117.35 115.50 3hc4 s TYR 105 Ca -0.04 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.56 3hc4 s TYR 105 Cb 0.08 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 3hc4 s TYR 105 CO 0.83 -0.05 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.98 3hc4 s TRP 106 N -0.01 1.73 1.20 2.71 0.52 -1.26 -0.36 118.94 123.47 3hc4 s TRP 106 Ca 0.00 -0.39 -0.17 0.00 0.02 0.00 0.00 56.10 55.56 3hc4 s TRP 106 Cb -0.06 -0.99 0.28 0.00 -1.15 0.00 0.00 33.47 31.56 3hc4 s TRP 106 CO -0.00 0.13 1.05 0.20 0.02 0.00 0.00 176.95 178.35 3hc4 s GLY 107 N -1.50 1.53 0.03 0.98 0.00 0.27 -4.60 107.32 104.03 3hc4 s GLY 107 Ca 0.06 -0.66 0.29 0.00 0.00 0.00 0.00 44.72 44.41 3hc4 s GLY 107 CO 0.03 0.17 1.89 0.61 0.00 0.00 0.00 173.10 175.80 3hc4 n GLN 108 N -4.87 0.03 0.00 2.90 0.00 -1.26 -4.84 117.38 109.35 3hc4 n GLN 108 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 57.00 57.12 3hc4 n GLN 108 Cb 0.58 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.28 3hc4 n GLN 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hc4 n GLY 109 N 1.48 0.94 2.85 2.61 0.00 -1.26 -5.05 105.19 106.76 3hc4 n GLY 109 Ca 0.07 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 3hc4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hc4 s THR 110 N -2.57 0.73 -0.01 2.61 2.01 0.34 -4.88 115.64 113.87 3hc4 s THR 110 Ca 0.00 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 3hc4 s THR 110 Cb 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 3hc4 s THR 110 CO 0.00 0.31 1.06 -0.89 -0.69 0.00 0.00 174.62 174.41 3hc4 s THR 111 N 1.73 4.59 -0.17 -0.82 2.01 -1.26 -0.51 115.64 121.21 3hc4 s THR 111 Ca 0.03 1.86 0.01 0.00 0.31 0.00 0.00 61.69 63.90 3hc4 s THR 111 Cb -0.13 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.21 3hc4 s THR 111 CO -0.06 0.10 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.11 3hc4 s VAL 112 N 1.34 1.90 -0.20 3.82 1.01 -0.27 -0.95 120.40 127.05 3hc4 s VAL 112 Ca 0.53 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3hc4 s VAL 112 Cb -0.23 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3hc4 s VAL 112 CO 0.26 0.49 0.05 -0.89 0.00 0.00 0.00 175.10 175.00 3hc4 s THR 113 N 1.35 4.50 -0.21 3.92 2.01 -0.33 -1.69 115.64 125.19 3hc4 s THR 113 Ca 0.04 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 3hc4 s THR 113 Cb -0.13 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.35 3hc4 s THR 113 CO -0.12 0.43 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.44 3hc4 s VAL 114 N 0.70 2.70 -0.05 3.82 1.01 -1.26 -0.50 120.40 126.82 3hc4 s VAL 114 Ca 0.02 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 3hc4 s VAL 114 Cb -0.13 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.07 3hc4 s VAL 114 CO 0.02 0.40 0.70 -0.55 0.00 0.00 0.00 175.10 175.67 3hc4 s SER 115 N 1.36 -0.64 0.00 3.32 0.15 -0.28 -4.30 113.70 113.31 3hc4 s SER 115 Ca 0.04 0.68 0.30 0.00 0.70 0.00 0.00 55.95 57.67 3hc4 s SER 115 Cb -0.15 0.52 1.55 0.00 -1.71 0.00 0.00 66.02 66.24 3hc4 s SER 115 CO -0.07 -0.60 2.06 -1.20 1.20 0.00 0.00 173.24 174.63 3hc4 n SER 116 N 0.87 0.11 -4.77 5.45 7.64 -1.26 -4.04 113.62 117.63 3hc4 n SER 116 Ca -0.18 -0.45 -0.34 0.00 1.01 0.00 0.00 58.87 58.91 3hc4 n SER 116 Cb 0.57 -0.17 0.04 0.00 -1.01 0.00 0.00 64.21 63.64 3hc4 n SER 116 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hc4 s ALA 117 N -2.41 2.49 0.08 -0.43 0.00 -1.26 -5.05 121.76 115.18 3hc4 s ALA 117 Ca 0.33 0.68 0.04 0.00 0.00 0.00 0.00 51.96 53.01 3hc4 s ALA 117 Cb 0.21 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3hc4 s ALA 117 CO 0.44 -1.21 0.05 -1.12 0.00 0.00 0.00 175.76 173.92 3hc4 s SER 118 N -2.27 5.33 0.12 0.00 0.01 -1.26 -5.01 113.70 110.62 3hc4 s SER 118 Ca 0.70 -0.07 -0.35 0.00 