#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 0.81 0.83 0.00 0.31 -1.26 -4.46 118.33 114.56 1m4q n VAL 3 Ca 0.00 -0.49 0.13 0.00 -0.01 0.00 0.00 64.34 63.97 1m4q n VAL 3 Cb 0.00 -0.70 0.53 0.00 -0.91 0.00 0.00 33.84 32.75 1m4q n VAL 3 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1m4q n SER 4 N -2.46 0.28 -0.28 4.52 2.88 -1.26 -3.71 113.62 113.59 1m4q n SER 4 Ca -0.20 0.53 0.07 0.00 -1.33 0.00 0.00 58.87 57.95 1m4q n SER 4 Cb 0.88 -0.61 0.22 0.00 -0.75 0.00 0.00 64.21 63.95 1m4q n SER 4 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1m4q h GLU 5 N 0.00 0.45 0.51 -1.46 -0.00 -1.99 1.14 114.58 113.24 1m4q h GLU 5 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.31 1m4q h GLU 5 Cb 0.55 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.21 1m4q h GLU 5 CO 0.00 0.30 -0.25 1.03 -0.00 0.00 0.00 179.01 180.09 1m4q h SER 6 N 0.46 -0.61 0.70 3.06 0.87 -1.88 -1.96 113.55 114.19 1m4q h SER 6 Ca 0.45 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1m4q h SER 6 Cb 0.72 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1m4q h SER 6 CO -0.43 -0.42 0.00 -0.61 -0.53 0.00 0.00 176.83 174.84 1m4q h GLN 7 N -0.69 0.00 0.15 2.24 4.15 -1.51 -3.10 115.11 116.34 1m4q h GLN 7 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1m4q h GLN 7 Cb 0.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1m4q h GLN 7 CO 0.11 0.00 -0.13 1.25 -1.93 0.00 0.00 178.83 178.13 1m4q h LEU 8 N 0.00 -0.33 -1.34 -2.39 6.46 0.21 -2.00 115.31 115.92 1m4q h LEU 8 Ca 0.00 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 57.93 1m4q h LEU 8 Cb 0.35 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.32 1m4q h LEU 8 CO 0.00 -0.20 0.56 0.50 -0.62 0.00 0.00 178.44 178.68 1m4q h LYS 9 N -0.29 0.63 0.00 1.25 3.64 -1.47 0.16 116.57 120.49 1m4q h LYS 9 Ca -0.00 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1m4q h LYS 9 Cb 0.27 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1m4q h LYS 9 CO -0.02 0.41 -0.43 0.87 -2.27 0.00 0.00 179.45 178.01 1m4q h LYS 10 N 0.65 0.00 0.00 1.90 1.57 -1.58 -1.23 116.57 117.87 1m4q h LYS 10 Ca 0.43 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1m4q h LYS 10 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1m4q h LYS 10 CO -0.19 0.43 -0.08 1.98 -0.57 0.00 0.00 179.45 181.03 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 0.05 -3.40 114.93 118.78 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 0.82 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1m4q h MET 11 CO 0.06 0.08 0.00 1.33 0.23 0.00 0.00 176.91 178.61 1m4q n VAL 12 N -4.33 0.00 0.00 -5.77 0.24 -1.03 -4.95 118.33 102.49 1m4q n VAL 12 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1m4q n VAL 12 Cb 0.16 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 1m4q n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4q n SER 13 N -0.35 0.00 -2.80 -1.34 2.88 -0.50 -4.64 113.62 106.87 1m4q n SER 13 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1m4q n SER 13 Cb 0.00 -0.09 0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m4q n LYS 14 N -1.29 0.79 -3.63 -1.46 5.02 -1.26 -4.84 118.16 111.49 1m4q n LYS 14 Ca 0.00 -1.91 -0.03 0.00 -2.02 0.00 0.00 58.31 54.35 1m4q n LYS 14 Cb 0.00 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 1m4q n LYS 14 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1m4q