#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q n VAL 3 N 0.00 0.12 0.25 0.00 0.31 -1.26 -4.23 118.33 113.52 1m4q n VAL 3 Ca 0.00 -0.56 0.13 0.00 -0.01 0.00 0.00 64.34 63.90 1m4q n VAL 3 Cb 0.00 1.37 0.24 0.00 -0.91 0.00 0.00 33.84 34.54 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1m4q h SER 4 N 4.51 0.00 -0.63 4.52 0.87 -2.01 -3.30 113.55 117.51 1m4q h SER 4 Ca 0.00 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1m4q h SER 4 Cb 0.97 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.85 1m4q h SER 4 CO 0.00 0.00 0.18 1.05 -0.53 0.00 0.00 176.83 177.53 1m4q h GLU 5 N 0.00 0.32 -0.33 2.24 -0.00 -1.99 0.78 114.58 115.59 1m4q h GLU 5 Ca 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1m4q h GLU 5 Cb 0.93 -0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.58 1m4q h GLU 5 CO 0.00 0.21 0.20 1.03 -0.00 0.00 0.00 179.01 180.45 1m4q h SER 6 N 0.33 0.32 0.63 3.06 0.87 -1.88 -2.03 113.55 114.84 1m4q h SER 6 Ca 0.33 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1m4q h SER 6 Cb 0.47 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1m4q h SER 6 CO -0.37 0.23 -0.44 -0.61 -0.53 0.00 0.00 176.83 175.11 1m4q h GLN 7 N 0.40 0.00 0.69 2.24 5.75 -1.44 -3.15 115.11 119.60 1m4q h GLN 7 Ca 0.13 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1m4q h GLN 7 Cb -0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1m4q h GLN 7 CO -0.06 0.44 -0.34 1.25 -2.65 0.00 0.00 178.83 177.47 1m4q h LEU 8 N 0.00 -0.83 -0.60 -2.39 5.85 0.12 0.54 115.31 118.00 1m4q h LEU 8 Ca -0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1m4q h LEU 8 Cb 0.87 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1m4q h LEU 8 CO 0.06 -0.57 0.23 0.50 -0.34 0.00 0.00 178.44 178.31 1m4q h LYS 9 N -0.94 0.39 0.00 1.25 3.11 -1.48 0.55 116.57 119.45 1m4q h LYS 9 Ca -0.09 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.67 1m4q h LYS 9 Cb 0.73 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 1m4q h LYS 9 CO 0.14 0.26 -0.28 0.87 -2.81 0.00 0.00 179.45 177.64 1m4q h LYS 10 N 0.41 0.00 0.00 1.90 1.57 -1.48 -2.80 116.57 116.17 1m4q h LYS 10 Ca 0.30 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1m4q h LYS 10 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1m4q h LYS 10 CO -0.30 0.28 -0.02 0.52 -0.57 0.00 0.00 179.45 179.35 1m4q h MET 11 N 0.00 0.00 0.00 3.15 2.86 0.24 -3.36 114.93 117.82 1m4q h MET 11 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1m4q h MET 11 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1m4q h MET 11 CO 0.04 0.02 0.00 1.33 1.06 0.00 0.00 176.91 179.35 1m4q n VAL 12 N -3.60 0.00 -1.91 -2.22 0.24 -1.07 -4.96 118.33 104.81 1m4q n VAL 12 Ca -0.03 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.11 1m4q n VAL 12 Cb 0.11 -0.79 -0.04 0.00 -1.47 0.00 0.00 33.84 31.64 1m4q n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m4q n SER 13 N -1.08 -4.55 0.00 -1.34 7.64 -1.13 -4.64 113.62 108.52 1m4q n SER 13 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1m4q n SER 13 Cb 0.00 -3.98 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m4q n LYS 14 N -2.46 0.00 -2.35 1.43 5.02 -1.26 -5.12 118.16 113.42 1m4q n LYS 14 Ca -0.18 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.77 1m4q n LYS 14 Cb 0.59 -0.17 -0.01 0.00 -0.02 0.00 0.00 35.03 35.42 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1m4q s TYR 15 N 0.00 2.80 0.51 2.13 1.51 -1.26 -4.92 117.35 118.11 1m4q s TYR 15 Ca 0.00 1.56 0.20 0.00 -1.01 0.00 0.00 57.07 57.81 1m4q s TYR 15 Cb 0.00 -3.20 1.34 0.00 -0.11 0.00 0.00 41.96 39.99 1m4q s TYR 15 CO 0.00 -1.29 2.12 -0.22 -1.11 0.00 0.00 175.55 175.05 1m4q h LYS 16 N 1.28 0.00 -1.69 -0.62 3.64 -1.97 -3.13 116.57 114.07 1m4q h LYS 16 Ca -0.50 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.43 1m4q h LYS 16 Cb 1.24 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.66 1m4q h LYS 16 CO 0.58 0.06 -1.14 0.66 -2.27 0.00 0.00 179.45 177.34 1m4q n TYR 17 N -4.23 0.88 -0.25 1.91 4.01 -1.26 -4.96 117.16 113.26 1m4q n TYR 17 Ca -0.03 -3.48 0.04 0.00 -0.16 0.00 0.00 57.90 54.28 1m4q n TYR 17 Cb 0.15 -0.40 0.15 0.00 -0.31 0.00 0.00 39.34 38.92 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 2.98 0.10 0.23 -0.72 2.43 -1.92 0.90 114.38 118.38 1m4q h ARG 18 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1m4q h ARG 18 Cb 1.