1.31 0.00 0.00 55.95 57.54 3hc4 s SER 118 Cb -0.23 -1.38 -0.15 0.00 0.21 0.00 0.00 66.02 64.47 3hc4 s SER 118 CO 0.38 0.18 1.46 0.41 0.41 0.00 0.00 173.24 176.08 3hc4 n THR 119 N 0.54 0.00 -3.70 1.44 -1.04 -1.26 -4.68 114.28 105.59 3hc4 n THR 119 Ca -0.10 -0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.80 3hc4 n THR 119 Cb 0.52 -1.17 -0.11 0.00 -1.82 0.00 0.00 70.33 67.74 3hc4 n THR 119 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3hc4 s LYS 120 N 0.71 0.34 0.61 -2.82 2.20 -0.21 -4.94 119.74 115.63 3hc4 s LYS 120 Ca 0.82 0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 57.03 3hc4 s LYS 120 Cb -0.82 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 35.44 3hc4 s LYS 120 CO 0.42 -0.17 1.05 0.20 -0.36 0.00 0.00 175.35 176.49 3hc4 s GLY 121 N 1.48 1.99 0.47 5.54 0.00 -1.26 -0.71 107.32 114.82 3hc4 s GLY 121 Ca -0.09 0.27 -0.21 0.00 0.00 0.00 0.00 44.72 44.69 3hc4 s GLY 121 CO -0.12 0.58 1.05 2.56 0.00 0.00 0.00 173.10 177.17 3hc4 s PRO 122 N -4.35 3.86 0.14 2.90 0.04 -1.26 -4.54 135.00 131.80 3hc4 s PRO 122 Ca 0.61 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 3hc4 s PRO 122 Cb -0.14 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 3hc4 s PRO 122 CO 0.41 -0.39 0.69 -1.12 0.04 0.00 0.00 177.00 176.64 3hc4 s SER 123 N -1.84 7.23 -0.21 6.66 0.01 0.12 -4.90 113.70 120.77 3hc4 s SER 123 Ca 0.65 1.48 0.01 0.00 1.31 0.00 0.00 55.95 59.40 3hc4 s SER 123 Cb -0.19 -2.44 0.03 0.00 0.21 0.00 0.00 66.02 63.64 3hc4 s SER 123 CO 0.23 0.21 -0.15 -0.69 0.41 0.00 0.00 173.24 173.24 3hc4 s VAL 124 N -1.19 2.23 -0.02 3.43 1.01 -1.26 -0.54 120.40 124.06 3hc4 s VAL 124 Ca 0.34 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3hc4 s VAL 124 Cb -0.21 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3hc4 s VAL 124 CO 0.23 0.34 -0.16 -0.36 0.00 0.00 0.00 175.10 175.15 3hc4 s PHE 125 N 1.25 2.64 0.34 5.22 0.40 0.16 -4.95 117.98 123.04 3hc4 s PHE 125 Ca 0.01 -0.20 -0.26 0.00 -0.60 0.00 0.00 56.93 55.87 3hc4 s PHE 125 Cb -0.15 -1.57 -0.09 0.00 0.51 0.00 0.00 43.02 41.71 3hc4 s PHE 125 CO -0.09 0.19 1.04 -1.25 0.70 0.00 0.00 175.22 175.81 3hc4 s PRO 126 N -0.94 4.41 -0.73 0.24 0.04 -1.26 -0.14 135.00 136.62 3hc4 s PRO 126 Ca 0.12 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.66 3hc4 s PRO 126 Cb -0.11 -2.81 0.19 0.00 0.04 0.00 0.00 34.50 31.81 3hc4 s PRO 126 CO 0.02 0.07 0.60 -0.51 0.04 0.00 0.00 177.00 177.22 3hc4 s LEU 127 N -2.11 5.78 0.31 -3.56 1.43 0.83 -4.80 118.68 116.55 3hc4 s LEU 127 Ca 0.52 -2.93 -0.29 0.00 -1.03 0.00 0.00 54.13 50.40 3hc4 s LEU 127 Cb -0.24 -1.98 -0.10 0.00 0.03 0.00 0.00 46.19 43.90 3hc4 s LEU 127 CO 0.31 -0.41 1.21 0.00 0.23 0.00 0.00 176.35 177.69 3hc4 s ALA 128 N -0.18 3.44 0.21 4.21 0.00 -1.26 -1.20 121.76 126.98 3hc4 s ALA 128 Ca 0.19 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 3hc4 s ALA 128 Cb -0.15 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 3hc4 s ALA 128 CO -0.06 -0.42 1.27 -1.25 0.00 0.00 0.00 175.76 175.30 3hc4 s PRO 129 N -1.67 4.42 0.13 0.00 0.04 -1.26 -4.89 135.00 131.77 3hc4 s PRO 129 Ca 0.47 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3hc4 s PRO 129 Cb -0.36 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.99 3hc4 s PRO 129 CO 0.47 -0.19 0.00 0.45 0.04 0.00 0.00 177.00 177.78 3hc4 n SER 130 N 2.34 2.33 -3.59 6.66 2.88 -1.26 -3.56 113.62 119.42 3hc4 n SER 130 Ca 0.05 -1.57 -0.07 0.00 -1.33 0.00 0.00 58.87 55.95 3hc4 n SER 130 Cb 0.43 0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 3hc4 n SER 130 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hc4 s SER 131 N -1.72 -0.30 -0.04 -3.46 1.04 -1.26 -4.97 113.70 102.98 3hc4 s SER 131 Ca 0.00 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.33 