s TYR 15 N 0.46 -0.67 -0.82 2.13 6.14 -1.26 -4.95 117.35 118.38 1m4q s TYR 15 Ca 0.32 1.31 -0.10 0.00 0.64 0.00 0.00 57.07 59.24 1m4q s TYR 15 Cb 0.23 0.40 0.10 0.00 0.42 0.00 0.00 41.96 43.11 1m4q s TYR 15 CO -0.22 -0.33 0.26 1.17 0.64 0.00 0.00 175.55 177.07 1m4q n LYS 16 N 3.92 -1.30 -2.70 4.97 4.81 -0.74 -1.75 118.16 125.37 1m4q n LYS 16 Ca -0.18 0.06 -0.02 0.00 -0.87 0.00 0.00 58.31 57.30 1m4q n LYS 16 Cb 0.57 -3.00 0.00 0.00 0.02 0.00 0.00 35.03 32.63 1m4q n LYS 16 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1m4q n TYR 17 N -2.41 -3.70 -0.29 5.64 4.01 -1.26 -3.94 117.16 115.21 1m4q n TYR 17 Ca 0.05 1.60 0.08 0.00 -0.16 0.00 0.00 57.90 59.47 1m4q n TYR 17 Cb 0.30 -3.94 0.19 0.00 -0.31 0.00 0.00 39.34 35.58 1m4q n TYR 17 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1m4q h ARG 18 N 2.63 0.08 0.20 -0.72 0.11 -1.67 0.71 114.38 115.72 1m4q h ARG 18 Ca 0.00 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1m4q h ARG 18 Cb 0.28 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 1m4q h ARG 18 CO 0.12 0.05 -0.16 0.22 0.10 0.00 0.00 179.97 180.30 1m4q h ASP 19 N 0.08 -0.42 0.08 0.08 1.82 -1.89 0.79 116.42 116.97 1m4q h ASP 19 Ca 0.47 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 57.07 1m4q h ASP 19 Cb 0.86 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 1m4q h ASP 19 CO -0.75 -0.25 -0.22 0.25 -1.61 0.00 0.00 179.24 176.65 1m4q h LEU 20 N -0.37 0.25 -0.00 2.28 7.12 -1.33 -1.82 115.31 121.45 1m4q h LEU 20 Ca -0.01 -0.07 -0.12 0.00 0.13 0.00 0.00 57.88 57.82 1m4q h LEU 20 Cb 0.33 -0.07 0.01 0.00 -0.53 0.00 0.00 40.66 40.41 1m4q h LEU 20 CO -0.01 0.49 -0.45 0.74 -0.13 0.00 0.00 178.44 179.08 1m4q h THR 21 N 0.24 1.48 -0.27 1.05 2.02 0.71 -2.66 112.91 115.48 1m4q h THR 21 Ca 0.04 -2.03 0.02 0.00 0.77 0.00 0.00 66.41 65.22 1m4q h THR 21 Cb 0.53 2.68 -0.03 0.00 -1.74 0.00 0.00 68.15 69.60 1m4q h THR 21 CO 0.04 0.58 0.11 0.58 0.37 0.00 0.00 175.52 177.19 1m4q h VAL 22 N -0.28 0.96 -0.48 3.16 2.07 0.69 0.36 116.25 122.73 1m4q h VAL 22 Ca -0.06 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1m4q h VAL 22 Cb 1.18 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1m4q h VAL 22 CO 0.09 0.04 0.30 -0.09 0.02 0.00 0.00 177.57 177.94 1m4q h ARG 23 N 0.24 0.60 -0.47 1.57 9.65 -1.42 0.18 114.38 124.73 1m4q h ARG 23 Ca 0.11 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1m4q h ARG 23 Cb 0.06 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1m4q h ARG 23 CO -0.10 0.40 0.13 0.93 2.80 0.00 0.00 179.97 184.12 1m4q h GLU 24 N 0.62 0.74 0.69 0.20 5.08 -1.09 -1.61 114.58 119.21 1m4q h GLU 24 Ca 0.18 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1m4q h GLU 24 Cb -0.04 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.12 1m4q h GLU 24 CO -0.06 0.72 -0.33 1.15 -1.00 0.00 0.00 179.01 179.49 1m4q h THR 25 N 0.63 0.28 -0.91 1.13 2.02 0.12 -2.63 112.91 113.55 1m4q h THR 25 Ca 0.15 -0.10 0.14 0.00 0.77 0.00 0.00 66.41 67.37 1m4q h THR 25 Cb 0.30 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 66.94 1m4q h THR 25 CO -0.00 0.01 0.52 -0.37 0.37 0.00 0.00 175.52 176.06 1m4q h VAL 26 N -1.00 0.81 -0.35 3.16 -1.51 -0.65 -1.52 116.25 115.20 1m4q h VAL 26 Ca -0.09 -0.27 0.05 0.00 -1.23 0.00 0.00 66.70 65.16 1m4q h VAL 26 Cb 0.73 -0.04 -0.05 0.00 -2.13 0.00 0.00 31.29 29.81 1m4q