#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q h VAL 3 N 0.00 1.00 0.00 0.00 3.04 -2.06 -2.93 116.25 115.30 1m4q h VAL 3 Ca 0.00 -1.87 0.00 0.00 -1.01 0.00 0.00 66.70 63.82 1m4q h VAL 3 Cb 0.00 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1m4q h VAL 3 CO 0.00 0.46 0.00 -0.24 -1.01 0.00 0.00 177.57 176.78 1m4q n SER 4 N -3.48 0.31 -0.28 3.17 2.88 -1.26 -3.76 113.62 111.20 1m4q n SER 4 Ca 0.00 0.54 0.09 0.00 -1.33 0.00 0.00 58.87 58.17 1m4q n SER 4 Cb 0.60 -0.62 0.24 0.00 -0.75 0.00 0.00 64.21 63.68 1m4q n SER 4 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1m4q h GLU 5 N 0.00 0.33 0.52 -1.46 4.22 -1.94 1.25 114.58 117.50 1m4q h GLU 5 Ca 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1m4q h GLU 5 Cb 0.54 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1m4q h GLU 5 CO 0.00 0.22 -0.28 1.03 -2.18 0.00 0.00 179.01 177.80 1m4q h SER 6 N 0.34 -0.68 0.71 1.04 0.87 -1.80 -1.83 113.55 112.19 1m4q h SER 6 Ca 0.48 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1m4q h SER 6 Cb 0.85 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1m4q h SER 6 CO -0.52 -0.46 0.00 -0.61 -0.53 0.00 0.00 176.83 174.71 1m4q h GLN 7 N -0.74 0.00 -0.78 2.24 4.15 -1.47 -2.87 115.11 115.65 1m4q h GLN 7 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1m4q h GLN 7 Cb 0.59 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1m4q h GLN 7 CO 0.09 0.00 0.49 1.25 -1.93 0.00 0.00 178.83 178.73 1m4q h LEU 8 N 0.00 0.91 -0.53 -2.39 6.46 0.24 -2.44 115.31 117.56 1m4q h LEU 8 Ca 0.00 -0.04 0.09 0.00 -0.12 0.00 0.00 57.88 57.82 1m4q h LEU 8 Cb 0.35 -0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 39.98 1m4q h LEU 8 CO 0.00 0.68 0.12 0.50 -0.62 0.00 0.00 178.44 179.12 1m4q h LYS 9 N 1.06 0.25 0.00 1.25 3.64 -1.44 0.13 116.57 121.47 1m4q h LYS 9 Ca 0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1m4q h LYS 9 Cb -0.09 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1m4q h LYS 9 CO -0.06 0.17 -0.11 0.87 -2.27 0.00 0.00 179.45 178.05 1m4q h LYS 10 N 0.26 0.00 0.00 1.90 1.57 -1.66 -2.87 116.57 115.76 1m4q h LYS 10 Ca 0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1m4q h LYS 10 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1m4q h LYS 10 CO -0.34 0.11 -0.00 1.98 -0.57 0.00 0.00 179.45 180.63 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 -0.28 -3.36 114.93 118.50 1m4q h MET 11 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1m4q h MET 11 Cb 0.66 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1m4q h MET 11 CO 0.01 0.00 0.00 1.33 0.23 0.00 0.00 176.91 178.49 1m4q n VAL 12 N -3.11 0.00 -2.66 -5.77 0.24 -1.09 -4.94 118.33 101.00 1m4q n VAL 12 Ca -0.02 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 1m4q n VAL 12 Cb 0.12 -0.81 -0.01 0.00 -1.47 0.00 0.00 33.84 31.68 1m4q n VAL 12 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1m4q n SER 13 N -1.07 -2.65 0.00 -1.34 3.41 -1.21 -4.57 113.62 106.18 1m4q n SER 13 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1m4q n SER 13 Cb 0.00 -2.30 0.00 0.00 -0.26 0.00 0.00 64.21 61.65 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1m4q n LYS 14 N -2.85 0.82 -1.44 4.33 4.76 -1.26 -5.13 118.16 117.40 1m4q n LYS 14 Ca -0.06 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.05 1m4q n LYS 14 Cb 0.55 -0.07 0.08 0.00 -1.84 0.00 0.00 35.03 33.75 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1m4q s TYR 15 N 0.00 2.42 0.40 2.13 1.51 -1.26 -4.91 117.35 117.63 1m4q s TYR 15 Ca 0.00 1.59 0.07 0.00 -1.01 0.00 0.00 57.07 57.72 1m4q s TYR 15 Cb 0.00 -3.19 0.82 0.00 -0.11 0.00 0.00 41.96 39.47 1m4q s TYR 15 CO 0.00 -1.97 2.01 -0.22 -1.11 0.00 0.00 175.55 174.25 1m4q h LYS 16 N -0.58 0.47 -2.04 -0.62 3.11 -1.94 -3.30 116.57 111.67 1m4q h LYS 16 Ca -0.45 -0.05 -0.56 0.00 -2.81 0.00 0.00 60.65 56.78 1m4q h LYS 16 Cb 1.25 -0.09 -0.38 0.00 -1.00 0.00 0.00 32.23 32.00 1m4q h LYS 16 CO 0.51 0.38 -1.07 0.66 -2.81 0.00 0.00 179.45 177.13 1m4q n TYR 17 N -4.41 -0.58 -0.24 1.91 4.01 -1.26 -4.99 117.16 111.60 1m4q n TYR 17 Ca 0.02 -3.45 0.04 0.00 -0.16 0.00 0.00 57.90 54.35 1m4q n TYR 17 Cb 0.13 -0.16 0.14 0.00 -0.31 0.00 0.00 39.34 39.14 1m4q n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1m4q h ARG 18 N 4.37 0.10 0.29 -0.72 2.43 -1.96 0.93 114.38 119.83 1m4q h ARG 18 Ca 0.11 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1m4q h ARG 18 Cb 0.89 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1m4q h ARG 18 CO 0.43 0.07 -0.21 0.38 -1.51 0.00 0.00 179.97 179.13 1m4q h ASP 19 N 0.11 -0.54 0.49 -3.80 2.03 -1.94 0.68 116.42 113.45 1m4q h ASP 19 Ca 0.39 0.04 -0.03 0.00 -0.73 0.00 0.00 57.03 56.70 1m4q h ASP 19 Cb 0.67 0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1m4q h ASP 19 CO -0.63 -0.33 -0.13 0.25 -1.03 0.00 0.00 179.24 177.37 1m4q h LEU 20 N -0.50 0.00 0.09 0.15 5.85 -1.65 -2.52 115.31 116.73 1m4q