3hc4 s SER 131 Cb -0.00 0.43 0.20 0.00 0.10 0.00 0.00 66.02 66.76 3hc4 s SER 131 CO 0.00 -0.74 0.94 0.61 0.98 0.00 0.00 173.24 175.03 3hc4 n GLY 137 N -0.34 1.21 3.50 7.32 0.00 -1.26 -5.25 105.19 110.38 3hc4 n GLY 137 Ca -0.08 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3hc4 n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hc4 s THR 138 N -1.56 3.60 0.01 2.61 2.01 -1.26 -0.57 115.64 120.49 3hc4 s THR 138 Ca 0.14 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.69 3hc4 s THR 138 Cb 0.10 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3hc4 s THR 138 CO 0.06 0.55 -0.06 0.00 -0.69 0.00 0.00 174.62 174.47 3hc4 s ALA 139 N -0.15 3.04 -0.06 7.40 0.00 0.53 -4.75 121.76 127.78 3hc4 s ALA 139 Ca 0.02 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 3hc4 s ALA 139 Cb -0.13 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3hc4 s ALA 139 CO 0.03 0.62 -0.03 0.00 0.00 0.00 0.00 175.76 176.38 3hc4 s ALA 140 N -1.03 3.16 0.22 0.00 0.00 -1.26 -0.65 121.76 122.20 3hc4 s ALA 140 Ca 0.18 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 3hc4 s ALA 140 Cb -0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3hc4 s ALA 140 CO 0.09 0.59 0.28 -0.48 0.00 0.00 0.00 175.76 176.24 3hc4 s LEU 141 N -1.00 0.81 0.00 0.00 0.05 -0.45 -4.01 118.68 114.08 3hc4 s LEU 141 Ca 0.14 -1.19 -0.04 0.00 0.05 0.00 0.00 54.13 53.09 3hc4 s LEU 141 Cb -0.11 0.96 0.01 0.00 -2.05 0.00 0.00 46.19 45.00 3hc4 s LEU 141 CO 0.04 -0.96 0.18 0.61 -0.55 0.00 0.00 176.35 175.66 3hc4 n GLY 142 N -0.32 0.86 2.97 -3.48 0.00 -0.34 -0.58 105.19 104.30 3hc4 n GLY 142 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 3hc4 n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hc4 s LEU 144 N 0.33 4.20 -0.50 0.00 2.96 0.80 -0.92 118.68 125.55 3hc4 s LEU 144 Ca -0.05 0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.88 3hc4 s LEU 144 Cb -0.09 -2.46 0.13 0.00 0.50 0.00 0.00 46.19 44.26 3hc4 s LEU 144 CO 0.00 -0.30 0.39 -0.69 -1.32 0.00 0.00 176.35 174.44 3hc4 s VAL 145 N 2.15 4.43 -0.04 1.68 1.01 0.12 -0.67 120.40 129.09 3hc4 s VAL 145 Ca 0.16 -1.81 0.05 0.00 0.00 0.00 0.00 61.98 60.38 3hc4 s VAL 145 Cb -0.16 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3hc4 s VAL 145 CO 0.11 -0.81 -0.20 -0.75 0.00 0.00 0.00 175.10 173.46 3hc4 s LYS 146 N 1.30 2.36 -0.79 2.72 2.20 0.29 -1.10 119.74 126.72 3hc4 s LYS 146 Ca 0.06 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.85 3hc4 s LYS 146 Cb -0.26 -2.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.81 3hc4 s LYS 146 CO -0.01 0.58 0.67 -0.25 -0.36 0.00 0.00 175.35 175.98 3hc4 n ASP 147 N 2.42 -3.49 -4.57 1.43 8.00 -0.03 -0.70 116.55 119.61 3hc4 n ASP 147 Ca -0.17 -0.46 -0.24 0.00 0.71 0.00 0.00 54.79 54.63 3hc4 n ASP 147 Cb 0.52 -3.77 -0.08 0.00 -0.02 0.00 0.00 41.12 37.76 3hc4 n ASP 147 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hc4 s TYR 148 N -3.26 2.54 -0.21 1.24 -0.85 -0.68 -4.40 117.35 111.73 3hc4 s TYR 148 Ca 0.15 -0.26 -0.19 0.00 -0.52 0.00 0.00 57.07 56.24 3hc4 s TYR 148 Cb -0.02 -1.13 0.06 0.00 0.38 0.00 0.00 41.96 41.25 3hc4 s TYR 148 CO 0.51 0.64 0.56 0.12 -1.52 0.00 0.00 175.55 175.87 3hc4 s PHE 149 N -2.33 -0.63 0.48 -3.49 2.19 0.11 -0.23 117.98 114.09 3hc4 s PHE 149 Ca 0.30 1.51 -0.04 0.00 0.33 0.00 0.00 56.93 59.03 3hc4 s PHE 149 Cb -0.06 0.22 0.10 0.00 -1.31 0.00 0.00 43.02 41.98 3hc4 s PHE 149 CO 0.18 -0.30 0.66 -0.35 1.83 0.00 0.00 175.22 177.23 3hc4 n PRO 150 N 2.87 -0.22 -1.35 10.12 -0.04 -1.26 -1.04 135.00 144.08 3hc4 n PRO 150 Ca -0.14 -1.39 -0.32 0.00 -0.04 0.00 0.00 63.50 61.61 3hc4 n PRO 150 Cb 0.56 -0.56 0.09 0.00 -0.04 0.00 0.00 33.50 33.55 3hc4 n PRO 150 