h VAL 26 CO 0.16 0.14 0.05 0.78 -1.23 0.00 0.00 177.57 177.47 1m4q h ASN 27 N 0.78 -0.03 0.68 4.19 4.21 -1.16 0.88 115.58 125.13 1m4q h ASN 27 Ca 0.48 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 58.02 1m4q h ASN 27 Cb 0.60 0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.90 1m4q h ASN 27 CO -0.32 0.02 -0.32 0.58 -1.29 0.00 0.00 177.43 176.10 1m4q h VAL 28 N 0.16 0.21 -0.98 2.81 2.07 -0.94 -0.33 116.25 119.25 1m4q h VAL 28 Ca 0.16 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1m4q h VAL 28 Cb 0.20 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1m4q h VAL 28 CO -0.23 0.02 0.65 0.16 0.02 0.00 0.00 177.57 178.19 1m4q h ILE 29 N -1.10 1.24 0.00 4.57 3.07 -1.22 -0.52 117.51 123.55 1m4q h ILE 29 Ca -0.09 -0.45 -0.06 0.00 1.55 0.00 0.00 64.86 65.80 1m4q h ILE 29 Cb 0.73 -0.20 -0.01 0.00 -0.27 0.00 0.00 36.82 37.07 1m4q h ILE 29 CO 0.15 0.24 -0.30 0.74 -1.05 0.00 0.00 178.15 177.93 1m4q h THR 30 N 1.32 0.88 0.23 0.16 2.02 0.81 1.16 112.91 119.50 1m4q h THR 30 Ca 0.37 -1.21 -0.33 0.00 0.77 0.00 0.00 66.41 66.01 1m4q h THR 30 Cb -0.13 1.72 0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1m4q h THR 30 CO -0.08 0.30 -1.51 0.25 0.37 0.00 0.00 175.52 174.85 1m4q h LEU 31 N 0.00 0.77 0.04 2.58 5.85 -0.10 -3.35 115.31 121.10 1m4q h LEU 31 Ca -0.00 -0.87 -0.30 0.00 0.84 0.00 0.00 57.88 57.55 1m4q h LEU 31 Cb 0.70 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1m4q h LEU 31 CO 0.04 1.69 -1.71 1.88 -0.34 0.00 0.00 178.44 180.00 1m4q h TYR 32 N 0.13 0.15 0.00 1.25 0.05 -1.05 -3.48 116.97 114.03 1m4q h TYR 32 Ca -0.26 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.41 1m4q h TYR 32 Cb 2.14 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.88 1m4q h TYR 32 CO 0.12 1.21 0.00 0.36 -1.05 0.00 0.00 178.16 178.80 1m4q n LYS 33 N -3.20 -1.37 -0.01 4.88 -0.00 0.40 -4.73 118.16 114.14 1m4q n LYS 33 Ca -0.19 0.34 0.01 0.00 -0.00 0.00 0.00 58.31 58.47 1m4q n LYS 33 Cb 1.04 -4.42 -0.02 0.00 -0.00 0.00 0.00 35.03 31.63 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 -0.68 4.33 -4.91 -5.58 8.00 -1.26 -5.05 116.55 111.41 1m4q n ASP 34 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1m4q n ASP 34 Cb 0.34 0.95 0.03 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 -3.52 3.18 -0.14 0.64 1.02 -1.26 -3.32 118.68 115.28 1m4q s LEU 35 Ca -0.01 0.76 -0.11 0.00 0.02 0.00 0.00 54.13 54.80 1m4q s LEU 35 Cb 0.02 -3.58 0.04 0.00 0.02 0.00 0.00 46.19 42.68 1m4q s LEU 35 CO 0.12 -1.11 0.35 -0.75 0.02 0.00 0.00 176.35 174.98 1m4q s LYS 36 N -5.04 0.38 0.20 1.70 2.20 0.29 -4.78 119.74 114.69 1m4q s LYS 36 Ca 0.55 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.42 1m4q s LYS 36 Cb -0.11 0.11 -0.08 0.00 -1.51 0.00 0.00 37.83 36.24 1m4q s LYS 36 CO 0.46 -0.09 1.24 -1.25 -0.36 0.00 0.00 175.35 175.36 1m4q s PRO 37 N 0.60 4.45 0.13 4.03 0.04 -1.26 -0.64 135.00 142.35 1m4q s PRO 37 Ca -0.03 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.00 1m4q s PRO 37 Cb -0.05 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1m4q s PRO 37 CO -0.04 -0.15 -0.09 0.54 0.04 0.00 0.00 177.00 177.30 1m4q s VAL 38 N -0.06 1.04 0.04 -0.36 0.11 0.20 -4.89 120.40 116.49 1m4q s VAL 38 Ca 0.54 -1.99 -0.07 0.00 -2.93 0.00 0.00 61.98 57.54 1m4q s VAL 38 Cb -0.34 -1.76 -0.01 0.00 -1.53 0.00 0.00 36.38 32.74 1m4q s VAL 