h LEU 20 Ca -0.02 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 1m4q h LEU 20 Cb 0.43 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.48 1m4q h LEU 20 CO 0.00 0.13 -0.55 0.74 -0.34 0.00 0.00 178.44 178.42 1m4q h THR 21 N 0.00 1.60 -0.43 1.05 2.02 0.16 -3.06 112.91 114.24 1m4q h THR 21 Ca -0.00 -2.46 0.05 0.00 0.77 0.00 0.00 66.41 64.77 1m4q h THR 21 Cb 0.41 3.24 -0.04 0.00 -1.74 0.00 0.00 68.15 70.02 1m4q h THR 21 CO 0.02 0.68 0.18 0.58 0.37 0.00 0.00 175.52 177.34 1m4q h VAL 22 N -0.56 0.90 -0.79 3.16 2.07 0.52 -0.48 116.25 121.07 1m4q h VAL 22 Ca -0.09 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1m4q h VAL 22 Cb 1.42 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1m4q h VAL 22 CO 0.10 0.07 0.51 -0.09 0.02 0.00 0.00 177.57 178.18 1m4q h ARG 23 N 0.36 1.01 -0.54 1.57 2.43 -1.58 -1.56 114.38 116.07 1m4q h ARG 23 Ca 0.20 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1m4q h ARG 23 Cb 0.16 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1m4q h ARG 23 CO -0.18 0.67 0.24 0.93 -1.51 0.00 0.00 179.97 180.12 1m4q h GLU 24 N 1.04 0.80 0.88 0.20 5.08 -1.27 -1.00 114.58 120.31 1m4q h GLU 24 Ca 0.30 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1m4q h GLU 24 Cb -0.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1m4q h GLU 24 CO -0.08 0.67 -0.46 1.15 -1.00 0.00 0.00 179.01 179.29 1m4q h THR 25 N 0.74 0.06 -0.76 1.13 2.02 -0.62 -2.12 112.91 113.35 1m4q h THR 25 Ca 0.18 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.47 1m4q h THR 25 Cb 0.16 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 66.55 1m4q h THR 25 CO -0.02 0.00 0.38 -0.37 0.37 0.00 0.00 175.52 175.88 1m4q h VAL 26 N -1.24 0.82 -0.91 3.16 -1.51 -1.28 -1.35 116.25 113.95 1m4q h VAL 26 Ca -0.12 -0.21 0.09 0.00 -1.23 0.00 0.00 66.70 65.23 1m4q h VAL 26 Cb 0.96 0.14 -0.07 0.00 -2.13 0.00 0.00 31.29 30.19 1m4q h VAL 26 CO 0.17 0.11 0.55 0.78 -1.23 0.00 0.00 177.57 177.96 1m4q h ASN 27 N 0.62 0.83 -0.05 4.19 4.21 -1.03 0.96 115.58 125.31 1m4q h ASN 27 Ca 0.38 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.93 1m4q h ASN 27 Cb 0.44 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1m4q h ASN 27 CO -0.29 0.48 0.02 0.58 -1.29 0.00 0.00 177.43 176.93 1m4q h VAL 28 N 0.94 1.13 -0.03 2.81 2.07 -0.56 -1.00 116.25 121.60 1m4q h VAL 28 Ca 0.42 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 1m4q h VAL 28 Cb 0.33 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1m4q h VAL 28 CO -0.23 0.11 -0.67 0.16 0.02 0.00 0.00 177.57 176.96 1m4q h ILE 29 N -0.08 1.44 0.00 4.57 3.07 -1.06 -1.12 117.51 124.33 1m4q h ILE 29 Ca 0.02 -2.19 -0.09 0.00 1.55 0.00 0.00 64.86 64.15 1m4q h ILE 29 Cb 0.16 2.16 -0.01 0.00 -0.27 0.00 0.00 36.82 38.86 1m4q h ILE 29 CO -0.00 0.64 -0.42 0.74 -1.05 0.00 0.00 178.15 178.05 1m4q h THR 30 N 0.10 1.28 0.07 0.16 2.02 0.11 0.95 112.91 117.60 1m4q h THR 30 Ca -0.01 -1.46 -0.25 0.00 0.77 0.00 0.00 66.41 65.46 1m4q h THR 30 Cb 1.20 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1m4q h THR 30 CO 0.10 0.41 -1.33 0.25 0.37 0.00 0.00 175.52 175.32 1m4q h LEU 31 N 0.00 0.23 0.00 2.58 5.85 -1.08 -3.41 115.31 119.48 1m4q h LEU 31 Ca -0.00 -0.76 -0.05 0.00 0.84 0.00 0.00 57.88 57.90 1m4q h LEU 31 Cb 0.76 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1m4q h LEU 31 CO 0.05 1.56 -0.29 1.88 -0.34 0.00 0.00 178.44 181.31 1m4q h TYR 32 N -0.54 0.00 0.00 1.25 0.05 -1.23 -3.48 116.97 113.02 1m4q h TYR 32 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1m4q h TYR 32 Cb 1.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.32 1m4q h TYR 32 CO 0.12 0.86 0.00 0.36 -1.05 0.00 0.00 178.16 178.45 1m4q n LYS 33 N -4.60 -0.09 -0.02 4.88 2.85 0.33 -4.79 118.16 116.71 1m4q n LYS 33 Ca -0.13 0.02 0.01 0.00 -1.05 0.00 0.00 58.31 57.17 1m4q n LYS 33 Cb 0.42 -2.96 -0.07 0.00 -0.65 0.00 0.00 35.03 31.77 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1m4q n ASP 34 N -0.05 2.97 -4.89 -5.58 8.00 -1.26 -5.02 116.55 110.73 1m4q n ASP 34 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1m4q n ASP 34 Cb 0.02 1.14 -0.00 0.00 -0.02 0.00 0.00 41.12 42.26 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1m4q s LEU 35 N -3.98 3.57 -0.16 0.64 2.96 -1.26 -3.79 118.68 116.65 1m4q s LEU 35 Ca -0.04 1.