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hc4 s GLU 151 N -4.27 2.22 0.42 0.54 0.41 -1.26 -4.73 118.70 112.04 3hc4 s GLU 151 Ca 0.40 1.36 0.08 0.00 -0.41 0.00 0.00 54.97 56.40 3hc4 s GLU 151 Cb -0.02 -1.88 -0.01 0.00 -1.78 0.00 0.00 34.13 30.44 3hc4 s GLU 151 CO 0.27 -1.69 0.44 -1.25 -0.49 0.00 0.00 175.26 172.54 3hc4 s PRO 152 N -4.51 2.59 0.24 0.39 0.04 -1.26 -5.01 135.00 127.48 3hc4 s PRO 152 Ca 0.65 -1.48 0.09 0.00 0.04 0.00 0.00 61.00 60.30 3hc4 s PRO 152 Cb -0.20 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 3hc4 s PRO 152 CO 0.51 -0.24 -0.04 0.14 0.04 0.00 0.00 177.00 177.40 3hc4 s VAL 153 N -2.46 3.33 -0.04 -0.36 -7.23 -1.26 -4.52 120.40 107.86 3hc4 s VAL 153 Ca 0.50 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 3hc4 s VAL 153 Cb -0.05 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 3hc4 s VAL 153 CO 0.29 -0.29 -0.18 0.42 -0.31 0.00 0.00 175.10 175.04 3hc4 s THR 154 N -2.13 2.74 -0.05 5.32 -4.23 -0.60 -4.99 115.64 111.70 3hc4 s THR 154 Ca 0.29 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 3hc4 s THR 154 Cb -0.07 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.73 3hc4 s THR 154 CO 0.18 0.59 -0.15 -0.69 -0.54 0.00 0.00 174.62 174.01 3hc4 s VAL 155 N -0.64 1.29 0.27 2.29 1.01 -1.26 -1.44 120.40 121.92 3hc4 s VAL 155 Ca 0.10 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3hc4 s VAL 155 Cb -0.11 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3hc4 s VAL 155 CO 0.00 0.38 0.07 -0.94 0.00 0.00 0.00 175.10 174.62 3hc4 s SER 156 N 0.34 1.60 -0.09 3.32 1.04 -0.45 -4.98 113.70 114.48 3hc4 s SER 156 Ca -0.09 -1.36 0.03 0.00 0.48 0.00 0.00 55.95 55.01 3hc4 s SER 156 Cb -0.13 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3hc4 s SER 156 CO 0.03 -0.67 -0.20 0.26 0.98 0.00 0.00 173.24 173.64 3hc4 s TRP 157 N -3.59 2.21 -1.49 5.02 0.52 -1.26 -0.43 118.94 119.92 3hc4 s TRP 157 Ca 0.36 -0.89 -0.08 0.00 0.02 0.00 0.00 56.10 55.51 3hc4 s TRP 157 Cb 0.08 -1.51 0.06 0.00 -1.15 0.00 0.00 33.47 30.95 3hc4 s TRP 157 CO 0.14 -0.38 0.70 0.09 0.02 0.00 0.00 176.95 177.52 3hc4 n ASN 158 N 3.62 -2.29 -2.55 2.95 3.02 0.20 -1.63 115.26 118.58 3hc4 n ASN 158 Ca -0.20 -0.91 -0.21 0.00 -0.03 0.00 0.00 54.58 53.23 3hc4 n ASN 158 Cb 0.53 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 3hc4 n ASN 158 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hc4 n SER 159 N -2.89 -5.84 0.00 6.41 7.64 -1.26 -1.76 113.62 115.92 3hc4 n SER 159 Ca -0.13 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.68 3hc4 n SER 159 Cb 0.60 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 3hc4 n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hc4 n GLY 160 N -1.12 0.84 0.19 0.23 0.00 -0.65 -4.94 105.19 99.75 3hc4 n GLY 160 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 3hc4 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hc4 h ALA 161 N 0.00 1.14 -2.86 4.61 0.00 -1.21 -3.41 119.26 117.53 3hc4 h ALA 161 Ca 0.00 -0.41 -0.69 0.00 0.00 0.00 0.00 54.91 53.82 3hc4 h ALA 161 Cb 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 17.47 3hc4 h ALA 161 CO 0.00 0.58 -0.54 -1.17 0.00 0.00 0.00 179.25 178.11 3hc4 s LEU 162 N -8.22 4.33 0.00 0.00 2.96 -0.97 -4.90 118.68 111.87 3hc4 s LEU 162 Ca -0.04 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 3hc4 s LEU 162 Cb 0.13 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.82 3hc4 s LEU 162 CO 0.76 -0.27 0.00 0.35 -1.32 0.00 0.00 176.35 175.88 3hc4 n THR 163 N 4.98 0.00 -1.86 3.68 -2.24 -1.26 -4.18 114.28 113.40 3hc4 n THR 163 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 3hc4 n THR 163 Cb 0.48 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 3hc4 n THR 163 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hc4 