38 CO 0.38 -0.75 0.12 -0.22 -3.33 0.00 0.00 175.10 171.30 1m4q s LEU 39 N -3.06 1.69 -0.29 2.54 0.20 -1.26 0.10 118.68 118.60 1m4q s LEU 39 Ca 0.14 -0.52 -0.14 0.00 0.69 0.00 0.00 54.13 54.30 1m4q s LEU 39 Cb 0.02 0.71 0.11 0.00 -0.43 0.00 0.00 46.19 46.61 1m4q s LEU 39 CO -0.01 -0.54 0.76 -1.81 -0.29 0.00 0.00 176.35 174.46 1m4q s ASP 40 N -2.21 -0.88 -0.08 3.68 1.01 -1.03 -4.95 116.67 112.21 1m4q s ASP 40 Ca -0.04 1.33 -0.29 0.00 0.71 0.00 0.00 52.55 54.27 1m4q s ASP 40 Cb -0.00 1.63 -0.02 0.00 1.01 0.00 0.00 42.92 45.54 1m4q s ASP 40 CO -0.05 -0.20 0.95 -0.55 0.21 0.00 0.00 175.17 175.53 1m4q s SER 41 N 2.00 7.23 0.02 0.27 0.15 -1.26 -3.22 113.70 118.90 1m4q s SER 41 Ca -0.08 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1m4q s SER 41 Cb -0.07 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1m4q s SER 41 CO -0.19 -0.36 -0.04 -0.47 1.20 0.00 0.00 173.24 173.39 1m4q s TYR 42 N 1.63 0.33 0.29 3.44 5.04 -0.98 -4.80 117.35 122.30 1m4q s TYR 42 Ca 0.47 -0.51 -0.17 0.00 -2.44 0.00 0.00 57.07 54.43 1m4q s TYR 42 Cb -0.19 -0.23 -0.09 0.00 0.35 0.00 0.00 41.96 41.81 1m4q s TYR 42 CO 0.20 -0.16 0.73 0.14 -1.34 0.00 0.00 175.55 175.12 1m4q s VAL 43 N -1.40 4.63 0.11 3.14 -7.23 -1.26 0.11 120.40 118.50 1m4q s VAL 43 Ca -0.14 1.08 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 1m4q s VAL 43 Cb -0.10 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1m4q s VAL 43 CO -0.01 -0.04 0.00 0.49 -0.31 0.00 0.00 175.10 175.24 1m4q n PHE 44 N 0.05 -1.60 -1.51 2.82 3.72 -1.12 -4.73 117.46 115.07 1m4q n PHE 44 Ca 0.01 0.27 -0.13 0.00 -0.05 0.00 0.00 57.45 57.55 1m4q n PHE 44 Cb 0.52 0.89 -0.10 0.00 -0.94 0.00 0.00 39.48 39.86 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 -2.80 1.00 -1.92 4.37 5.03 -1.26 -3.04 115.26 116.64 1m4q n ASN 45 Ca 0.00 -1.97 -0.12 0.00 0.87 0.00 0.00 54.58 53.37 1m4q n ASN 45 Cb 0.00 -1.54 -0.03 0.00 -1.02 0.00 0.00 39.78 37.19 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1m4q n ASP 46 N 17.41 -3.48 -0.09 6.41 8.00 -1.26 -3.49 116.55 140.05 1m4q n ASP 46 Ca 0.40 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1m4q n ASP 46 Cb 0.44 -3.11 0.00 0.00 -0.02 0.00 0.00 41.12 38.43 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 -0.52 0.69 3.02 0.44 0.00 -1.17 -5.12 105.19 102.52 1m4q n GLY 47 Ca -0.13 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.03 -0.52 0.42 1.61 0.01 -1.23 -4.85 113.70 108.10 1m4q s SER 48 Ca 0.00 0.16 -0.22 0.00 1.31 0.00 0.00 55.95 57.20 1m4q s SER 48 Cb 0.00 1.56 -0.13 0.00 0.21 0.00 0.00 66.02 67.66 1m4q s SER 48 CO 0.00 -0.31 0.47 -1.54 0.41 0.00 0.00 173.24 172.28 1m4q n SER 49 N 5.39 -1.20 -3.80 2.44 3.41 -1.25 -2.80 113.62 115.81 1m4q n SER 49 Ca 0.00 0.89 -0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1m4q n SER 49 Cb 0.51 -1.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.25 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 -1.49 0.10 -1.07 4.33 3.52 0.30 -4.83 118.95 119.80 1m4q s ARG 50 Ca 0.63 0.24 -0.23 0.00 -0.13 0.00 0.00 55.73 56.23 1m4q s ARG 50 Cb -0.61 -0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 32.68 1m4q s ARG 50 CO 0.59 -0.09 1.88 -1.21 -0.81 0.00 0.00 175.30 175.66 1m4q s GLU 51 N 0.57 2.75 -0.40 5.12 2.02 -1.26 -2.31 118.70 125.19 1m4q s GLU 51 Ca -0.04 -0.91 -0.15 0.00 0.02 0.00 0.00 