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.91 1m4q s LEU 35 Cb 0.04 -4.06 0.08 0.00 0.50 0.00 0.00 46.19 42.75 1m4q s LEU 35 CO 0.36 -0.62 0.34 -0.54 -1.32 0.00 0.00 176.35 174.57 1m4q s LYS 36 N -4.68 0.24 0.04 1.98 1.02 0.98 -4.75 119.74 114.57 1m4q s LYS 36 Ca 0.50 0.88 -0.30 0.00 0.02 0.00 0.00 55.97 57.07 1m4q s LYS 36 Cb -0.10 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.26 1m4q s LYS 36 CO 0.44 -0.26 1.92 -1.25 -0.92 0.00 0.00 175.35 175.28 1m4q s PRO 37 N 2.45 4.15 -0.00 -1.68 0.04 -1.26 -2.88 135.00 135.81 1m4q s PRO 37 Ca -0.01 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1m4q s PRO 37 Cb -0.12 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 1m4q s PRO 37 CO -0.11 -0.93 0.04 0.54 0.04 0.00 0.00 177.00 176.58 1m4q s VAL 38 N 4.24 4.46 0.08 -0.36 0.11 0.30 -4.97 120.40 124.26 1m4q s VAL 38 Ca 0.86 -0.50 -0.13 0.00 -2.93 0.00 0.00 61.98 59.29 1m4q s VAL 38 Cb -0.42 -3.01 -0.06 0.00 -1.53 0.00 0.00 36.38 31.36 1m4q s VAL 38 CO 0.40 0.37 0.46 -0.22 -3.33 0.00 0.00 175.10 172.77 1m4q s LEU 39 N -1.64 4.38 0.17 2.54 1.98 -1.26 0.07 118.68 124.93 1m4q s LEU 39 Ca 0.21 0.95 -0.19 0.00 -2.89 0.00 0.00 54.13 52.21 1m4q s LEU 39 Cb -0.12 -2.98 0.04 0.00 0.66 0.00 0.00 46.19 43.80 1m4q s LEU 39 CO 0.12 0.19 0.53 -0.62 -1.89 0.00 0.00 176.35 174.68 1m4q s ASP 40 N -1.56 -0.36 -0.28 3.68 -1.08 -0.91 -4.87 116.67 111.29 1m4q s ASP 40 Ca 0.32 -0.29 -0.18 0.00 -0.52 0.00 0.00 52.55 51.88 1m4q s ASP 40 Cb -0.15 0.57 0.11 0.00 -1.46 0.00 0.00 42.92 41.99 1m4q s ASP 40 CO 0.17 -1.00 0.85 -0.55 0.52 0.00 0.00 175.17 175.16 1m4q s SER 41 N -2.82 -0.70 0.17 -0.34 0.15 -1.25 0.18 113.70 109.10 1m4q s SER 41 Ca 0.05 1.16 -0.01 0.00 0.70 0.00 0.00 55.95 57.85 1m4q s SER 41 Cb -0.01 1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 65.52 1m4q s SER 41 CO -0.08 -0.19 0.10 -0.47 1.20 0.00 0.00 173.24 173.81 1m4q s TYR 42 N 1.21 1.03 0.24 3.44 5.04 -1.14 -4.78 117.35 122.39 1m4q s TYR 42 Ca -0.07 -1.32 -0.20 0.00 -2.44 0.00 0.00 57.07 53.05 1m4q s TYR 42 Cb -0.04 -0.52 -0.08 0.00 0.35 0.00 0.00 41.96 41.66 1m4q s TYR 42 CO -0.14 -0.60 0.74 0.14 -1.34 0.00 0.00 175.55 174.36 1m4q s VAL 43 N -4.11 4.55 0.12 3.14 -7.23 -1.26 -0.34 120.40 115.26 1m4q s VAL 43 Ca 0.33 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.80 1m4q s VAL 43 Cb 0.07 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1m4q s VAL 43 CO 0.08 0.17 0.00 0.49 -0.31 0.00 0.00 175.10 175.53 1m4q n PHE 44 N 0.62 -1.60 -1.52 2.82 3.72 -1.11 -4.72 117.46 115.67 1m4q n PHE 44 Ca -0.01 0.27 -0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1m4q n PHE 44 Cb 0.51 0.89 -0.10 0.00 -0.94 0.00 0.00 39.48 39.85 1m4q n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1m4q n ASN 45 N -2.82 1.04 -1.95 4.37 3.02 -1.26 -2.96 115.26 114.70 1m4q n ASN 45 Ca 0.00 -1.88 -0.13 0.00 -0.03 0.00 0.00 54.58 52.54 1m4q n ASN 45 Cb 0.00 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 37.61 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1m4q n ASP 46 N 17.31 -3.70 -0.28 6.41 8.00 -1.26 -3.49 116.55 139.54 1m4q n ASP 46 Ca 0.42 0.24 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1m4q n ASP 46 Cb 0.43 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 1m4q n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m4q n GLY 47 N -0.55 0.52 3.07 0.44 0.00 -1.16 -5.13 105.19 102.39 1m4q n GLY 47 Ca -0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4q s SER 48 N -0.97 -0.81 0.36 1.61 0.15 -1.23 -4.85 113.70 107.96 1m4q s SER 48 Ca 0.00 0.64 -0.26 0.00 0.70 0.00 0.00 55.95 57.03 1m4q s SER 48 Cb 0.00 1.80 -0.12 0.00 -1.71 0.00 0.00 66.02 65.98 1m4q s SER 48 CO 0.00 -0.27 1.00 -1.54 1.20 0.00 0.00 173.24 173.63 1m4q n SER 49 N 5.41 1.26 -3.97 5.45 3.41 -1.25 -2.74 113.62 121.18 1m4q n SER 49 Ca -0.02 1.10 -0.16 0.00 -0.26 0.00 0.00 58.87 59.53 1m4q n SER 49 Cb 0.51 -1.32 -0.14 0.00 -0.26 0.00 0.00 64.21 62.99 1m4q n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1m4q s ARG 50 N -1.78 0.46 -1.09 4.33 3.52 0.53 -4.88 118.95 120.06 1m4q s ARG 50 Ca 0.61 -0.24 -0.24 0.00 -0.13 0.00 0.00 55.73 55.73 1m4q s ARG 50 Cb -0.62 -0.43 -0.09 0.00 -1.56 0.00 0.00 34.95 32.24 1m4q s ARG 50 CO 0.59 0.12 1.97 -1.21 -0.81 0.00 0.00 175.30 175.96 1m4q s GLU 51 N -0.22 2.34 -0.47 5.12 8.01 -1.26 -2.90 118.70 129.32 1m4q s GLU 51 Ca 0.01 -0.80 -0.15 0.00 0.01 0.00 0.00 54.97 54.04 1m4q s GLU 51 Cb -0.03 -5.15 0.07 0.00 -4.31 0.00 0.00 34.13 24.71 1m4q s GLU 51 CO -0.00 -4.00 0.39 -1.17 0.01 0.00 0.00 175.26 170.48 1m4q s LEU 52 N 11.53 5.58 0.60 1.80 0.20 0.13 -4.95 118.68 133.56 1m4q s LEU 52 Ca 0.71 -1.29 -0.10 0.00 0.69 0.00 0.00 54.13 54.14 1m4q s LEU 52 Cb -0.03 -2.18 -0.04 0.00 -0.43 0.00 0.00 46.19 43.51 1m4q s LEU 52 CO 0.10 -0.63 1.00 -0.32 -0.29 0.00 0.00 176.35 176.21 1m4q s MET 53 N 1.64 3.56 0.26 1.98 -2.45 -1.25 -2.15 119.30 120.90 1m4q s MET 53 Ca 0.04 0.67 -0.08 0.00 -1.25 0.00 0.00 55.69 55.07 1m4q s MET 53 Cb -0.24 -2.12 -0.01 0.00 1.25 0.00 0.00 34.83 33.72 1m4q s MET 53 CO 0.07 -0.54 0.41 0.54 1.05 0.00 0.00 175.02 176.55 1m4q s ASN 54 N -4.18 0.22 0.00 1.11 4.22 0.11 -1.44 114.94 114.99 1m4q s ASN 54 Ca 0.54 -1.17 0.03 0.00 -2.14 0.00 0.00 52.86 50.12 1m4q s ASN 54 Cb -0.11 0.57 -0.01 0.00 1.28 0.00 0.00 41.25 42.98 1m4q s ASN 54 CO 0.53 -1.12 -0.09 -0.76 -2.04 0.00 0.00 177.10 173.61 1m4q s LEU 55 N -3.11 2.06 0.31 3.54 1.43 0.86 0.11 118.68 123.88 1m4q s LEU 55 Ca 0.28 