s SER 164 N -2.42 6.52 0.00 3.42 0.01 -1.26 -2.65 113.70 117.32 3hc4 s SER 164 Ca 0.00 2.68 0.00 0.00 1.31 0.00 0.00 55.95 59.94 3hc4 s SER 164 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3hc4 s SER 164 CO 0.00 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.37 3hc4 n GLY 165 N 3.89 0.57 3.72 3.44 0.00 -1.26 -4.73 105.19 110.81 3hc4 n GLY 165 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3hc4 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hc4 s VAL 166 N -2.42 4.86 -0.20 1.61 1.01 -1.09 -2.99 120.40 121.19 3hc4 s VAL 166 Ca 0.00 1.88 -0.00 0.00 0.00 0.00 0.00 61.98 63.85 3hc4 s VAL 166 Cb 0.00 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.20 3hc4 s VAL 166 CO 0.00 0.22 -0.04 -1.00 0.00 0.00 0.00 175.10 174.28 3hc4 s HIS 167 N 0.77 1.88 -0.37 5.22 3.76 0.24 -4.99 115.29 121.80 3hc4 s HIS 167 Ca 0.47 -1.32 -0.11 0.00 -0.15 0.00 0.00 55.06 53.95 3hc4 s HIS 167 Cb -0.20 -1.38 0.02 0.00 1.11 0.00 0.00 32.58 32.13 3hc4 s HIS 167 CO 0.25 -0.68 0.20 0.99 -0.85 0.00 0.00 174.74 174.65 3hc4 s THR 168 N 1.57 4.56 0.51 1.30 2.01 -1.26 -0.56 115.64 123.77 3hc4 s THR 168 Ca -0.02 -0.81 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 3hc4 s THR 168 Cb -0.17 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 3hc4 s THR 168 CO -0.07 -0.20 1.04 -0.36 -0.69 0.00 0.00 174.62 174.35 3hc4 s PHE 169 N 1.56 3.00 0.42 4.92 0.40 -0.67 -4.99 117.98 122.62 3hc4 s PHE 169 Ca 0.02 1.56 -0.26 0.00 -0.60 0.00 0.00 56.93 57.66 3hc4 s PHE 169 Cb -0.19 -3.05 -0.10 0.00 0.51 0.00 0.00 43.02 40.19 3hc4 s PHE 169 CO 0.07 -0.89 1.30 -2.30 0.70 0.00 0.00 175.22 174.09 3hc4 n PRO 170 N -1.21 1.99 -1.96 0.24 -0.02 -1.26 -4.67 135.00 128.11 3hc4 n PRO 170 Ca 0.09 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.92 3hc4 n PRO 170 Cb 0.53 -2.42 0.04 0.00 -0.02 0.00 0.00 33.50 31.62 3hc4 n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hc4 s ALA 171 N -1.19 2.51 -0.06 3.55 0.00 -1.26 -4.82 121.76 120.49 3hc4 s ALA 171 Ca 0.61 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.58 3hc4 s ALA 171 Cb -0.50 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 3hc4 s ALA 171 CO 0.58 -1.22 -0.21 0.08 0.00 0.00 0.00 175.76 174.99 3hc4 s VAL 172 N -1.68 2.39 -0.14 0.00 1.01 -0.45 -4.94 120.40 116.59 3hc4 s VAL 172 Ca 0.76 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 3hc4 s VAL 172 Cb -0.29 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3hc4 s VAL 172 CO 0.34 0.57 0.95 -0.22 0.00 0.00 0.00 175.10 176.74 3hc4 s LEU 173 N -0.25 4.21 0.68 3.92 2.96 -1.26 -2.01 118.68 126.94 3hc4 s LEU 173 Ca -0.00 1.39 -0.08 0.00 -0.22 0.00 0.00 54.13 55.22 3hc4 s LEU 173 Cb -0.13 -3.44 0.04 0.00 0.50 0.00 0.00 46.19 43.16 3hc4 s LEU 173 CO 0.03 -0.45 1.02 -1.10 -1.32 0.00 0.00 176.35 174.53 3hc4 s GLN 174 N 2.16 2.50 0.58 1.98 -1.52 0.48 -4.96 119.66 120.87 3hc4 s GLN 174 Ca 0.44 -0.01 0.30 0.00 -1.95 0.00 0.00 55.36 54.15 3hc4 s GLN 174 Cb -0.17 -2.14 1.76 0.00 -0.22 0.00 0.00 33.01 32.23 3hc4 s GLN 174 CO 0.15 -1.09 2.21 0.77 -0.25 0.00 0.00 175.29 177.08 3hc4 h SER 175 N -0.55 0.00 0.75 5.90 0.02 -1.96 -1.77 113.55 115.95 3hc4 h SER 175 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3hc4 h SER 175 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3hc4 h SER 175 CO 0.62 0.04 0.00 -1.54 -1.14 0.00 0.00 176.83 174.80 3hc4 n SER 176 N -3.72 0.62 0.00 3.07 3.41 -1.26 -4.88 113.62 110.86 3hc4 n SER 176 Ca -0.03 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3hc4 n SER 176 Cb 0.13 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 3hc4 n SER 176 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hc4 n GLY 177 N 0.08 0.77 3.86 5.00 0.00 -0.66 -4.97 