54.97 53.89 1m4q s GLU 51 Cb -0.06 -5.21 0.01 0.00 0.10 0.00 0.00 34.13 28.97 1m4q s GLU 51 CO -0.02 -3.44 0.31 -1.17 0.02 0.00 0.00 175.26 170.95 1m4q s LEU 52 N 9.51 4.97 0.45 1.80 0.20 -1.20 -4.89 118.68 129.53 1m4q s LEU 52 Ca 0.66 -0.78 -0.17 0.00 0.69 0.00 0.00 54.13 54.53 1m4q s LEU 52 Cb -0.03 -2.19 -0.09 0.00 -0.43 0.00 0.00 46.19 43.46 1m4q s LEU 52 CO 0.05 -0.43 0.92 -0.32 -0.29 0.00 0.00 176.35 176.29 1m4q s MET 53 N 1.75 4.02 0.16 1.98 1.75 -1.25 -2.47 119.30 125.23 1m4q s MET 53 Ca 0.06 0.91 -0.08 0.00 -1.25 0.00 0.00 55.69 55.33 1m4q s MET 53 Cb -0.18 -2.21 -0.01 0.00 2.84 0.00 0.00 34.83 35.26 1m4q s MET 53 CO 0.11 -0.12 0.26 -0.80 -0.65 0.00 0.00 175.02 173.82 1m4q s ASN 54 N -2.72 0.06 0.10 1.11 0.01 0.28 -1.90 114.94 111.88 1m4q s ASN 54 Ca 0.58 -0.88 0.03 0.00 -0.71 0.00 0.00 52.86 51.88 1m4q s ASN 54 Cb -0.10 0.42 -0.04 0.00 0.41 0.00 0.00 41.25 41.94 1m4q s ASN 54 CO 0.24 -0.87 0.11 -0.76 -1.51 0.00 0.00 177.10 174.31 1m4q s LEU 55 N -2.97 3.88 0.30 0.60 2.01 -0.72 0.62 118.68 122.40 1m4q s LEU 55 Ca 0.17 0.00 -0.05 0.00 0.01 0.00 0.00 54.13 54.27 1m4q s LEU 55 Cb 0.04 -2.53 -0.01 0.00 0.01 0.00 0.00 46.19 43.70 1m4q s LEU 55 CO -0.01 0.15 0.42 0.28 1.01 0.00 0.00 176.35 178.20 1m4q s THR 56 N -1.48 0.00 0.00 5.49 -1.32 0.19 -2.58 115.64 115.93 1m4q s THR 56 Ca 0.30 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 1m4q s THR 56 Cb -0.12 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1m4q s THR 56 CO 0.23 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 1m4q n GLY 57 N -0.48 2.07 3.74 6.08 0.00 -1.21 0.11 105.19 115.50 1m4q n GLY 57 Ca 0.01 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.18 5.10 -0.06 2.61 -4.23 -1.21 -1.95 115.64 113.73 1m4q s THR 58 Ca 0.00 1.07 -0.14 0.00 -1.18 0.00 0.00 61.69 61.43 1m4q s THR 58 Cb 0.00 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 1m4q s THR 58 CO 0.00 0.35 0.38 -0.63 -0.54 0.00 0.00 174.62 174.18 1m4q s ILE 59 N 0.35 5.14 -0.16 2.99 1.01 0.31 -4.19 121.20 126.66 1m4q s ILE 59 Ca 0.28 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 1m4q s ILE 59 Cb -0.16 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1m4q s ILE 59 CO 0.13 0.51 1.70 -2.16 0.00 0.00 0.00 174.94 175.12 1m4q s PRO 60 N -0.54 3.87 -0.32 2.79 0.04 -1.26 -1.45 135.00 138.13 1m4q s PRO 60 Ca 0.22 1.90 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 1m4q s PRO 60 Cb -0.15 -4.06 0.05 0.00 0.04 0.00 0.00 34.50 30.38 1m4q s PRO 60 CO 0.10 -1.21 0.04 0.08 0.04 0.00 0.00 177.00 176.05 1m4q s VAL 61 N 5.08 3.20 0.08 -0.36 1.01 0.24 -4.91 120.40 124.74 1m4q s VAL 61 Ca 0.75 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1m4q s VAL 61 Cb -0.29 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1m4q s VAL 61 CO 0.30 -0.17 1.18 -2.16 0.00 0.00 0.00 175.10 174.25 1m4q s PRO 62 N 1.28 4.46 0.00 2.72 0.04 -1.26 0.41 135.00 142.64 1m4q s PRO 62 Ca -0.03 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1m4q s PRO 62 Cb -0.20 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1m4q s PRO 62 CO -0.00 -0.20 0.00 0.98 0.04 0.00 0.00 177.00 177.81 1m4q n TYR 63 N 3.68 0.00 -1.32 0.56 9.36 0.18 -4.42 117.16 125.20 1m4q n TYR 63 Ca 0.08 0.00 -0.24 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 2.67 0.00 2.98 5.12 -1.26 -4.02 116.66 122.15 1m4q n ARG 64 