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1m4q s LEU 55 Cb 0.01 -0.43 -0.00 0.00 0.03 0.00 0.00 46.19 45.80 1m4q s LEU 55 CO 0.13 0.07 0.43 0.28 0.23 0.00 0.00 176.35 177.49 1m4q s THR 56 N -0.39 0.00 0.00 5.49 -1.32 -1.14 -0.23 115.64 118.06 1m4q s THR 56 Ca 0.02 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 1m4q s THR 56 Cb -0.04 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 1m4q s THR 56 CO -0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1m4q n GLY 57 N -0.51 3.95 3.60 6.08 0.00 -0.29 -0.01 105.19 118.01 1m4q n GLY 57 Ca 0.01 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 1m4q n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4q s THR 58 N -2.09 5.05 -0.06 2.61 -4.23 -1.25 -1.49 115.64 114.18 1m4q s THR 58 Ca 0.00 0.74 -0.15 0.00 -1.18 0.00 0.00 61.69 61.10 1m4q s THR 58 Cb 0.00 -3.87 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 1m4q s THR 58 CO 0.00 -0.00 0.39 -0.63 -0.54 0.00 0.00 174.62 173.84 1m4q s ILE 59 N 2.35 5.13 -0.13 2.99 1.01 0.37 -4.62 121.20 128.30 1m4q s ILE 59 Ca 0.21 0.78 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 1m4q s ILE 59 Cb -0.15 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1m4q s ILE 59 CO 0.10 0.49 1.69 -2.16 0.00 0.00 0.00 174.94 175.07 1m4q s PRO 60 N -0.43 3.94 -0.38 2.79 0.04 -1.26 -1.01 135.00 138.69 1m4q s PRO 60 Ca 0.22 1.97 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1m4q s PRO 60 Cb -0.15 -4.04 0.06 0.00 0.04 0.00 0.00 34.50 30.40 1m4q s PRO 60 CO 0.11 -1.13 0.18 0.08 0.04 0.00 0.00 177.00 176.27 1m4q s VAL 61 N 4.86 3.97 0.06 -0.36 1.01 0.27 -4.92 120.40 125.29 1m4q s VAL 61 Ca 0.75 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.15 1m4q s VAL 61 Cb -0.30 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1m4q s VAL 61 CO 0.30 -0.34 1.23 -2.16 0.00 0.00 0.00 175.10 174.14 1m4q s PRO 62 N 1.40 4.41 0.00 2.72 0.04 -1.26 -1.18 135.00 141.13 1m4q s PRO 62 Ca 0.01 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1m4q s PRO 62 Cb -0.21 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1m4q s PRO 62 CO 0.02 -0.30 0.00 0.98 0.04 0.00 0.00 177.00 177.75 1m4q n TYR 63 N 4.02 0.00 -1.35 0.56 9.36 0.20 -4.60 117.16 125.35 1m4q n TYR 63 Ca 0.09 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.06 1m4q n TYR 63 Cb 0.46 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.08 1m4q n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4q n ARG 64 N 0.00 2.77 0.00 2.98 1.74 -1.26 -4.04 116.66 118.84 1m4q n ARG 64 Ca 0.00 -1.98 0.00 0.00 -0.77 0.00 0.00 57.85 55.10 1m4q n ARG 64 Cb 0.00 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.18 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4q n GLY 65 N 2.03 1.10 1.34 -0.13 0.00 -1.26 -5.12 105.19 103.14 1m4q n GLY 65 Ca 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 1m4q n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m4q n ASN 66 N 0.00 -0.36 -3.30 1.61 5.03 -1.26 -5.16 115.26 111.82 1m4q n ASN 66 Ca 0.00 -1.88 0.01 0.00 0.87 0.00 0.00 54.58 53.58 1m4q n ASN 66 Cb 0.00 0.77 -0.03 0.00 -1.02 0.00 0.00 39.78 39.51 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1m4q s THR 67 N -2.56 -0.94 0.16 3.41 2.01 -1.26 0.62 115.64 117.08 1m4q s THR 67 Ca 0.15 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1m4q s THR 67 Cb 0.01 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.58 1m4q s THR 67 CO 0.11 -0.01 0.22 -1.22 -0.69 0.00 0.00 174.62 173.03 1m4q n TYR 68 N 5.43 -2.92 -3.88 4.92 4.02 -0.33 -4.79 117.16 119.61 1m4q n TYR 68 Ca -0.04 -0.53 -0.30 0.00 -0.01 0.00 0.00 57.90 57.02 1m4q n TYR 68 Cb 0.50 -0.16 -0.14 0.00 -0.02 0.00 0.00 39.34 39.53 1m4q n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4q s ASN 69 N -1.97 4.25 0.08 7.72 0.01 -1.26 -0.57 114.94 123.21 1m4q s ASN 69 Ca 0.16 -2.40 -0.30 0.00 -0.71 0.00 0.00 52.86 49.61 1m4q s ASN 69 Cb -0.01 -1.35 -0.06 0.00 0.41 0.00 0.00 41.25 40.24 1m4q s ASN 69 CO 0.10 -0.32 1.17 -0.51 -1.51 0.00 0.00 177.10 176.03 1m4q s ILE 70 N 0.59 4.04 0.36 0.60 1.10 -0.18 -4.69 121.20 123.02 1m4q s ILE 70 Ca 0.14 1.52 -0.26 0.00 -0.51 0.00 0.00 60.65 61.54 1m4q s ILE 70 Cb -0.22 -3.97 -0.09 0.00 0.15 0.00 0.00 42.46 38.33 1m4q s ILE 70 CO -0.07 0.15 1.11 -2.16 -2.11 0.00 0.00 174.94 171.86 1m4q s PRO 71 N 0.73 4.26 -0.04 3.50 0.04 -1.26 -0.48 135.00 141.75 1m4q s PRO 71 Ca 0.56 1.73 -0.07 0.00 0.04 0.00 0.00 61.00 63.26 1m4q s PRO 71 Cb -0.29 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.47 1m4q s PRO 71 CO 0.31 -0.11 0.18 0.42 0.04 0.00 0.00 177.00 177.84 1m4q s ILE 72 N -1.41 0.04 -0.29 0.56 -1.09 -0.55 -4.08 121.20 114.36 1m4q s ILE 72 Ca 0.53 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.63 1m4q s ILE 72 Cb -0.28 -0.36 0.17 0.00 -1.58 0.00 0.00 42.46 40.41 1m4q s ILE 72 CO 0.36 -0.16 0.59 0.00 -1.23 0.00 0.00 174.94 174.50 1m4q s LEU 74 N 2.84 2.23 0.87 0.00 2.34 0.68 -2.26 118.68 125.39 1m4q s LEU 74 Ca 0.15 -0.49 -0.13 0.00 0.06 0.00 0.00 54.13 53.73 1m4q s LEU 74 Cb -0.14 -0.06 0.12 0.00 -0.56 0.00 0.00 46.19 45.54 1m4q s LEU 74 CO -0.20 -0.22 1.19 0.26 -1.06 0.00 0.00 176.35 176.32 1m4q s TRP 75 N -1.29 2.53 -0.35 3.48 0.52 -1.08 -0.10 118.94 122.64 1m4q s TRP 75 Ca -0.11 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.71 1m4q s TRP 75 Cb -0.09 -3.58 0.15 0.00 -1.15 0.00 0.00 33.47 28.79 1m4q s TRP 75 CO -0.00 -2.13 0.32 -1.17 0.02 0.00 0.00 176.95 173.98 1m4q s LEU 76 N -5.78 0.20 1.09 2.99 2.96 -0.52 -4.62 118.68 114.99 1m4q s LEU 76 Ca 0.65 -1.63 -0.15 0.00 -0.22 0.00 0.00 54.13 52.77 1m4q s LEU 76 Cb -0.11 0.29 0.23 0.00 0.50 0.00 0.00 46.19 47.11 1m4q s LEU 76 CO 0.51 -0.29 1.10 -0.76 -1.32 0.00 0.00 176.35 175.59 1m4q s LEU 77 N 1.46 1.18 0.13 -0.68 2.01 -1.26 -4.25 118.68 117.27 1m4q s LEU 77 Ca 0.16 0.94 -0.17 0.00 0.01 0.00 0.00 54.13 55.07 1m4q s LEU 77 Cb -0.17 -2.93 -0.03 0.00 0.01 0.00 0.00 46.19 43.07 1m4q s LEU 77 CO -0.07 -3.58 1.70 0.44 1.01 0.00 0.00 176.35 175.85 1m4q h ASP 78 N -2.20 0.45 0.00 2.29 3.32 -1.96 -3.44 116.42 114.87 1m4q h ASP 78 Ca -0.51 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1m4q h ASP 78 Cb 1.32 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1m4q h ASP 78 CO 0.48 0.45 0.00 1.07 -1.72 0.00 0.00 179.24 179.53 1m4q n THR 79 N -4.74 0.00 -3.64 0.35 5.66 -1.26 -4.16 114.28 106.49 1m4q n THR 79 Ca -0.01 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.91 1m4q n THR 79 Cb 0.11 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.82 1m4q n THR 79 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1m4q s TYR 80 N 0.00 -0.56 0.00 1.09 5.04 -1.26 -4.81 117.35 116.85 1m4q s TYR 80 Ca 0.00 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 1m4q s TYR 80 Cb 0.00 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.68 1m4q s TYR 80 CO 0.00 -0.27 0.33 -0.35 -1.34 0.00 0.00 175.55 173.91 1m4q n PRO 81 N 2.70 0.00 -0.01 4.97 -0.04 -1.26 -4.62 135.00 136.73 1m4q n PRO 81 Ca -0.14 0.50 -0.01 0.00 -0.04 0.00 0.00 63.50 63.81 1m4q n PRO 81 Cb 0.56 -1.16 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1m4q n PRO 81 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1m4q h TYR 82 N 0.00 0.00 0.00 0.54 3.20 -2.03 -3.50 116.97 115.19 1m4q h TYR 82 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1m4q h TYR 82 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1m4q h TYR 82 CO 0.07 0.00 0.00 -1.71 -1.64 0.00 0.00 178.16 174.88 1m4q n ASN 83 N -2.61 -1.00 -4.61 -2.11 5.15 -1.26 -4.96 115.26 103.86 1m4q n ASN 83 Ca -0.01 0.28 -0.43 0.00 -0.60 0.00 0.00 54.58 53.83 1m4q n ASN 83 Cb 0.03 1.15 -0.02 0.00 -0.53 0.00 0.00 39.78 40.41 1m4q n ASN 83 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1m4q s PRO 84 N -2.00 3.74 -0.04 1.20 0.02 -1.26 -4.79 135.00 131.87 1m4q s PRO 84 Ca 0.00 0.88 -0.20 0.00 0.02 0.00 0.00 61.00 61.70 1m4q s PRO 84 Cb 0.00 -3.93 -0.32 0.00 0.02 0.00 0.00 34.50 30.27 1m4q s PRO 84 CO 0.00 -1.35 0.87 -1.00 -0.33 0.00 0.00 177.00 175.19 1m4q h PRO 85 N 9.64 0.35 0.00 5.54 0.13 -1.83 -3.43 132.00 142.41 1m4q h PRO 85 Ca -0.25 -0.61 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1m4q h PRO 85 Cb 1.08 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1m4q h PRO 85 CO 1.09 1.29 0.00 -0.89 -0.23 0.00 0.00 178.00 179.26 1m4q n ILE 86 N -3.99 0.00 -3.77 -3.56 5.41 -1.26 -5.01 119.36 107.17 1m4q n ILE 86 Ca -0.16 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.46 1m4q n ILE 86 Cb 0.91 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.71 1m4q n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1m4q s PHE 88 N 0.59 0.49 0.12 0.00 -0.71 -0.96 -2.38 117.98 115.13 1m4q s PHE 88 Ca -0.04 -0.85 -0.00 0.00 -1.04 0.00 0.00 56.93 54.99 1m4q s PHE 88 Cb -0.05 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 1m4q s PHE 88 CO -0.03 -0.69 0.29 0.54 -1.34 0.00 0.00 175.22 173.99 1m4q s VAL 89 N -3.99 5.30 -0.78 -2.49 0.11 0.23 -2.22 120.40 116.56 1m4q s VAL 89 Ca 0.19 -0.38 -0.08 0.00 -2.93 0.00 0.00 61.98 58.78 1m4q s VAL 89 Cb 0.04 -3.68 0.20 0.00 -1.53 0.00 0.00 36.38 31.42 1m4q s VAL 89 CO 0.01 0.01 0.67 -0.54 -3.33 0.00 0.00 175.10 171.92 1m4q s LYS 90 N -2.86 3.22 -0.13 1.54 -0.14 -1.26 -4.72 119.74 115.38 1m4q s LYS 90 Ca 0.37 -2.66 -0.29 0.00 -1.36 0.00 0.00 55.97 52.02 1m4q s LYS 90 Cb -0.12 -4.11 -0.01 0.00 -1.68 0.00 0.00 37.83 31.91 1m4q s LYS 90 CO 0.28 -1.24 1.11 -1.25 -0.76 0.00 0.00 175.35 173.49 1m4q s PRO 91 N -0.24 4.34 0.75 -1.68 0.04 -1.26 -4.73 135.00 132.21 1m4q s PRO 91 Ca 0.20 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1m4q s PRO 91 Cb -0.14 -3.60 0.04 0.00 0.04 0.00 0.00 34.50 30.84 1m4q s PRO 91 CO -0.07 -0.48 1.13 0.95 0.04 0.00 0.00 177.00 178.56 1m4q s THR 92 N 2.57 2.90 0.31 1.26 -4.23 -1.26 -4.90 115.64 112.28 1m4q s THR 92 Ca 0.51 0.29 