105.19 109.27 3hc4 n GLY 177 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3hc4 n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hc4 s LEU 178 N 0.00 4.00 0.19 0.99 1.43 -1.26 -4.85 118.68 119.19 3hc4 s LEU 178 Ca 0.00 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3hc4 s LEU 178 Cb 0.00 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 3hc4 s LEU 178 CO 0.00 0.03 0.35 -0.31 0.23 0.00 0.00 176.35 176.65 3hc4 s TYR 179 N -1.84 3.48 -0.03 0.29 2.02 0.68 -0.39 117.35 121.56 3hc4 s TYR 179 Ca 0.33 0.22 -0.15 0.00 -0.37 0.00 0.00 57.07 57.09 3hc4 s TYR 179 Cb -0.10 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3hc4 s TYR 179 CO 0.26 0.42 0.33 -1.12 -1.57 0.00 0.00 175.55 173.87 3hc4 s SER 180 N -3.32 -0.23 0.13 2.29 0.01 -0.85 -0.85 113.70 110.88 3hc4 s SER 180 Ca 0.37 0.18 -0.18 0.00 1.31 0.00 0.00 55.95 57.62 3hc4 s SER 180 Cb -0.11 0.36 0.04 0.00 0.21 0.00 0.00 66.02 66.53 3hc4 s SER 180 CO 0.29 -0.43 0.45 -1.48 0.41 0.00 0.00 173.24 172.49 3hc4 s LEU 181 N -1.18 0.15 0.08 2.44 0.05 -0.26 -1.34 118.68 118.62 3hc4 s LEU 181 Ca -0.12 -0.21 0.06 0.00 0.05 0.00 0.00 54.13 53.91 3hc4 s LEU 181 Cb -0.05 2.03 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 3hc4 s LEU 181 CO 0.04 -0.87 -0.09 -0.44 -0.55 0.00 0.00 176.35 174.44 3hc4 s SER 182 N -2.72 4.43 -0.09 1.48 0.01 -1.26 0.14 113.70 115.68 3hc4 s SER 182 Ca 0.02 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 56.99 3hc4 s SER 182 Cb 0.01 -0.89 -0.00 0.00 0.21 0.00 0.00 66.02 65.35 3hc4 s SER 182 CO -0.11 0.20 -0.24 -0.55 0.41 0.00 0.00 173.24 172.95 3hc4 s SER 183 N -2.02 3.11 0.18 2.44 0.15 -0.10 -1.67 113.70 115.79 3hc4 s SER 183 Ca 0.20 -0.54 0.06 0.00 0.70 0.00 0.00 55.95 56.37 3hc4 s SER 183 Cb -0.11 -1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 62.85 3hc4 s SER 183 CO 0.12 0.18 -0.11 0.68 1.20 0.00 0.00 173.24 175.31 3hc4 s VAL 184 N 0.24 1.41 -0.09 4.45 -7.23 0.27 -0.57 120.40 118.89 3hc4 s VAL 184 Ca -0.16 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 57.77 3hc4 s VAL 184 Cb -0.17 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.82 3hc4 s VAL 184 CO 0.08 -0.65 0.30 0.54 -0.31 0.00 0.00 175.10 175.06 3hc4 s VAL 185 N -3.18 0.02 -0.14 1.32 0.11 0.25 -0.59 120.40 118.19 3hc4 s VAL 185 Ca 0.20 -0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 3hc4 s VAL 185 Cb 0.01 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3hc4 s VAL 185 CO 0.04 -0.07 0.10 0.42 -3.33 0.00 0.00 175.10 172.26 3hc4 s THR 186 N -0.21 5.18 0.10 5.04 -4.23 -1.16 -1.34 115.64 119.02 3hc4 s THR 186 Ca -0.03 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.56 3hc4 s THR 186 Cb -0.03 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 3hc4 s THR 186 CO 0.01 0.56 0.01 0.68 -0.54 0.00 0.00 174.62 175.34 3hc4 s VAL 187 N -0.52 0.23 0.23 2.29 -7.23 0.18 -4.74 120.40 110.82 3hc4 s VAL 187 Ca 0.11 -1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.10 3hc4 s VAL 187 Cb -0.12 -1.84 -0.11 0.00 0.56 0.00 0.00 36.38 34.88 3hc4 s VAL 187 CO 0.02 -0.68 1.56 -2.84 -0.31 0.00 0.00 175.10 172.85 3hc4 s PRO 188 N -3.98 4.19 0.33 4.82 0.02 -1.26 -0.34 135.00 138.77 3hc4 s PRO 188 Ca 0.17 2.44 0.07 0.00 0.02 0.00 0.00 61.00 63.70 3hc4 s PRO 188 Cb 0.07 -3.09 0.74 0.00 0.02 0.00 0.00 34.50 32.24 3hc4 s PRO 188 CO -0.03 -0.59 1.84 0.77 -0.33 0.00 0.00 177.00 178.67 3hc4 h SER 189 N 5.79 0.75 -0.21 2.53 0.02 -1.13 -0.71 113.55 120.59 3hc4 h SER 189 Ca -0.45 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 60.62 3hc4 h SER 189 Cb 1.21 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3hc4 h SER 189 CO 0.85 0.36 0.16 0.77 -1.14 0.00 0.00 176.83 177.83 3hc4 h SER 190 N 0.78 0.00 1.12 3.07 4.64 -1.90 -2.55 113.55 118.71 3hc4 h SER 190 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3hc4 h SER 190 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3hc4 h SER 190 CO -0.26 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.16 3hc4 n SER 191 N -4.32 0.37 0.23 4.97 3.41 -0.27 -4.00 113.62 114.01 3hc4 n SER 191 Ca 0.02 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.24 3hc4 n SER 191 Cb 0.31 -0.64 0.54 0.00 -0.26 0.00 0.00 64.21 64.15 3hc4 n SER 191 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hc4 h LEU 192 N 0.00 0.00 0.00 1.04 3.38 -1.55 0.58 115.31 118.76 3hc4 h LEU 192 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hc4 h LEU 192 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hc4 h LEU 192 CO 0.00 0.18 -0.08 0.61 0.09 0.00 0.00 178.44 179.24 3hc4 n GLY 193 N -0.95 -1.67 0.00 0.83 0.00 -1.26 -4.46 105.19 97.69 3hc4 n GLY 193 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3hc4 n GLY 193 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hc4 n THR 194 N -2.22 0.00 -3.64 2.61 -2.24 -0.94 -5.04 114.28 102.81 3hc4 n THR 194 Ca 0.05 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 3hc4 n THR 194 Cb 0.43 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 3hc4 n THR 194 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3hc4 s GLN 195 N -1.60 4.16 0.11 -0.78 2.00 0.15 -5.08 119.66 118.62 3hc4 s GLN 195 Ca 0.00 -0.05 -0.25 0.00 -2.00 0.00 0.00 55.36 53.06 3hc4 s GLN 195 Cb 0.00 -3.40 -0.07 0.00 0.80 0.00 0.00 33.01 30.34 3hc4 s GLN 195 CO 0.00 0.32 0.76 0.99 -0.50 0.00 0.00 175.29 176.86 3hc4 s THR 196 N 0.27 4.54 -0.18 -0.34 2.01 -1.26 -4.72 115.64 115.95 3hc4 s THR 196 Ca 0.13 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.79 3hc4 s THR 196 Cb -0.12 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.30 3hc4 s THR 196 CO 0.02 0.46 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.93 3hc4 s TYR 197 N -0.67 2.58 -0.08 4.92 1.51 -1.26 -4.95 117.35 119.39 3hc4 s TYR 197 Ca 0.37 -1.57 0.02 0.00 -1.01 0.00 0.00 57.07 54.87 3hc4 s TYR 197 Cb -0.22 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3hc4 s TYR 197 CO 0.25 -0.76 -0.13 0.42 -1.11 0.00 0.00 175.55 174.21 3hc4 s ILE 198 N 1.35 1.25 -0.05 2.71 1.01 -1.26 -0.07 121.20 126.15 3hc4 s ILE 198 Ca 0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 3hc4 s ILE 198 Cb -0.14 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 3hc4 s ILE 198 CO -0.11 0.39 0.39 0.00 0.00 0.00 0.00 174.94 175.61 3hc4 s ASN 200 N -0.58 4.63 -0.14 0.00 -0.87 0.42 -1.18 114.94 117.23 3hc4 s ASN 200 Ca 0.23 -0.50 0.02 0.00 -1.57 0.00 0.00 52.86 51.05 3hc4 s ASN 200 Cb -0.16 -1.79 0.01 0.00 -0.02 0.00 0.00 41.25 39.29 3hc4 s ASN 200 CO 0.11 -0.08 -0.22 -0.69 -2.57 0.00 0.00 177.10 173.66 3hc4 s VAL 201 N 1.49 2.03 -0.07 1.60 1.01 0.52 -1.34 120.40 125.64 3hc4 s VAL 201 Ca 0.04 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3hc4 s VAL 201 Cb -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3hc4 s VAL 201 CO -0.01 0.54 -0.15 0.20 0.00 0.00 0.00 175.10 175.68 3hc4 s ASN 202 N 0.82 3.90 -0.33 3.32 -0.87 -0.52 -0.38 114.94 120.88 3hc4 s ASN 202 Ca -0.07 -0.27 -0.01 0.00 -1.57 0.00 0.00 52.86 50.94 3hc4 s ASN 202 Cb -0.15 -1.03 0.11 0.00 -0.02 0.00 0.00 41.25 40.16 3hc4 s ASN 202 CO -0.02 0.29 0.14 -2.28 -2.57 0.00 0.00 177.10 172.66 3hc4 s HIS 203 N -0.39 1.21 0.19 2.20 2.46 -0.45 -1.56 115.29 118.96 3hc4 s HIS 203 Ca 0.04 -1.57 -0.11 0.00 0.47 0.00 0.00 55.06 53.89 3hc4 s HIS 203 Cb -0.12 -1.39 0.10 0.00 -0.13 0.00 0.00 32.58 31.03 3hc4 s HIS 203 CO 0.02 -0.85 1.76 -0.22 -2.47 0.00 0.00 174.74 172.99 3hc4 h LYS 204 N 7.84 0.96 -0.67 2.88 1.63 -1.80 -1.77 116.57 125.65 3hc4 h LYS 