Ca 0.00 -1.89 0.00 0.00 -1.93 0.00 0.00 57.85 54.03 1m4q n ARG 64 Cb 0.00 -2.23 0.00 0.00 -1.16 0.00 0.00 32.46 29.07 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m4q n GLY 65 N 2.02 0.26 0.00 -0.13 0.00 -1.26 -5.13 105.19 100.95 1m4q n GLY 65 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 -3.45 1.61 4.13 -1.26 -5.17 115.26 111.13 1m4q n ASN 66 Ca 0.00 -0.78 -0.01 0.00 1.68 0.00 0.00 54.58 55.47 1m4q n ASN 66 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1m4q s THR 67 N -1.91 -0.93 0.46 3.41 2.01 -1.26 0.51 115.64 117.93 1m4q s THR 67 Ca 0.00 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1m4q s THR 67 Cb 0.00 -0.95 0.09 0.00 0.01 0.00 0.00 72.50 71.65 1m4q s THR 67 CO 0.00 -0.00 0.64 -1.22 -0.69 0.00 0.00 174.62 173.34 1m4q n TYR 68 N 5.43 -2.83 -3.56 4.92 4.02 0.16 -4.77 117.16 120.54 1m4q n TYR 68 Ca -0.07 -1.33 -0.29 0.00 -0.01 0.00 0.00 57.90 56.20 1m4q n TYR 68 Cb 0.50 -0.45 -0.12 0.00 -0.02 0.00 0.00 39.34 39.25 1m4q n TYR 68 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1m4q s ASN 69 N -3.69 2.95 0.21 7.72 4.22 -1.26 0.80 114.94 125.90 1m4q s ASN 69 Ca 0.44 -2.68 -0.30 0.00 -2.14 0.00 0.00 52.86 48.19 1m4q s ASN 69 Cb -0.03 -0.71 -0.08 0.00 1.28 0.00 0.00 41.25 41.71 1m4q s ASN 69 CO 0.29 -0.24 1.05 -0.63 -2.04 0.00 0.00 177.10 175.52 1m4q s ILE 70 N 0.39 3.90 0.05 0.54 1.01 -0.53 -4.51 121.20 122.05 1m4q s ILE 70 Ca 0.22 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 1m4q s ILE 70 Cb -0.15 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1m4q s ILE 70 CO -0.06 0.35 1.05 -2.16 0.00 0.00 0.00 174.94 174.12 1m4q s PRO 71 N -0.77 4.55 0.20 2.79 0.04 -1.26 0.12 135.00 140.67 1m4q s PRO 71 Ca 0.46 1.54 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 1m4q s PRO 71 Cb -0.28 -3.40 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 1m4q s PRO 71 CO 0.35 -0.05 0.32 0.42 0.04 0.00 0.00 177.00 178.09 1m4q s ILE 72 N 0.73 0.03 -0.04 0.56 1.01 -0.82 -1.70 121.20 120.97 1m4q s ILE 72 Ca 0.53 -1.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 1m4q s ILE 72 Cb -0.24 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.16 1m4q s ILE 72 CO 0.29 -0.13 0.45 0.00 0.00 0.00 0.00 174.94 175.56 1m4q s LEU 74 N -1.14 0.99 -0.47 0.00 2.01 -1.07 -3.48 118.68 115.52 1m4q s LEU 74 Ca -0.12 -0.09 -0.28 0.00 0.01 0.00 0.00 54.13 53.65 1m4q s LEU 74 Cb -0.03 -0.40 0.03 0.00 0.01 0.00 0.00 46.19 45.80 1m4q s LEU 74 CO 0.06 -0.12 1.09 0.26 1.01 0.00 0.00 176.35 178.65 1m4q s TRP 75 N 1.37 2.85 -0.45 0.29 0.52 -1.22 -1.75 118.94 120.55 1m4q s TRP 75 Ca -0.04 0.66 -0.19 0.00 0.02 0.00 0.00 56.10 56.55 1m4q s TRP 75 Cb -0.13 -4.31 0.03 0.00 -1.15 0.00 0.00 33.47 27.91 1m4q s TRP 75 CO -0.02 -1.22 0.58 -0.51 0.02 0.00 0.00 176.95 175.80 1m4q s LEU 76 N 4.28 4.72 0.67 2.99 1.02 -0.80 -4.48 118.68 127.08 1m4q s LEU 76 Ca 0.46 -0.58 -0.13 0.00 0.02 0.00 0.00 54.13 53.89 1m4q s LEU 76 Cb -0.08 -2.56 -0.00 0.00 0.02 0.00 0.00 46.19 43.57 1m4q s LEU 76 CO 0.30 -0.76 1.07 -0.76 0.02 0.00 0.00 176.35 176.23 1m4q s LEU 77 N 2.59 3.28 0.47 1.79 2.01 -1.26 -3.84 118.68 123.72 1m4q s LEU 77 Ca 0.18 1.78 0.16 0.00 0.01 0.00 0.00 54.13 56.26 1m4q s LEU 77 Cb -0.16 -4.52 1.10 0.00 0.01 0.00 0.00 46.19 42.62 1m4q s LEU 77 CO 0.16 -1.48 2.04 -2.24 1.01 0.00 0.00 176.35 175.83 1m4q h ASP 78 N -0.27 