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1m4q h ARG 18 CO 0.54 0.06 -0.15 0.38 -1.51 0.00 0.00 179.97 179.29 1m4q h ASP 19 N 0.10 -0.38 0.36 -3.80 2.03 -1.92 0.91 116.42 113.71 1m4q h ASP 19 Ca 0.40 0.03 -0.06 0.00 -0.73 0.00 0.00 57.03 56.67 1m4q h ASP 19 Cb 0.69 0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.30 1m4q h ASP 19 CO -0.65 -0.24 -0.26 0.25 -1.03 0.00 0.00 179.24 177.30 1m4q h LEU 20 N -0.37 0.00 0.05 0.15 5.85 -1.60 -0.59 115.31 118.80 1m4q h LEU 20 Ca -0.02 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1m4q h LEU 20 Cb 0.32 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.36 1m4q h LEU 20 CO 0.01 0.26 -0.31 0.74 -0.34 0.00 0.00 178.44 178.81 1m4q h THR 21 N 0.00 1.69 -0.71 1.05 2.02 0.12 -3.04 112.91 114.04 1m4q h THR 21 Ca -0.00 -2.42 -0.03 0.00 0.77 0.00 0.00 66.41 64.73 1m4q h THR 21 Cb 0.52 3.32 -0.03 0.00 -1.74 0.00 0.00 68.15 70.22 1m4q h THR 21 CO 0.03 0.65 0.34 0.58 0.37 0.00 0.00 175.52 177.49 1m4q h VAL 22 N -0.77 1.24 -0.66 3.16 2.07 0.90 -1.13 116.25 121.06 1m4q h VAL 22 Ca -0.05 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1m4q h VAL 22 Cb 1.24 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1m4q h VAL 22 CO 0.06 0.28 0.42 -0.09 0.02 0.00 0.00 177.57 178.26 1m4q h ARG 23 N 1.00 0.83 -0.46 1.57 2.43 -1.23 0.84 114.38 119.36 1m4q h ARG 23 Ca 0.24 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1m4q h ARG 23 Cb 0.13 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1m4q h ARG 23 CO -0.03 0.55 0.11 0.93 -1.51 0.00 0.00 179.97 180.01 1m4q h GLU 24 N 0.85 0.74 0.71 0.20 5.08 -1.35 -1.55 114.58 119.26 1m4q h GLU 24 Ca 0.25 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1m4q h GLU 24 Cb -0.06 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.11 1m4q h GLU 24 CO -0.07 0.74 -0.34 1.15 -1.00 0.00 0.00 179.01 179.48 1m4q h THR 25 N 0.61 0.27 -0.85 1.13 2.02 -0.72 -2.39 112.91 112.98 1m4q h THR 25 Ca 0.14 -0.07 0.13 0.00 0.77 0.00 0.00 66.41 67.38 1m4q h THR 25 Cb 0.33 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 66.95 1m4q h THR 25 CO 0.00 0.01 0.46 -0.37 0.37 0.00 0.00 175.52 175.99 1m4q h VAL 26 N -1.01 0.79 -0.77 3.16 -1.51 -0.85 -0.75 116.25 115.30 1m4q h VAL 26 Ca -0.10 -0.24 0.07 0.00 -1.23 0.00 0.00 66.70 65.21 1m4q h VAL 26 Cb 0.75 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.88 1m4q h VAL 26 CO 0.16 0.13 0.44 -1.13 -1.23 0.00 0.00 177.57 175.94 1m4q h ASN 27 N 0.69 0.66 0.22 4.19 -0.73 -1.13 0.87 115.58 120.35 1m4q h ASN 27 Ca 0.45 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.64 1m4q h ASN 27 Cb 0.57 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1m4q h ASN 27 CO -0.32 0.41 -0.11 0.58 -0.37 0.00 0.00 177.43 177.61 1m4q h VAL 28 N 0.79 0.84 -0.24 2.57 2.07 -0.63 -1.66 116.25 119.98 1m4q h VAL 28 Ca 0.35 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1m4q h VAL 28 Cb 0.25 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1m4q h VAL 28 CO -0.21 0.07 -0.23 0.16 0.02 0.00 0.00 177.57 177.39 1m4q h ILE 29 N -0.46 1.26 0.00 4.57 3.07 -1.06 0.47 117.51 125.37 1m4q h ILE 29 Ca -0.03 -1.20 -0.02 0.00 1.55 0.00 0.00 64.86 65.16 1m4q h ILE 29 Cb 0.35 1.32 -0.00 0.00 -0.27 0.00 0.00 36.82 38.21 1m4q h ILE 29 CO 0.05 0.38 -0.08 0.74 -1.05 0.00 0.00 178.15 178.19 1m4q h THR 30 N 0.40 0.26 0.00 0.16 2.02 0.89 1.01 112.91 117.66 1m4q h THR 30 Ca 0.06 -0.59 -0.41 0.00 0.77 0.00 0.00 66.41 66.24 1m4q h THR 30 Cb 0.62 1.46 -0.07 0.00 -1.74 0.00 0.00 68.15 68.43 1m4q h THR 30 CO 0.04 0.08 -2.46 -0.11 0.37 0.00 0.00 175.52 173.45 1m4q n LEU 31 N -3.29 2.48 -0.06 2.58 7.94 -0.64 -4.72 117.00 121.31 1m4q n LEU 31 Ca -0.01 0.07 -0.22 0.00 -1.11 0.00 0.00 56.01 54.75 1m4q n LEU 31 Cb 0.29 -0.83 -0.12 0.00 0.53 0.00 0.00 43.42 43.28 1m4q n LEU 31 CO 0.28 0.76 -0.71 -1.22 -1.11 0.00 0.00 177.39 175.39 1m4q n TYR 32 N -3.67 1.05 -1.26 1.96 4.01 0.16 -4.97 117.16 114.44 1m4q n TYR 32 Ca -0.48 0.33 -0.09 0.00 -0.16 0.00 0.00 57.90 57.50 1m4q n TYR 32 Cb 0.93 -1.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.80 1m4q n TYR 32 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1m4q n LYS 33 N -3.99 -1.23 -0.01 -0.72 -0.00 0.35 -4.78 118.16 107.78 1m4q n LYS 33 Ca -0.34 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1m4q n LYS 33 Cb 0.86 -4.89 -0.02 0.00 -0.00 0.00 0.00 35.03 30.97 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1m4q n ASP 34 N -0.58 4.26 -4.48 -5.58 8.00 -1.26 -4.93 116.55 111.97 1m4q n ASP 34 Ca -0.09 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.98 1m4q n ASP 34 Cb 0.45 0.92 -0.04 0.00 -0.02 0.00 0.00 41.12 42.43 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4q s LEU 35 N -3.63 4.10 -0.55 0.64 1.02 -1.26 -3.10 118.68 115.90 1m4q s LEU 35 Ca -0.01 -0.81 -0.22 0.00 0.02 0.00 0.00 54.13 53.11 1m4q s LEU 35 Cb 0.02 -2.50 0.05 0.00 0.02 0.00 0.00 46.19 43.79 1m4q s LEU 35 CO 0.13 -1.50 0.80 -0.75 0.02 0.00 0.00 176.35 175.05 1m4q s LYS 36 N 4.40 3.20 0.05 1.70 2.20 0.31 -4.63 119.74 126.98 1m4q s LYS 36 Ca 0.26 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1m4q s LYS 36 Cb -0.15 -4.10 -0.08 0.00 -1.51 0.00 0.00 37.83 31.99 1m4q s LYS 36 CO 0.12 -1.42 1.81 -1.25 -0.36 0.00 0.00 175.35 174.25 1m4q s PRO 37 N 3.36 4.16 0.04 