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1m4q s THR 92 Cb -0.20 -3.27 0.29 0.00 1.34 0.00 0.00 72.50 70.66 1m4q s THR 92 CO 0.16 -0.38 1.87 0.28 -0.54 0.00 0.00 174.62 176.01 1m4q h SER 93 N -0.84 0.86 -0.03 3.99 0.02 -2.06 0.74 113.55 116.23 1m4q h SER 93 Ca -0.46 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1m4q h SER 93 Cb 1.28 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1m4q h SER 93 CO 0.64 0.48 0.00 -1.20 -1.14 0.00 0.00 176.83 175.62 1m4q n SER 94 N -4.56 1.24 -4.96 3.07 7.64 -1.26 -4.90 113.62 109.89 1m4q n SER 94 Ca 0.17 -1.45 -0.22 0.00 1.01 0.00 0.00 58.87 58.38 1m4q n SER 94 Cb 0.33 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1m4q n SER 94 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1m4q s MET 95 N -1.97 2.98 -0.12 1.43 0.00 0.25 -3.67 119.30 118.20 1m4q s MET 95 Ca 0.38 -0.59 -0.03 0.00 0.00 0.00 0.00 55.69 55.46 1m4q s MET 95 Cb 0.20 -2.57 0.04 0.00 0.00 0.00 0.00 34.83 32.51 1m4q s MET 95 CO 0.33 -0.32 0.04 0.99 0.00 0.00 0.00 175.02 176.06 1m4q s THR 96 N -2.56 0.23 0.22 10.11 2.01 -1.23 -4.75 115.64 119.67 1m4q s THR 96 Ca 0.50 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 1m4q s THR 96 Cb -0.10 -0.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 1m4q s THR 96 CO 0.37 0.01 1.25 -0.63 -0.69 0.00 0.00 174.62 174.93 1m4q s ILE 97 N 2.01 3.31 -0.34 1.82 1.01 -1.26 -2.57 121.20 125.18 1m4q s ILE 97 Ca 0.03 1.13 -0.08 0.00 0.00 0.00 0.00 60.65 61.73 1m4q s ILE 97 Cb -0.14 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1m4q s ILE 97 CO -0.06 0.20 0.14 -0.75 0.00 0.00 0.00 174.94 174.46 1m4q s LYS 98 N -0.48 2.80 0.78 2.79 2.36 0.22 -4.94 119.74 123.28 1m4q s LYS 98 Ca 0.53 -1.08 -0.11 0.00 -2.55 0.00 0.00 55.97 52.77 1m4q s LYS 98 Cb -0.35 -3.56 0.06 0.00 -1.05 0.00 0.00 37.83 32.94 1m4q s LYS 98 CO 0.40 -0.64 1.09 0.95 1.55 0.00 0.00 175.35 178.70 1m4q s THR 99 N 1.48 3.29 -5.00 3.43 -4.23 -1.26 -4.60 115.64 108.75 1m4q s THR 99 Ca 0.01 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1m4q s THR 99 Cb -0.19 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1m4q s THR 99 CO 0.04 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 1m4q n GLY 100 N -1.29 -1.46 0.35 3.99 0.00 -0.46 -4.83 105.19 101.49 1m4q n GLY 100 Ca 0.09 -1.51 0.18 0.00 0.00 0.00 0.00 46.02 44.78 1m4q n GLY 100 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1m4q h LYS 101 N 2.03 0.00 -0.01 1.61 2.10 -1.94 0.22 116.57 120.57 1m4q h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1m4q h LYS 101 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1m4q h LYS 101 CO 0.00 0.00 -0.35 0.72 -2.00 0.00 0.00 179.45 177.82 1m4q n HIS 102 N -3.32 0.00 -3.63 0.07 8.25 -1.26 -4.58 115.22 110.74 1m4q n HIS 102 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 1m4q n HIS 102 Cb 0.38 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 1m4q n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4q s VAL 103 N -2.41 0.02 -0.03 1.59 1.01 0.78 -2.86 120.40 118.49 1m4q s VAL 103 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1m4q s VAL 103 Cb 0.19 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 1m4q s VAL 103 CO 0.52 -0.11 -0.03 0.44 0.00 0.00 0.00 175.10 175.92 1m4q h ASP 104 N 3.55 0.00 0.00 3.32 5.19 -1.73 -1.21 116.42 125.53 1m4q h ASP 104 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1m4q h ASP 104 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1m4q h ASP 104 CO 0.37 0.18 0.00 0.00 -3.12 0.00 0.00 179.24 176.67 1m4q n ALA 105 N -2.45 0.00 0.19 3.45 0.00 -1.26 -4.58 120.51 115.85 1m4q n ALA 105 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1m4q n ALA 105 Cb 0.04 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.74 1m4q n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4q n ASN 106 N 0.00 3.09 0.00 0.00 3.02 -1.26 -4.89 115.26 115.22 1m4q n ASN 106 Ca 0.00 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.49 1m4q n ASN 106 Cb 0.00 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m4q n GLY 107 N 1.30 0.54 3.77 7.41 0.00 -1.26 -4.87 105.19 112.08 1m4q n GLY 107 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1m4q n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m4q s LYS 108 N -0.82 3.65 -0.18 1.61 1.02 -1.26 0.75 119.74 124.51 1m4q s LYS 108 Ca 0.00 1.82 -0.29 0.00 0.02 0.00 0.00 55.97 57.53 1m4q s LYS 108 Cb 0.00 -2.36 -0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1m4q s LYS 108 CO 0.00 -0.65 0.99 0.42 -0.92 0.00 0.00 175.35 175.19 1m4q s ILE 109 N -1.53 4.75 -1.11 2.17 1.01 -1.00 -3.20 121.20 122.30 1m4q s ILE 109 Ca 0.65 1.97 -0.07 0.00 0.00 0.00 0.00 60.65 63.20 1m4q s ILE 109 Cb -0.30 -4.28 0.29 0.00 0.01 0.00 0.00 42.46 38.18 1m4q s ILE 109 CO 0.36 -0.08 1.35 0.00 0.00 0.00 0.00 174.94 176.56 1m4q n TYR 110 N 5.67 3.62 -3.81 3.97 9.36 -1.14 -4.93 117.16 129.91 1m4q n TYR 110 Ca 