204 Ca -0.11 -0.15 0.17 0.00 -0.85 0.00 0.00 60.65 59.71 3hc4 h LYS 204 Cb 1.00 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 3hc4 h LYS 204 CO 0.43 0.78 0.47 -1.35 -3.45 0.00 0.00 179.45 176.33 3hc4 h PRO 205 N 0.91 0.11 -0.37 1.90 0.11 -1.93 -1.47 132.00 131.26 3hc4 h PRO 205 Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3hc4 h PRO 205 Cb 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3hc4 h PRO 205 CO -0.02 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 176.71 3hc4 n SER 206 N -4.39 3.16 -3.00 -2.05 3.41 -1.08 -4.97 113.62 104.71 3hc4 n SER 206 Ca 0.13 -1.91 -0.22 0.00 -0.26 0.00 0.00 58.87 56.60 3hc4 n SER 206 Cb 0.66 -0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3hc4 n SER 206 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hc4 n ASN 207 N 1.14 -5.80 -4.73 4.04 5.15 -0.56 -4.86 115.26 109.64 3hc4 n ASN 207 Ca 0.16 -0.27 -0.37 0.00 -0.60 0.00 0.00 54.58 53.50 3hc4 n ASN 207 Cb 0.51 -4.71 -0.07 0.00 -0.53 0.00 0.00 39.78 34.99 3hc4 n ASN 207 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hc4 s THR 208 N -3.13 5.27 -0.15 -0.44 2.01 -0.70 -5.00 115.64 113.51 3hc4 s THR 208 Ca 0.29 0.66 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 3hc4 s THR 208 Cb -0.13 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.74 3hc4 s THR 208 CO 0.35 0.38 -0.01 -0.54 -0.69 0.00 0.00 174.62 174.11 3hc4 s LYS 209 N 0.45 0.95 -0.04 4.92 1.02 -1.26 -1.34 119.74 124.45 3hc4 s LYS 209 Ca 0.19 -0.29 0.07 0.00 0.02 0.00 0.00 55.97 55.95 3hc4 s LYS 209 Cb -0.14 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 3hc4 s LYS 209 CO 0.06 -0.46 -0.24 0.08 -0.92 0.00 0.00 175.35 173.88 3hc4 s VAL 210 N 1.81 2.23 -0.12 3.17 1.01 0.48 -4.99 120.40 123.99 3hc4 s VAL 210 Ca 0.02 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3hc4 s VAL 210 Cb -0.15 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.44 3hc4 s VAL 210 CO -0.07 0.58 -0.20 -1.81 0.00 0.00 0.00 175.10 173.59 3hc4 s ASP 211 N -0.49 2.89 -0.17 3.32 1.01 -1.26 -0.35 116.67 121.61 3hc4 s ASP 211 Ca 0.06 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.79 3hc4 s ASP 211 Cb -0.11 -1.33 0.03 0.00 1.01 0.00 0.00 42.92 42.52 3hc4 s ASP 211 CO 0.01 0.08 -0.13 -0.75 0.21 0.00 0.00 175.17 174.58 3hc4 s LYS 212 N 0.78 2.20 0.03 8.23 2.47 -0.32 -4.98 119.74 128.15 3hc4 s LYS 212 Ca -0.09 -0.68 -0.30 0.00 -1.56 0.00 0.00 55.97 53.33 3hc4 s LYS 212 Cb -0.16 -2.25 -0.04 0.00 -1.46 0.00 0.00 37.83 33.92 3hc4 s LYS 212 CO 0.00 -0.32 1.09 0.21 0.16 0.00 0.00 175.35 176.50 3hc4 s LYS 213 N 1.44 4.50 -0.30 4.03 2.20 -1.26 -1.20 119.74 129.15 3hc4 s LYS 213 Ca 0.02 1.60 -0.06 0.00 -0.36 0.00 0.00 55.97 57.17 3hc4 s LYS 213 Cb -0.14 -3.40 0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3hc4 s LYS 213 CO -0.10 -0.15 0.07 0.08 -0.36 0.00 0.00 175.35 174.89 3hc4 s VAL 214 N 1.02 3.78 0.17 4.02 1.01 0.90 -4.93 120.40 126.37 3hc4 s VAL 214 Ca 0.55 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.79 3hc4 s VAL 214 Cb -0.25 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3hc4 s VAL 214 CO 0.29 0.03 -0.22 -1.83 0.00 0.00 0.00 175.10 173.37 3hc4 s GLU 215 N 1.45 1.39 0.72 2.72 -1.05 -1.26 -4.37 118.70 118.30 3hc4 s GLU 215 Ca 0.01 -1.43 -0.15 0.00 -0.15 0.00 0.00 54.97 53.25 3hc4 s GLU 215 Cb -0.18 -1.64 0.04 0.00 -0.44 0.00 0.00 34.13 31.91 3hc4 s GLU 215 CO 0.02 0.36 1.21 -2.14 0.95 0.00 0.00 175.26 175.66 3hc4 s PRO 216 N -2.57 2.17 0.00 -4.83 0.02 -1.26 -4.44 135.00 124.09 3hc4 s PRO 216 Ca 0.17 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3hc4 s PRO 216 Cb -0.08 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3hc4 s PRO 216 CO 0.08 -1.82 0.20 0.36 -0.33 0.00 0.00 177.00 175.49