4.03 0.04 -1.26 -3.13 135.00 142.24 1m4q s PRO 37 Ca 0.22 2.47 0.01 0.00 0.04 0.00 0.00 61.00 63.74 1m4q s PRO 37 Cb -0.16 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1m4q s PRO 37 CO 0.14 -0.86 0.13 0.14 0.04 0.00 0.00 177.00 176.59 1m4q s VAL 38 N 3.61 4.94 -0.93 -0.36 -7.23 0.27 -4.92 120.40 115.77 1m4q s VAL 38 Ca 0.81 -0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 60.32 1m4q s VAL 38 Cb -0.41 -3.35 0.15 0.00 0.56 0.00 0.00 36.38 33.33 1m4q s VAL 38 CO 0.36 0.22 1.08 -0.22 -0.31 0.00 0.00 175.10 176.23 1m4q s LEU 39 N -2.18 5.37 0.50 1.32 1.98 -1.26 0.10 118.68 124.51 1m4q s LEU 39 Ca 0.29 -2.23 -0.07 0.00 -2.89 0.00 0.00 54.13 49.23 1m4q s LEU 39 Cb -0.12 -2.36 -0.04 0.00 0.66 0.00 0.00 46.19 44.32 1m4q s LEU 39 CO 0.21 -0.95 0.83 -0.62 -1.89 0.00 0.00 176.35 173.93 1m4q s ASP 40 N 3.30 6.28 -0.30 3.68 -1.08 -0.58 -4.93 116.67 123.05 1m4q s ASP 40 Ca 0.31 1.03 -0.02 0.00 -0.52 0.00 0.00 52.55 53.34 1m4q s ASP 40 Cb -0.06 -2.29 0.19 0.00 -1.46 0.00 0.00 42.92 39.30 1m4q s ASP 40 CO -0.09 -0.61 0.76 -0.55 0.52 0.00 0.00 175.17 175.20 1m4q s SER 41 N -4.03 -1.13 0.20 -0.34 0.15 -1.26 -1.25 113.70 106.04 1m4q s SER 41 Ca 0.49 0.34 -0.02 0.00 0.70 0.00 0.00 55.95 57.46 1m4q s SER 41 Cb -0.10 1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 65.97 1m4q s SER 41 CO 0.45 -0.21 0.16 -0.47 1.20 0.00 0.00 173.24 174.38 1m4q s TYR 42 N 2.88 1.03 0.30 3.44 5.04 -1.18 -4.82 117.35 124.05 1m4q s TYR 42 Ca 0.15 -1.28 -0.16 0.00 -2.44 0.00 0.00 57.07 53.34 1m4q s TYR 42 Cb -0.09 -0.46 -0.09 0.00 0.35 0.00 0.00 41.96 41.67 1m4q s TYR 42 CO -0.22 -0.67 0.73 0.14 -1.34 0.00 0.00 175.55 174.19 1m4q s VAL 43 N -4.13 4.67 0.09 3.14 -7.23 -1.26 -0.35 120.40 115.33 1m4q s VAL 43 Ca 0.35 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.52 1m4q s VAL 43 Cb 0.06 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1m4q s VAL 43 CO 0.10 -0.11 0.00 0.49 -0.31 0.00 0.00 175.10 175.28 1m4q n PHE 44 N -0.15 -1.60 -1.52 2.82 3.01 -1.19 -4.73 117.46 114.10 1m4q n PHE 44 Ca 0.02 0.24 -0.13 0.00 1.01 0.00 0.00 57.45 58.59 1m4q n PHE 44 Cb 0.53 0.87 -0.10 0.00 -0.01 0.00 0.00 39.48 40.77 1m4q n PHE 44 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1m4q n ASN 45 N -2.75 1.05 -1.84 4.37 4.13 -1.26 -2.99 115.26 115.97 1m4q n ASN 45 Ca 0.00 -1.82 -0.12 0.00 1.68 0.00 0.00 54.58 54.32 1m4q n ASN 45 Cb 0.00 -1.52 -0.03 0.00 -1.54 0.00 0.00 39.78 36.69 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1m4q n ASP 46 N 17.17 -3.51 -0.19 6.41 8.00 -1.26 -3.56 116.55 139.60 1m4q n ASP 46 Ca 0.43 0.26 0.00 0.00 0.71 0.00 0.00 54.79 56.18 1m4q n ASP 46 Cb 0.43 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 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 -0.48 0.58 3.02 0.44 0.00 -1.16 -5.12 105.19 102.46 1m4q n GLY 47 Ca -0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4q s SER 48 N -0.77 -0.48 0.14 1.61 0.01 -1.23 -4.85 113.70 108.13 1m4q s SER 48 Ca 0.00 -0.22 -0.35 0.00 1.31 0.00 0.00 55.95 56.70 1m4q s SER 48 Cb 0.00 1.50 -0.15 0.00 0.21 0.00 0.00 66.02 67.58 1m4q s SER 48 CO 0.00 -0.32 1.48 -0.24 0.41 0.00 0.00 173.24 174.57 1m4q n SER 49 N 5.30 2.56 -4.03 2.44 2.88 -1.26 -3.17 113.62 118.34 1m4q n SER 49 Ca 0.03 1.10 -0.22 0.00 -1.33 0.00 0.00 58.87 58.45 1m4q n SER 49 Cb 0.51 -1.35 -0.16 0.00 -0.75 0.00 0.00 64.21 62.47 1m4q n SER 49 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1m4q s ARG 50 N 0.65 1.23 -0.42 -1.46 3.00 0.53 -4.87 118.95 117.62 1m4q s ARG 50 Ca 0.80 -0.38 -0.29 0.00 -1.00 0.00 0.00 55.73 54.86 1m4q s ARG 50 Cb -0.77 -1.11 0.02 0.00 0.00 0.00 0.00 34.95 33.09 1m4q s ARG 50 CO 0.42 0.13 1.19 -2.00 0.00 0.00 0.00 175.30 175.03 1m4q s GLU 51 N 0.24 3.79 -0.11 5.12 2.12 -1.26 -3.08 118.70 125.51 1m4q s GLU 51 Ca -0.05 0.79 -0.05 0.00 0.36 0.00 0.00 54.97 56.02 1m4q s GLU 51 Cb -0.10 -3.89 0.05 0.00 0.26 0.00 0.00 34.13 30.45 1m4q s GLU 51 CO 0.01 -1.29 0.26 -0.48 -0.54 0.00 0.00 175.26 173.22 1m4q s LEU 52 N 4.45 0.18 -0.12 2.70 -0.00 -0.38 -4.70 118.68 120.82 1m4q s LEU 52 Ca 0.50 0.56 -0.29 0.00 -0.00 0.00 0.00 54.13 54.90 1m4q s LEU 52 Cb -0.10 0.75 -0.01 0.00 -0.00 0.00 0.00 46.19 46.83 1m4q s LEU 52 CO 0.28 -0.19 1.01 -0.32 -0.00 0.00 0.00 176.35 177.13 1m4q s MET 53 N 1.60 4.41 0.21 1.48 -2.45 -1.21 -1.52 119.30 121.82 1m4q s MET 53 Ca -0.06 1.39 -0.02 0.00 -1.25 0.00 0.00 55.69 55.74 1m4q s MET 53 Cb -0.11 -3.55 -0.05 0.00 1.25 0.00 0.00 34.83 32.38 1m4q s MET 53 CO -0.09 -0.34 0.42 -0.80 1.05 0.00 0.00 175.02 175.27 1m4q s ASN 54 N 1.11 6.42 -0.21 1.11 0.01 0.28 -2.63 114.94 121.02 1m4q s ASN 54 Ca 0.48 0.50 -0.09 0.00 -0.71 0.00 0.00 52.86 53.04 1m4q s ASN 54 Cb -0.18 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 1m4q s ASN 54 CO 0.17 -0.06 0.12 -0.76 -1.51 0.00 0.00 