0.10 -3.17 -0.12 0.00 3.32 0.00 0.00 57.90 58.03 1m4q n TYR 110 Cb 0.47 -1.50 -0.11 0.00 -0.63 0.00 0.00 39.34 37.58 1m4q n TYR 110 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1m4q s LEU 111 N -1.96 1.20 0.03 2.98 1.43 -1.26 -4.27 118.68 116.82 1m4q s LEU 111 Ca 0.32 0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 53.40 1m4q s LEU 111 Cb -0.01 0.83 -0.18 0.00 0.03 0.00 0.00 46.19 46.86 1m4q s LEU 111 CO 0.02 -0.21 1.48 1.55 0.23 0.00 0.00 176.35 179.42 1m4q h PRO 112 N 5.11 -0.06 0.00 1.29 0.13 -1.96 -3.46 132.00 133.05 1m4q h PRO 112 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1m4q h PRO 112 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1m4q h PRO 112 CO 0.38 0.19 0.00 0.66 -0.23 0.00 0.00 178.00 179.00 1m4q n TYR 113 N -5.00 0.00 -0.04 1.56 4.01 -1.26 -3.29 117.16 113.14 1m4q n TYR 113 Ca -0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.52 1m4q n TYR 113 Cb 0.16 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.10 1m4q n TYR 113 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1m4q h LEU 114 N 0.00 0.24 -2.33 7.72 6.46 -1.91 0.88 115.31 126.37 1m4q h LEU 114 Ca 0.00 -0.54 -0.01 0.00 -0.12 0.00 0.00 57.88 57.21 1m4q h LEU 114 Cb 0.00 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1m4q h LEU 114 CO 0.00 0.73 -0.04 0.45 -0.62 0.00 0.00 178.44 178.96 1m4q h HIS 115 N -0.25 0.00 0.00 1.25 3.86 -1.95 -3.34 115.15 114.73 1m4q h HIS 115 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1m4q h HIS 115 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1m4q h HIS 115 CO 0.11 0.04 0.00 -1.91 0.86 0.00 0.00 177.93 177.03 1m4q n GLU 116 N -3.49 0.00 0.00 2.45 2.13 -1.17 -4.99 120.64 115.57 1m4q n GLU 116 Ca -0.02 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1m4q n GLU 116 Cb 0.15 -0.51 0.00 0.00 0.27 0.00 0.00 31.44 31.35 1m4q n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4q n TRP 117 N -2.14 0.00 -3.42 4.31 -0.00 0.30 -4.92 117.44 111.57 1m4q n TRP 117 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.31 1m4q n TRP 117 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.38 1m4q n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1m4q n LYS 118 N 0.00 -3.47 0.02 5.87 4.81 -1.24 -4.91 118.16 119.23 1m4q n LYS 118 Ca 0.00 0.77 -0.17 0.00 -0.87 0.00 0.00 58.31 58.04 1m4q n LYS 118 Cb 0.00 -5.51 -0.06 0.00 0.02 0.00 0.00 35.03 29.48 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m4q h HIS 119 N -1.50 0.93 0.27 5.64 2.76 -1.92 -3.47 115.15 117.86 1m4q h HIS 119 Ca -0.61 -0.46 -0.01 0.00 -2.20 0.00 0.00 60.37 57.09 1m4q h HIS 119 Cb 1.33 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1m4q h HIS 119 CO 0.36 1.28 -0.13 -1.35 -1.30 0.00 0.00 177.93 176.79 1m4q h PRO 120 N 0.41 -0.35 0.00 5.26 0.11 -2.03 -3.50 132.00 131.91 1m4q h PRO 120 Ca -0.08 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1m4q h PRO 120 Cb 1.52 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.71 1m4q h PRO 120 CO 0.17 -0.23 0.00 0.94 -0.21 0.00 0.00 178.00 178.67 1m4q n GLN 121 N -3.80 0.00 -2.49 1.05 0.00 -1.26 -4.92 117.38 105.96 1m4q n GLN 121 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.65 1m4q n GLN 121 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.36 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1m4q s SER 122 N 0.00 6.43 0.38 1.69 0.15 -1.26 -5.05 113.70 116.03 1m4q s SER 122 Ca 0.00 1.25 0.05 0.00 0.70 0.00 0.00 55.95 57.95 1m4q s SER 122 Cb 0.00 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1m4q s SER 122 CO 0.00 -0.58 0.19 -0.90 1.20 0.00 0.00 173.24 173.15 1m4q n ASP 123 N -1.88 0.55 -0.34 5.45 5.75 -1.26 -4.93 116.55 119.89 1m4q n ASP 123 Ca 0.04 -3.16 0.14 0.00 -0.01 0.00 0.00 54.79 51.80 1m4q n ASP 123 Cb 0.54 1.24 0.28 0.00 -1.03 0.00 0.00 41.12 42.16 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1m4q h LEU 124 N 0.00 -0.46 -0.33 -2.12 7.12 -1.98 0.86 115.31 118.39 1m4q h LEU 124 Ca -0.29 0.27 -0.12 0.00 0.13 0.00 0.00 57.88 57.88 1m4q h LEU 124 Cb 1.20 0.47 -0.01 0.00 -0.53 0.00 0.00 40.66 41.79 1m4q h LEU 124 CO 0.44 -0.34 -0.24 -0.07 -0.13 0.00 0.00 178.44 178.10 1m4q h LEU 125 N 0.02 0.79 -1.43 2.25 4.07 -1.96 -3.01 115.31 116.04 1m4q h LEU 125 Ca 0.59 -0.44 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 1m4q h LEU 125 Cb 1.20 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1m4q h LEU 125 CO -0.90 1.06 -0.29 1.23 -1.08 0.00 0.00 178.44 178.47 1m4q h GLY 126 N 0.53 0.00 0.53 0.83 0.00 -0.05 -2.81 103.07 102.10 1m4q h GLY 126 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1m4q h GLY 126 CO 0.06 0.00 -0.36 -2.00 0.00 0.00 0.00 176.54 174.25 1m4q h LEU 127 N 0.00 -0.93 -1.97 3.11 6.46 0.51 -2.43 115.31 120.06 1m4q h LEU 127 Ca -0.00 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 1m4q h LEU 127 Cb 0.53 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1m4q h LEU 