177.10 175.06 1m4q s LEU 55 N -3.26 4.00 -0.06 0.60 2.01 0.21 0.94 118.68 123.12 1m4q s LEU 55 Ca 0.40 0.11 -0.04 0.00 0.01 0.00 0.00 54.13 54.61 1m4q s LEU 55 Cb -0.11 -2.05 0.03 0.00 0.01 0.00 0.00 46.19 44.07 1m4q s LEU 55 CO 0.28 0.12 0.15 0.28 1.01 0.00 0.00 176.35 178.19 1m4q s THR 56 N 0.70 -0.02 -1.24 5.49 -1.32 -1.18 -0.89 115.64 117.17 1m4q s THR 56 Ca 0.06 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1m4q s THR 56 Cb -0.13 -0.23 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1m4q s THR 56 CO 0.01 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1m4q n GLY 57 N 3.53 -0.76 2.92 6.08 0.00 -1.22 0.12 105.19 115.87 1m4q n GLY 57 Ca -0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.00 -0.49 0.13 2.61 -4.23 -1.18 -2.56 115.64 105.91 1m4q s THR 58 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1m4q s THR 58 Cb 0.00 -0.69 -0.06 0.00 1.34 0.00 0.00 72.50 73.08 1m4q s THR 58 CO 0.00 -0.08 0.49 0.27 -0.54 0.00 0.00 174.62 174.76 1m4q s ILE 59 N 2.47 4.96 -0.18 2.99 -4.36 -0.77 -4.67 121.20 121.64 1m4q s ILE 59 Ca 0.07 0.64 -0.29 0.00 -0.26 0.00 0.00 60.65 60.81 1m4q s ILE 59 Cb -0.15 -3.69 -0.03 0.00 1.25 0.00 0.00 42.46 39.84 1m4q s ILE 59 CO -0.13 0.23 1.57 -2.16 0.24 0.00 0.00 174.94 174.69 1m4q s PRO 60 N -2.03 3.94 -0.41 0.37 0.04 -1.26 -1.63 135.00 134.01 1m4q s PRO 60 Ca 0.37 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 1m4q s PRO 60 Cb -0.14 -3.99 0.08 0.00 0.04 0.00 0.00 34.50 30.49 1m4q s PRO 60 CO 0.19 -1.12 0.24 0.08 0.04 0.00 0.00 177.00 176.43 1m4q s VAL 61 N 4.71 4.06 0.02 -0.36 1.01 0.21 -4.94 120.40 125.10 1m4q s VAL 61 Ca 0.69 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1m4q s VAL 61 Cb -0.26 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1m4q s VAL 61 CO 0.27 -0.51 1.07 -2.16 0.00 0.00 0.00 175.10 173.78 1m4q s PRO 62 N 1.38 4.50 0.00 2.72 0.04 -1.26 -1.60 135.00 140.78 1m4q s PRO 62 Ca 0.03 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1m4q s PRO 62 Cb -0.23 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1m4q s PRO 62 CO 0.01 -0.15 0.00 0.98 0.04 0.00 0.00 177.00 177.88 1m4q n TYR 63 N 4.01 -0.55 0.11 0.56 9.36 0.24 -4.41 117.16 126.48 1m4q n TYR 63 Ca 0.07 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.48 1m4q n TYR 63 Cb 0.49 0.00 0.75 0.00 -0.63 0.00 0.00 39.34 39.95 1m4q n TYR 63 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1m4q h ARG 64 N 0.00 0.00 0.00 2.98 2.47 -1.97 -3.32 114.38 114.55 1m4q h ARG 64 Ca 0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1m4q h ARG 64 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 1m4q h ARG 64 CO 0.00 0.00 -0.13 0.41 0.56 0.00 0.00 179.97 180.81 1m4q n GLY 65 N -1.52 0.42 2.06 0.04 0.00 -1.26 -5.15 105.19 99.79 1m4q n GLY 65 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.64 -3.18 1.61 3.02 -1.25 -5.16 115.26 109.66 1m4q n ASN 66 Ca -0.12 -2.29 0.02 0.00 -0.03 0.00 0.00 54.58 52.16 1m4q n ASN 66 Cb 0.49 1.32 -0.02 0.00 -0.61 0.00 0.00 39.78 40.96 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1m4q s THR 67 N -2.76 -0.93 0.28 3.41 2.01 -1.26 0.82 115.64 117.21 1m4q s THR 67 Ca 0.22 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.21 1m4q s THR 67 Cb 0.00 -0.99 0.05 0.00 0.01 0.00 0.00 72.50 71.58 1m4q s THR 67 CO 0.16 -0.04 0.39 -1.22 -0.69 0.00 0.00 174.62 173.21 1m4q n TYR 68 N 5.41 -2.82 -3.95 4.92 4.02 -0.63 -4.79 117.16 119.32 1m4q n TYR 68 Ca 0.02 -0.92 -0.31 0.00 -0.01 0.00 0.00 57.90 56.68 1m4q n TYR 68 Cb 0.52 -0.27 -0.14 0.00 -0.02 0.00 0.00 39.34 39.43 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 -2.70 4.65 0.09 7.72 0.01 -1.26 -0.62 114.94 122.84 1m4q s ASN 69 Ca 0.28 -2.56 -0.30 0.00 -0.71 0.00 0.00 52.86 49.57 1m4q s ASN 69 Cb -0.02 -1.66 -0.06 0.00 0.41 0.00 0.00 41.25 39.91 1m4q s ASN 69 CO 0.18 -0.33 1.20 -0.51 -1.51 0.00 0.00 177.10 176.14 1m4q s ILE 70 N 0.35 3.90 0.51 0.60 1.10 -0.65 -4.75 121.20 122.26 1m4q s ILE 70 Ca 0.14 1.41 -0.19 0.00 -0.51 0.00 0.00 60.65 61.50 1m4q s ILE 70 Cb -0.22 -3.91 -0.07 0.00 0.15 0.00 0.00 42.46 38.41 1m4q s ILE 70 CO -0.04 0.14 1.05 -2.16 -2.11 0.00 0.00 174.94 171.82 1m4q s PRO 71 N 0.77 3.65 0.05 3.50 0.04 -1.26 -1.84 135.00 139.91 1m4q s PRO 71 Ca 0.58 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 1m4q s PRO 71 Cb -0.30 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 1m4q s PRO 71 CO 0.31 -0.56 0.06 0.42 0.04 0.00 0.00 177.00 177.27 1m4q s ILE 72 N -2.03 0.17 -0.41 0.56 -1.09 -1.06 -4.25 121.20 113.09 1m4q s ILE 72 Ca 0.67 -1.37 0.06 0.00 -2.23 0.00 0.00 60.65 57.79 1m4q s ILE 72 Cb -0.17 -1.18 0.17 0.00 -1.58 0.00 0.00 42.46 39.70 1m4q s ILE 72 CO 0.24 -0.76 0.55 0.00 -1.23 0.00 0.00 174.94 173.74 1m4q s LEU 74 N 1.49 3.85 -0.41 0.00 2.01 -0.07 -3.24 118.68 122.31 1m4q s LEU 74 