127 CO 0.04 -0.53 0.17 0.40 -0.62 0.00 0.00 178.44 177.89 1m4q h ILE 128 N -0.85 0.90 -0.90 4.05 5.03 -1.58 -1.47 117.51 122.69 1m4q h ILE 128 Ca -0.07 -0.01 0.06 0.00 -0.12 0.00 0.00 64.86 64.72 1m4q h ILE 128 Cb 0.69 0.86 -0.06 0.00 -3.03 0.00 0.00 36.82 35.28 1m4q h ILE 128 CO 0.05 0.01 0.56 -0.61 -0.68 0.00 0.00 178.15 177.48 1m4q h GLN 129 N 0.03 0.99 -0.07 2.37 4.15 -1.18 0.86 115.11 122.27 1m4q h GLN 129 Ca 0.11 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1m4q h GLN 129 Cb 0.41 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1m4q h GLN 129 CO -0.01 0.66 0.02 0.28 -1.93 0.00 0.00 178.83 177.85 1m4q h VAL 130 N 1.02 1.19 -0.54 2.39 2.07 -0.86 0.07 116.25 121.60 1m4q h VAL 130 Ca 0.39 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1m4q h VAL 130 Cb 0.18 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1m4q h VAL 130 CO -0.18 0.16 0.36 -0.03 0.02 0.00 0.00 177.57 177.90 1m4q h MET 131 N -0.11 0.58 -0.34 1.57 1.85 -1.37 0.42 114.93 117.54 1m4q h MET 131 Ca 0.02 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.91 1m4q h MET 131 Cb 0.24 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 1m4q h MET 131 CO 0.00 0.38 -0.43 0.82 -0.40 0.00 0.00 176.91 177.29 1m4q h ILE 132 N 0.59 1.28 0.15 1.77 2.04 -0.48 0.10 117.51 122.97 1m4q h ILE 132 Ca 0.22 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 1m4q h ILE 132 Cb 0.13 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1m4q h ILE 132 CO -0.06 0.53 -0.07 0.58 0.00 0.00 0.00 178.15 179.13 1m4q h VAL 133 N 0.69 0.97 0.13 1.67 2.07 0.22 0.25 116.25 122.25 1m4q h VAL 133 Ca 0.05 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1m4q h VAL 133 Cb 1.01 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1m4q h VAL 133 CO 0.10 0.15 -0.06 0.58 0.02 0.00 0.00 177.57 178.35 1m4q h VAL 134 N -0.51 0.89 0.00 2.57 2.07 -0.99 -2.12 116.25 118.16 1m4q h VAL 134 Ca -0.02 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1m4q h VAL 134 Cb 0.40 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1m4q h VAL 134 CO 0.03 0.02 0.00 -0.26 0.02 0.00 0.00 177.57 177.38 1m4q h PHE 135 N -0.21 0.00 -0.92 1.57 -1.00 -0.82 0.81 116.94 116.37 1m4q h PHE 135 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1m4q h PHE 135 Cb 0.16 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.68 1m4q h PHE 135 CO -0.06 0.00 0.53 0.78 -1.61 0.00 0.00 178.31 177.95 1m4q h GLY 136 N 1.48 1.35 0.00 -1.45 0.00 0.23 -3.35 103.07 101.34 1m4q h GLY 136 Ca 0.00 -0.59 -0.20 0.00 0.00 0.00 0.00 47.33 46.55 1m4q h GLY 136 CO 0.00 0.56 -1.74 1.22 0.00 0.00 0.00 176.54 176.58 1m4q n ASP 137 N -4.34 2.77 -4.51 0.19 9.92 -1.12 -4.48 116.55 114.98 1m4q n ASP 137 Ca 0.10 -0.04 -0.43 0.00 -0.53 0.00 0.00 54.79 53.89 1m4q n ASP 137 Cb 0.08 -0.23 -0.05 0.00 -0.64 0.00 0.00 41.12 40.28 1m4q n ASP 137 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1m4q s GLU 138 N -2.26 3.29 -0.33 -1.24 2.56 0.26 -5.01 118.70 115.98 1m4q s GLU 138 Ca -0.18 -0.39 -0.29 0.00 0.00 0.00 0.00 54.97 54.12 1m4q s GLU 138 Cb 0.05 -4.05 -0.01 0.00 2.00 0.00 0.00 34.13 32.12 1m4q s GLU 138 CO 0.29 -1.36 1.72 -1.25 -0.56 0.00 0.00 175.26 174.10 1m4q s PRO 139 N 3.52 3.43 0.18 4.30 0.04 -1.26 -4.04 135.00 141.17 1m4q s PRO 139 Ca 0.27 1.39 0.16 0.00 0.04 0.00 0.00 61.00 62.86 1m4q s PRO 139 Cb -0.14 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1m4q s PRO 139 CO 0.18 -1.74 1.14 -1.00 0.04 0.00 0.00 177.00 175.62 1m4q h PRO 140 N 12.29 0.00 -1.32 0.56 0.13 -1.88 -3.43 132.00 138.35 1m4q h PRO 140 Ca -0.33 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.60 1m4q h PRO 140 Cb 1.16 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1m4q h PRO 140 CO 1.03 0.37 -0.56 0.54 -0.23 0.00 0.00 178.00 179.15 1m4q s VAL 141 N -2.98 -0.74 -0.14 1.56 0.11 -1.26 -0.61 120.40 116.35 1m4q s VAL 141 Ca 0.01 -0.83 -0.20 0.00 -2.93 0.00 0.00 61.98 58.03 1m4q s VAL 141 Cb 0.08 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1m4q s VAL 141 CO 0.78 -0.24 0.55 0.72 -3.33 0.00 0.00 175.10 173.58 1m4q s PHE 142 N 1.22 3.48 0.50 1.54 -0.71 -1.06 -4.71 117.98 118.22 1m4q s PHE 142 Ca 0.23 0.94 -0.03 0.00 -1.04 0.00 0.00 56.93 57.03 1m4q s PHE 142 Cb -0.04 -2.66 -0.01 0.00 -1.21 0.00 0.00 43.02 39.10 1m4q s PHE 142 CO -0.07 0.05 0.76 0.45 -1.34 0.00 0.00 175.22 175.07 1m4q s SER 143 N 0.85 5.88 0.45 1.98 0.15 -1.26 -3.55 113.70 118.19 1m4q s SER 143 Ca 0.28 0.58 -0.22 0.00 0.70 0.00 0.00 55.95 57.30 1m4q s SER 143 Cb -0.16 -1.78 -0.09 0.00 -1.71 0.00 0.00 66.02 62.28 1m4q s SER 143 CO 0.12 -0.77 1.03 0.00 1.20 0.00 0.00 173.24 174.82 1m4q s ARG 144 N -4.72 3.99 0.00 5.44 1.70 -1.24 -4.93 118.95 119.19 1m4q s ARG 144 Ca 0.49 1.38 0.16 0.00 -0.47 0.00 0.00 55.73 57.30 1m4q s ARG 144 Cb -0.10 -2.27 0.98 0.00 -0.57 0.00 0.00 34.95 32.99 1m4q s ARG 144 CO 0.42 -0.27 1.39 -0.35 -1.08 0.00 0.00 175.30 175.40