Ca 0.19 0.03 -0.27 0.00 0.01 0.00 0.00 54.13 54.09 1m4q s LEU 74 Cb -0.07 -2.01 0.02 0.00 0.01 0.00 0.00 46.19 44.14 1m4q s LEU 74 CO -0.06 0.09 1.00 0.26 1.01 0.00 0.00 176.35 178.65 1m4q s TRP 75 N 0.91 2.99 -0.57 0.29 0.52 -1.22 0.67 118.94 122.53 1m4q s TRP 75 Ca 0.05 0.73 -0.17 0.00 0.02 0.00 0.00 56.10 56.73 1m4q s TRP 75 Cb -0.13 -3.92 0.12 0.00 -1.15 0.00 0.00 33.47 28.39 1m4q s TRP 75 CO 0.03 -0.99 0.59 -1.17 0.02 0.00 0.00 176.95 175.42 1m4q s LEU 76 N 3.81 5.91 1.02 2.99 2.96 -1.08 -4.66 118.68 129.63 1m4q s LEU 76 Ca 0.41 -1.69 -0.14 0.00 -0.22 0.00 0.00 54.13 52.49 1m4q s LEU 76 Cb -0.10 -2.24 0.20 0.00 0.50 0.00 0.00 46.19 44.54 1m4q s LEU 76 CO 0.23 -0.95 1.13 -0.76 -1.32 0.00 0.00 176.35 174.68 1m4q s LEU 77 N 1.96 1.58 0.02 -0.68 1.43 -1.26 -3.31 118.68 118.42 1m4q s LEU 77 Ca 0.07 0.90 -0.26 0.00 -1.03 0.00 0.00 54.13 53.81 1m4q s LEU 77 Cb -0.27 -3.01 -0.16 0.00 0.03 0.00 0.00 46.19 42.78 1m4q s LEU 77 CO 0.04 -3.17 1.25 0.44 0.23 0.00 0.00 176.35 175.15 1m4q h ASP 78 N -1.92 -0.46 0.00 2.29 3.32 -1.97 -3.45 116.42 114.23 1m4q h ASP 78 Ca -0.50 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1m4q h ASP 78 Cb 1.32 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1m4q h ASP 78 CO 0.52 -0.11 0.00 1.07 -1.72 0.00 0.00 179.24 179.00 1m4q n THR 79 N -5.21 0.00 -3.70 0.35 5.66 -1.26 -4.29 114.28 105.84 1m4q n THR 79 Ca -0.10 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.79 1m4q n THR 79 Cb 0.28 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.96 1m4q n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1m4q s TYR 80 N 0.00 -0.61 0.15 1.09 2.02 -1.26 -4.51 117.35 114.22 1m4q s TYR 80 Ca 0.00 1.33 0.02 0.00 -0.37 0.00 0.00 57.07 58.06 1m4q s TYR 80 Cb 0.00 0.27 -0.06 0.00 -0.40 0.00 0.00 41.96 41.77 1m4q s TYR 80 CO 0.00 -0.33 1.34 -1.00 -1.57 0.00 0.00 175.55 173.99 1m4q h PRO 81 N 6.67 0.17 0.00 -1.71 0.13 -2.01 -3.44 132.00 131.82 1m4q h PRO 81 Ca -0.34 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1m4q h PRO 81 Cb 1.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1m4q h PRO 81 CO 0.27 0.99 0.00 0.98 -0.23 0.00 0.00 178.00 180.00 1m4q n TYR 82 N -3.60 -0.49 -3.72 1.56 9.36 -1.26 -5.13 117.16 113.88 1m4q n TYR 82 Ca -0.04 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.07 1m4q n TYR 82 Cb 0.85 0.11 -0.12 0.00 -0.63 0.00 0.00 39.34 39.55 1m4q n TYR 82 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1m4q s ASN 83 N -1.40 -0.38 -0.27 2.98 2.47 -1.26 -4.97 114.94 112.10 1m4q s ASN 83 Ca 0.00 0.70 -0.28 0.00 0.42 0.00 0.00 52.86 53.70 1m4q s ASN 83 Cb 0.00 0.61 -0.05 0.00 -1.45 0.00 0.00 41.25 40.36 1m4q s ASN 83 CO 0.00 -0.17 2.17 -2.16 -3.72 0.00 0.00 177.10 173.22 1m4q s PRO 84 N 1.13 3.03 0.25 0.43 0.04 -1.26 -4.84 135.00 133.78 1m4q s PRO 84 Ca -0.08 1.83 0.23 0.00 0.04 0.00 0.00 61.00 63.03 1m4q s PRO 84 Cb -0.08 -4.37 0.13 0.00 0.04 0.00 0.00 34.50 30.22 1m4q s PRO 84 CO -0.09 -2.22 1.22 -1.00 0.04 0.00 0.00 177.00 174.96 1m4q h PRO 85 N 15.24 0.00 -6.21 0.56 0.13 -1.96 -3.46 132.00 136.30 1m4q h PRO 85 Ca -0.38 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.19 1m4q h PRO 85 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1m4q h PRO 85 CO 1.00 0.00 1.28 0.42 -0.23 0.00 0.00 178.00 180.47 1m4q s ILE 86 N -3.30 3.25 -0.09 -3.56 1.01 -1.26 -4.97 121.20 112.28 1m4q s ILE 86 Ca 0.02 0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 1m4q s ILE 86 Cb 0.09 -3.25 0.05 0.00 0.01 0.00 0.00 42.46 39.36 1m4q s ILE 86 CO 0.75 -0.10 0.18 0.00 0.00 0.00 0.00 174.94 175.78 1m4q s PHE 88 N 1.60 0.02 0.00 0.00 -0.12 -1.20 -1.18 117.98 117.10 1m4q s PHE 88 Ca -0.05 -0.21 -0.11 0.00 -0.05 0.00 0.00 56.93 56.51 1m4q s PHE 88 Cb -0.11 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 1m4q s PHE 88 CO -0.07 -0.43 0.33 0.54 -0.05 0.00 0.00 175.22 175.55 1m4q s VAL 89 N -2.45 5.18 -0.47 -2.49 0.11 0.86 -2.29 120.40 118.84 1m4q s VAL 89 Ca -0.06 0.50 -0.18 0.00 -2.93 0.00 0.00 61.98 59.31 1m4q s VAL 89 Cb -0.02 -3.61 0.05 0.00 -1.53 0.00 0.00 36.38 31.27 1m4q s VAL 89 CO -0.03 0.47 0.54 -0.54 -3.33 0.00 0.00 175.10 172.20 1m4q s LYS 90 N -1.41 3.10 -0.16 1.54 -0.14 -1.26 -4.64 119.74 116.75 1m4q s LYS 90 Ca 0.25 -0.91 -0.21 0.00 -1.36 0.00 0.00 55.97 53.74 1m4q s LYS 90 Cb -0.14 -4.06 -0.03 0.00 -1.68 0.00 0.00 37.83 31.91 1m4q s LYS 90 CO 0.13 -1.08 0.63 -1.25 -0.76 0.00 0.00 175.35 173.03 1m4q s PRO 91 N 2.33 4.27 0.80 -1.68 0.04 -1.26 -4.68 135.00 134.82 1m4q s PRO 91 Ca 0.13 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 61.70 1m4q s PRO 91 Cb -0.19 -3.54 0.07 0.00 0.04 0.00 0.00 34.50 30.88 1m4q s PRO 91 CO 0.12 -0.14 1.14 0.95 0.04 0.00 0.00 177.00 179.10 1m4q s THR 92 N 1.57 2.56 0.53 1.26 -4.23 -1.26 -4.86 115.64 111.21 1m4q s THR 92 Ca 0.30 0.18 0.24 0.00 -1.18 0.00 0.00 61.69 61.24 1m4q s THR 92 Cb -0.16 -3.10 0.38 0.00 1.34 0.00 0.00 72.50 70.96 1m4q s THR 92 CO 0.12 -0.24 2.02 -1.28 -0.54 0.00 0.00 174.62 174.70 1m4q h SER 93 N -1.03 0.00 -0.01 3.99 0.87 -2.06 0.13 113.55 115.43 1m4q h SER 93 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1m4q h SER 93 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1m4q h SER 93 CO 0.64 0.00 -0.16 -1.20 -0.53 0.00 0.00 176.83 175.58 1m4q n SER 94 N -4.35 2.51 -4.95 6.23 7.64 -1.26 -4.96 113.62 114.48 1m4q n SER 94 Ca 0.07 -1.77 -0.23 0.00 1.01 0.00 0.00 58.87 57.95 1m4q n SER 94 Cb 0.52 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 -2.17 3.20 -0.04 1.43 0.00 0.45 -3.28 119.30 118.89 1m4q s MET 95 Ca 0.26 -0.44 -0.01 0.00 0.00 0.00 0.00 55.69 55.51 1m4q s MET 95 Cb 0.19 -2.59 0.03 0.00 0.00 0.00 0.00 34.83 32.47 1m4q s MET 95 CO 0.39 -0.14 0.02 0.99 0.00 0.00 0.00 175.02 176.28 1m4q s THR 96 N -2.49 0.08 0.19 10.11 2.01 -1.21 -4.66 115.64 119.67 1m4q s THR 96 Ca 0.46 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 1m4q s THR 96 Cb -0.10 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.09 1m4q s THR 96 CO 0.37 0.16 1.28 -0.63 -0.69 0.00 0.00 174.62 175.12 1m4q s ILE 97 N 1.47 3.30 -0.41 1.82 1.01 -1.26 -2.22 121.20 124.91 1m4q s ILE 97 Ca -0.04 1.07 -0.10 0.00 0.00 0.00 0.00 60.65 61.59 1m4q s ILE 97 Cb -0.13 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.72 1m4q s ILE 97 CO -0.03 0.16 0.25 -0.75 0.00 0.00 0.00 174.94 174.58 1m4q s LYS 98 N -0.12 2.66 0.41 2.79 2.36 0.22 -4.88 119.74 123.17 1m4q s LYS 98 Ca 0.56 -1.39 -0.25 0.00 -2.55 0.00 0.00 55.97 52.35 1m4q s LYS 98 Cb -0.35 -3.78 -0.08 0.00 -1.05 0.00 0.00 37.83 32.56 1m4q s LYS 98 CO 0.38 -0.91 1.15 0.95 1.55 0.00 0.00 175.35 178.47 1m4q s THR 99 N 1.45 3.21 0.02 3.43 -4.23 -1.26 -4.61 115.64 113.65 1m4q s THR 99 Ca 0.03 0.98 -0.14 0.00 -1.18 0.00 0.00 61.69 61.38 1m4q s THR 99 Cb -0.22 -3.54 0.05 0.00 1.34 0.00 0.00 72.50 70.13 1m4q s THR 99 CO 0.03 0.06 0.64 0.61 -0.54 0.00 0.00 174.62 175.42 1m4q n GLY 100 N 0.57 0.58 0.36 3.99 0.00 -0.65 -4.91 105.19 105.12 1m4q n GLY 100 Ca 0.05 -0.98 0.18 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.00 0.00 1.61 2.10 -1.96 -3.04 116.57 115.28 1m4q h LYS 101 Ca -0.12 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.47 1m4q h LYS 101 Cb 0.63 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 1m4q h LYS 101 CO 0.17 0.00 -0.94 0.72 -2.00 0.00 0.00 179.45 177.41 1m4q n HIS 102 N -3.70 0.47 -2.88 0.07 8.25 -1.26 -4.83 115.22 111.34 1m4q n HIS 102 Ca 0.04 0.20 -0.35 0.00 -0.26 0.00 0.00 57.72 57.35 1m4q n HIS 102 Cb 0.45 -0.70 -0.07 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.56 4.37 -0.04 1.59 1.01 -1.15 0.12 120.40 123.74 1m4q s VAL 103 Ca -0.24 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1m4q s VAL 103 Cb 0.04 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1m4q s VAL 103 CO 0.36 -0.02 -0.04 0.44 0.00 0.00 0.00 175.10 175.83 1m4q h ASP 104 N 2.73 0.00 0.00 3.32 3.32 -1.74 -1.74 116.42 122.32 1m4q h ASP 104 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1m4q h ASP 104 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1m4q h ASP 104 CO 0.64 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 178.36 1m4q n ALA 105 N -2.58 0.00 0.09 3.45 0.00 -1.26 -4.60 120.51 115.62 1m4q n ALA 105 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1m4q n ALA 105 Cb 0.06 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.78 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 3.21 0.00 0.00 4.13 -1.26 -4.90 115.26 116.44 1m4q n ASN 106 Ca 0.00 -2.01 0.00 0.00 1.68 0.00 0.00 54.58 54.25 1m4q n ASN 106 Cb 0.00 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m4q n GLY 107 N 1.44 2.18 3.75 7.41 0.00 -1.26 -4.84 105.19 113.87 1m4q n GLY 107 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1m4q n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4q s LYS 108 N -0.93 4.39 -0.17 1.61 -2.85 -1.26 -0.10 119.74 120.43 1m4q s LYS 108 Ca 0.00 2.11 -0.28 0.00 -1.00 0.00 0.00 55.97 56.80 1m4q s LYS 108 Cb 0.00 -3.14 -0.00 0.00 -2.06 0.00 0.00 37.83 32.63 1m4q s LYS 108 CO 0.00 -0.19 0.97 0.42 0.10 0.00 0.00 175.35 176.65 1m4q s ILE 109 N -0.51 4.77 -1.12 3.79 1.01 -0.32 -2.79 121.20 126.02 1m4q s ILE 109 Ca 0.53 1.92 -0.05 0.00 0.00 0.00 0.00 60.65 63.05 1m4q s ILE 109 Cb -0.38 -4.26 0.28 0.00 0.01 0.00 0.00 42.46 38.11 1m4q s ILE 109 CO 0.45 -0.06 1.53 0.00 0.00 0.00 0.00 174.94 176.85 1m4q n TYR 110 N 5.59 2.59 -3.38 3.97 9.36 0.31 -4.89 117.16 130.71 1m4q n TYR 110 Ca 0.09 -2.71 -0.02 0.00 3.32 0.00 0.00 57.90 58.59 1m4q n TYR 110 Cb 0.48 -1.41 -0.04 0.00 -0.63 0.00 0.00 39.34 37.73 1m4q n TYR 110 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1m4q s LEU 111 N -2.19 -1.08 -0.69 2.98 1.98 -1.26 -4.54 118.68 113.88 1m4q s LEU 111 Ca 0.33 0.94 -0.12 0.00 -2.89 0.00 0.00 54.13 52.38 1m4q s LEU 111 Cb 0.05 1.88 -0.10 0.00 0.66 0.00 0.00 46.19 48.68 1m4q s LEU 111 CO 0.08 -0.25 1.87 -0.81 -1.89 0.00 0.00 176.35 175.34 1m4q n PRO 112 N 5.42 1.48 0.28 0.98 -0.04 -1.26 -4.66 135.00 137.19 1m4q n PRO 112 Ca -0.05 -1.43 -0.11 0.00 -0.04 0.00 0.00 63.50 61.87 1m4q n PRO 112 Cb 0.50 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 1m4q n PRO 112 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4q h TYR 113 N 7.30 -0.71 -0.12 0.54 0.05 -1.97 -1.48 116.97 120.60 1m4q h TYR 113 Ca 0.39 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 59.00 1m4q h TYR 113 Cb 0.34 0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 1m4q h TYR 113 CO 1.67 -0.42 -0.59 -0.07 -1.05 0.00 0.00 178.16 177.70 1m4q h LEU 114 N -0.72 0.42 -1.00 3.88 4.07 -1.94 -2.81 115.31 117.20 1m4q h LEU 114 Ca -0.07 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1m4q h LEU 114 Cb 0.56 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1m4q h LEU 114 CO 0.10 0.91 0.00 1.57 -1.08 0.00 0.00 178.44 179.95 1m4q n HIS 115 N -3.91 0.64 -0.03 1.13 -0.00 -1.21 -2.95 115.22 108.88 1m4q n HIS 115 Ca -0.03 0.30 -0.02 0.00 0.46 0.00 0.00 57.72 58.43 1m4q n HIS 115 Cb 0.61 -0.99 -0.01 0.00 -0.12 0.00 0.00 29.99 29.49 1m4q n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1m4q n GLU 116 N -2.13 0.18 0.00 1.57 2.13 -0.56 -4.91 120.64 116.91 1m4q n GLU 116 Ca -0.00 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1m4q n GLU 116 Cb 0.09 -0.97 0.00 0.00 0.27 0.00 0.00 31.44 30.83 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 -3.15 0.00 -3.66 4.31 -0.00 -1.16 -4.95 117.44 108.82 1m4q n TRP 117 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.17 1m4q n TRP 117 Cb 0.14 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.48 1m4q n TRP 117 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1m4q n LYS 118 N -0.09 -1.20 0.02 5.87 5.02 -1.15 -4.92 118.16 121.72 1m4q n LYS 118 Ca 0.00 0.55 -0.16 0.00 -2.02 0.00 0.00 58.31 56.68 1m4q n LYS 118 Cb 0.00 -3.99 -0.06 0.00 -0.02 0.00 0.00 35.03 30.96 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1m4q h HIS 119 N -1.58 0.90 0.11 2.13 2.76 -1.92 -3.47 115.15 114.06 1m4q h HIS 119 Ca -0.61 -0.44 -0.01 0.00 -2.20 0.00 0.00 60.37 57.12 1m4q h HIS 119 Cb 1.34 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1m4q h HIS 119 CO 0.32 1.26 -0.05 -1.00 -1.30 0.00 0.00 177.93 177.15 1m4q h PRO 120 N 0.40 -0.14 0.00 5.26 0.13 -1.99 -3.50 132.00 132.16 1m4q h PRO 120 Ca -0.08 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1m4q h PRO 120 Cb 1.50 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.66 1m4q h PRO 120 CO 0.17 -0.09 0.00 0.94 -0.23 0.00 0.00 178.00 178.79 1m4q n GLN 121 N -2.72 0.00 -2.97 0.86 -0.06 -1.26 -4.94 117.38 106.30 1m4q n GLN 121 Ca -0.02 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.64 1m4q n GLN 121 Cb 0.06 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.17 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1m4q s SER 122 N 0.00 7.02 0.54 1.69 0.15 -1.26 -5.08 113.70 116.76 1m4q s SER 122 Ca 0.00 1.55 0.03 0.00 0.70 0.00 0.00 55.95 58.22 1m4q s SER 122 Cb 0.00 -2.47 0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1m4q s SER 122 CO 0.00 -0.15 0.22 0.47 1.20 0.00 0.00 173.24 174.98 1m4q n ASP 123 N 0.07 3.10 -0.01 5.45 9.92 -1.26 -4.98 116.55 128.83 1m4q n ASP 123 Ca 0.02 -3.09 0.23 0.00 -0.53 0.00 0.00 54.79 51.43 1m4q n ASP 123 Cb 0.52 0.15 0.72 0.00 -0.64 0.00 0.00 41.12 41.88 1m4q n ASP 123 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1m4q h LEU 124 N 0.00 0.00 0.42 0.64 4.07 -1.98 -1.74 115.31 116.73 1m4q h LEU 124 Ca -0.39 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.55 1m4q h LEU 124 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1m4q h LEU 124 CO 0.63 0.00 -0.20 -0.07 -1.08 0.00 0.00 178.44 177.72 1m4q h LEU 125 N 0.00 -0.48 -1.83 1.67 4.07 -1.95 -2.98 115.31 113.82 1m4q h LEU 125 Ca 0.27 -0.11 0.09 0.00 0.08 0.00 0.00 57.88 58.21 1m4q h LEU 125 Cb 1.27 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.12 1m4q h LEU 125 CO -0.00 -0.09 0.29 1.23 -1.08 0.00 0.00 178.44 178.79 1m4q h GLY 126 N -0.95 0.27 0.23 0.83 0.00 -1.72 -1.20 103.07 100.53 1m4q h GLY 126 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1m4q h GLY 126 CO 0.10 0.06 -0.13 -2.00 0.00 0.00 0.00 176.54 174.57 1m4q h LEU 127 N 0.20 -0.31 -1.73 3.11 6.46 -1.35 -2.14 115.31 119.55 1m4q h LEU 127 Ca 0.20 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.03 1m4q h LEU 127 Cb 0.52 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1m4q h LEU 127 CO -0.03 -0.20 0.29 0.40 -0.62 0.00 0.00 178.44 178.28 1m4q h ILE 128 N -0.33 0.95 -0.67 4.05 5.03 -1.39 -1.83 117.51 123.32 1m4q h ILE 128 Ca -0.03 -0.11 0.06 0.00 -0.12 0.00 0.00 64.86 64.65 1m4q h ILE 128 Cb 0.26 0.59 -0.05 0.00 -3.03 0.00 0.00 36.82 34.59 1m4q h ILE 128 CO 0.04 0.06 0.37 -0.61 -0.68 0.00 0.00 178.15 177.33 1m4q h GLN 129 N 0.33 0.67 -0.13 2.37 -0.00 -1.07 0.16 115.11 117.44 1m4q h GLN 129 Ca 0.19 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.79 1m4q h GLN 129 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 1m4q h GLN 129 CO -0.04 0.44 0.03 0.28 0.00 0.00 0.00 178.83 179.54 1m4q h VAL 130 N 0.69 1.20 -0.42 2.39 2.07 -0.65 -0.51 116.25 121.03 1m4q h VAL 130 Ca 0.30 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1m4q h VAL 130 Cb 0.18 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1m4q h VAL 130 CO -0.18 0.18 0.28 -0.03 0.02 0.00 0.00 177.57 177.85 1m4q h MET 131 N 0.01 0.40 -0.36 1.57 1.85 -1.24 0.71 114.93 117.88 1m4q h MET 131 Ca 0.04 -0.02 -0.16 0.00 -0.61 0.00 0.00 59.70 58.95 1m4q h MET 131 Cb 0.26 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.19 1m4q h MET 131 CO 0.00 0.26 -0.39 0.82 -0.40 0.00 0.00 176.91 177.20 1m4q h ILE 132 N 0.41 1.28 0.16 1.77 2.04 -0.25 0.30 117.51 123.21 1m4q h ILE 132 Ca 0.17 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 1m4q h ILE 132 Cb 0.18 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1m4q h ILE 132 CO -0.04 0.52 -0.08 0.58 0.00 0.00 0.00 178.15 179.13 1m4q h VAL 133 N 0.70 0.97 0.15 1.67 2.07 0.21 0.79 116.25 122.81 1m4q h VAL 133 Ca 0.05 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1m4q h VAL 133 Cb 0.99 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1m4q h VAL 133 CO 0.10 0.15 -0.07 0.58 0.02 0.00 0.00 177.57 178.35 1m4q h VAL 134 N -0.54 0.87 0.00 2.57 2.07 -0.96 -2.10 116.25 118.16 1m4q h VAL 134 Ca -0.02 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1m4q h VAL 134 Cb 0.41 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1m4q h VAL 134 CO 0.04 0.01 0.00 -0.26 0.02 0.00 0.00 177.57 177.37 1m4q h PHE 135 N -0.21 0.00 -0.96 1.57 -1.00 -0.98 0.24 116.94 115.60 1m4q h PHE 135 Ca -0.02 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.78 1m4q h PHE 135 Cb 0.16 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.68 1m4q h PHE 135 CO -0.06 0.00 0.63 0.78 -1.61 0.00 0.00 178.31 178.05 1m4q h GLY 136 N 1.43 1.36 0.00 -1.45 0.00 -0.10 -3.33 103.07 100.98 1m4q h GLY 136 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 47.33 46.64 1m4q h GLY 136 CO 0.00 0.47 -1.74 1.22 0.00 0.00 0.00 176.54 176.49 1m4q n ASP 137 N -4.40 2.94 -4.51 0.19 9.92 -1.12 -4.17 116.55 115.40 1m4q n ASP 137 Ca 0.12 -0.06 -0.43 0.00 -0.53 0.00 0.00 54.79 53.88 1m4q n ASP 137 Cb 0.03 -0.21 -0.05 0.00 -0.64 0.00 0.00 41.12 40.25 1m4q n ASP 137 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1m4q s GLU 138 N -2.26 3.31 -0.35 -1.24 0.41 0.06 -5.01 118.70 113.61 1m4q s GLU 138 Ca -0.18 -0.35 -0.29 0.00 -0.41 0.00 0.00 54.97 53.75 1m4q s GLU 138 Cb 0.05 -4.03 -0.00 0.00 -1.78 0.00 0.00 34.13 28.37 1m4q s GLU 138 CO 0.30 -1.31 1.55 -1.25 -0.49 0.00 0.00 175.26 174.06 1m4q s PRO 139 N 3.45 3.55 0.14 0.39 0.04 -1.26 -4.07 135.00 137.24 1m4q s PRO 139 Ca 0.27 1.21 0.15 0.00 0.04 0.00 0.00 61.00 62.67 1m4q s PRO 139 Cb -0.14 -4.07 -0.07 0.00 0.04 0.00 0.00 34.50 30.26 1m4q s PRO 139 CO 0.19 -1.59 1.09 -1.00 0.04 0.00 0.00 177.00 175.73 1m4q h PRO 140 N 11.27 0.00 -1.29 0.56 0.13 -1.87 -3.44 132.00 137.37 1m4q h PRO 140 Ca -0.30 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.62 1m4q h PRO 140 Cb 1.13 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.04 1m4q h PRO 140 CO 1.05 0.45 -0.56 0.54 -0.23 0.00 0.00 178.00 179.25 1m4q s VAL 141 N -2.90 -0.75 -0.09 1.56 0.11 -1.26 0.70 120.40 117.77 1m4q s VAL 141 Ca -0.00 -0.91 -0.21 0.00 -2.93 0.00 0.00 61.98 57.93 1m4q s VAL 141 Cb 0.08 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 1m4q s VAL 141 CO 0.79 -0.23 0.59 0.72 -3.33 0.00 0.00 175.10 173.64 1m4q s PHE 142 N 1.13 3.54 0.59 1.54 -0.12 -0.94 -4.69 117.98 119.03 1m4q s PHE 142 Ca 0.24 1.07 -0.04 0.00 -0.05 0.00 0.00 56.93 58.15 1m4q s PHE 142 Cb -0.03 -2.68 0.02 0.00 -0.63 0.00 0.00 43.02 39.70 1m4q s PHE 142 CO -0.07 0.12 0.87 0.45 -0.05 0.00 0.00 175.22 176.54 1m4q s SER 143 N 0.73 5.38 0.43 1.98 0.15 -1.26 -3.33 113.70 117.78 1m4q s SER 143 Ca 0.32 0.47 -0.23 0.00 0.70 0.00 0.00 55.95 57.21 1m4q s SER 143 Cb -0.16 -1.40 -0.09 0.00 -1.71 0.00 0.00 66.02 62.66 1m4q s SER 143 CO 0.14 -1.16 1.05 0.00 1.20 0.00 0.00 173.24 174.47 1m4q s ARG 144 N -4.95 4.05 0.00 5.44 1.70 -1.21 -4.91 118.95 119.07 1m4q s ARG 144 Ca 0.55 1.46 0.18 0.00 -0.47 0.00 0.00 55.73 57.46 1m4q s ARG 144 Cb -0.10 -2.40 1.09 0.00 -0.57 0.00 0.00 34.95 32.96 1m4q s ARG 144 CO 0.43 -0.23 1.48 -0.35 -1.08 0.00 0.00 175.30 175.55