0.00 0.00 2.29 2.03 -1.94 -3.43 116.42 115.10 1m4q h ASP 78 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1m4q h ASP 78 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1m4q h ASP 78 CO 0.56 0.13 0.00 1.07 -1.03 0.00 0.00 179.24 179.97 1m4q n THR 79 N -4.33 0.00 0.00 1.15 5.66 -1.26 -1.79 114.28 113.71 1m4q n THR 79 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1m4q n THR 79 Cb 0.21 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 1m4q n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1m4q n TYR 80 N 0.00 0.00 0.07 1.09 4.19 -1.26 -4.83 117.16 116.42 1m4q n TYR 80 Ca 0.00 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.09 1m4q n TYR 80 Cb 0.00 0.00 -0.13 0.00 0.49 0.00 0.00 39.34 39.70 1m4q n TYR 80 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1m4q h PRO 81 N 0.00 0.13 0.00 2.98 0.13 -2.01 -3.44 132.00 129.80 1m4q h PRO 81 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1m4q h PRO 81 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1m4q h PRO 81 CO 0.00 1.05 0.00 0.98 -0.23 0.00 0.00 178.00 179.80 1m4q n TYR 82 N -3.40 0.00 -3.94 1.56 9.36 -1.26 -5.15 117.16 114.33 1m4q n TYR 82 Ca -0.07 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.06 1m4q n TYR 82 Cb 1.00 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.63 1m4q n TYR 82 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1m4q s ASN 83 N -1.14 0.08 -0.38 2.98 -0.87 -1.26 -5.01 114.94 109.34 1m4q s ASN 83 Ca 0.00 -0.81 -0.30 0.00 -1.57 0.00 0.00 52.86 50.18 1m4q s ASN 83 Cb 0.00 0.40 -0.08 0.00 -0.02 0.00 0.00 41.25 41.54 1m4q s ASN 83 CO 0.00 -0.83 2.30 -0.81 -2.57 0.00 0.00 177.10 175.19 1m4q n PRO 84 N -0.16 1.35 -0.02 -0.60 -0.04 -1.26 -4.85 135.00 129.42 1m4q n PRO 84 Ca -0.10 0.29 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 1m4q n PRO 84 Cb 0.63 -2.98 -0.13 0.00 -0.04 0.00 0.00 33.50 30.97 1m4q n PRO 84 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1m4q h PRO 85 N 15.44 0.15 -6.28 0.54 0.13 -1.90 -3.45 132.00 136.62 1m4q h PRO 85 Ca -0.30 -0.25 -0.55 0.00 -0.87 0.00 0.00 66.00 64.03 1m4q h PRO 85 Cb 1.27 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1m4q h PRO 85 CO 1.06 1.12 1.16 0.42 -0.23 0.00 0.00 178.00 181.53 1m4q s ILE 86 N -2.37 3.38 -0.06 -3.56 1.01 -1.26 -4.98 121.20 113.36 1m4q s ILE 86 Ca -0.19 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 1m4q s ILE 86 Cb 0.01 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.21 1m4q s ILE 86 CO 0.73 -0.06 0.11 0.00 0.00 0.00 0.00 174.94 175.72 1m4q s PHE 88 N 1.87 0.26 0.06 0.00 -0.12 -1.23 -1.92 117.98 116.91 1m4q s PHE 88 Ca -0.00 -0.66 -0.10 0.00 -0.05 0.00 0.00 56.93 56.11 1m4q s PHE 88 Cb -0.12 -0.06 -0.06 0.00 -0.63 0.00 0.00 43.02 42.15 1m4q s PHE 88 CO -0.04 -0.62 0.38 0.54 -0.05 0.00 0.00 175.22 175.42 1m4q s VAL 89 N -3.91 5.12 -0.94 -2.49 0.11 0.44 -2.73 120.40 116.01 1m4q s VAL 89 Ca 0.10 0.46 -0.12 0.00 -2.93 0.00 0.00 61.98 59.49 1m4q s VAL 89 Cb 0.04 -3.64 0.24 0.00 -1.53 0.00 0.00 36.38 31.50 1m4q s VAL 89 CO -0.06 0.34 0.91 -0.54 -3.33 0.00 0.00 175.10 172.42 1m4q s LYS 90 N -1.77 3.84 0.44 1.54 1.02 -0.69 -4.70 119.74 119.42 1m4q s LYS 90 Ca 0.31 -2.76 -0.25 0.00 0.02 0.00 0.00 55.97 53.29 1m4q s LYS 90 Cb -0.14 -4.49 -0.08 0.00 -0.52 0.00 0.00 37.83 32.60 1m4q s LYS 90 CO 0.17 -1.28 1.39 -1.25 -0.92 0.00 0.00 175.35 173.46 1m4q s PRO 91 N -0.37 3.74 0.00 -1.68 0.04 -1.26 -4.56 135.00 130.91 1m4q s PRO 91 Ca 0.23 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1m4q s PRO 91 Cb -0.10 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1m4q s PRO 91 CO -0.09 -0.74 0.10 0.25 0.04 0.00 0.00 177.00 176.57 1m4q n THR 92 N -0.14 0.00 0.00 1.26 -2.24 -1.26 -5.03 114.28 106.87 1m4q n THR 92 Ca 0.05 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 1m4q n THR 92 Cb 0.42 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1m4q n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1m4q n SER 93 N -1.12 0.00 -0.81 3.42 2.88 -1.26 -4.92 113.62 111.81 1m4q n SER 93 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1m4q n SER 93 Cb 0.00 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 63.74 1m4q n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1m4q n SER 94 N 0.00 2.40 -4.94 -3.46 7.64 -1.26 -4.92 113.62 109.07 1m4q n SER 94 Ca 0.00 -1.88 -0.24 0.00 1.01 0.00 0.00 58.87 57.76 1m4q n SER 94 Cb 0.00 -0.22 0.05 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.57 2.43 -0.18 1.43 0.00 -1.26 -3.74 119.30 116.41 1m4q s MET 95 Ca 0.34 -0.42 -0.03 0.00 0.00 0.00 0.00 55.69 55.57 1m4q s MET 95 Cb 0.18 -2.31 0.06 0.00 0.00 0.00 0.00 34.83 32.76 1m4q s MET 95 CO 0.26 -0.96 0.05 0.99 0.00 0.00 0.00 175.02 175.35 1m4q s THR 96 N -3.02 0.35 0.24 10.11 2.01 -1.02 -4.89 115.64 119.42 1m4q s THR 96 Ca 0.58 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1m4q s THR 96 Cb -0.11 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 1m4q s THR 96 CO 0.42 -0.20 1.20 -0.63 -0.69 0.00 0.00 174.62 174.72 1m4q s ILE 97 N 1.94 3.35 -0.33 1.82 1.01 -1.26 -0.68 121.20 127.05 1m4q s ILE 97 Ca 0.00 1.23 -0.09 0.00 0.00 0.00 0.00 60.65 61.80 1m4q s ILE 97 Cb -0.16 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1m4q s ILE 97 CO -0.08 0.25 0.14 -0.75 0.00 0.00 0.00 174.94 174.50 1m4q s LYS 98 N -0.90 3.06 0.74 2.79 2.36 0.16 -4.89 119.74 123.06 1m4q s LYS 98 Ca 0.50 -0.90 -0.11 0.00 -2.55 0.00 0.00 55.97 52.91 1m4q s LYS 98 Cb -0.34 -3.54 0.04 0.00 -1.05 0.00 0.00 37.83 32.94 1m4q s LYS 98 CO 0.41 -0.52 1.09 0.95 1.55 0.00 0.00 175.35 178.83 1m4q s THR 99 N 1.54 3.43 -5.00 3.43 -4.23 -1.26 -4.50 115.64 109.05 1m4q s THR 99 Ca 0.03 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1m4q s THR 99 Cb -0.18 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.64 1m4q s THR 99 CO 0.05 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 1m4q n GLY 100 N -1.22 -0.99 0.34 3.99 0.00 0.18 -4.81 105.19 102.68 1m4q n GLY 100 Ca 0.09 -1.58 0.18 0.00 0.00 0.00 0.00 46.02 44.71 1m4q n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m4q h LYS 101 N 2.83 0.00 -0.01 1.61 1.57 -1.94 0.24 116.57 120.87 1m4q h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1m4q h LYS 101 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1m4q h LYS 101 CO 0.00 0.00 -0.42 0.72 -0.57 0.00 0.00 179.45 179.18 1m4q n HIS 102 N -3.38 0.00 -3.66 -1.35 8.25 -1.26 -4.31 115.22 109.51 1m4q n HIS 102 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1m4q n HIS 102 Cb 0.34 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.33 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 -2.49 0.01 -0.05 1.59 1.01 0.84 -3.68 120.40 117.62 1m4q s VAL 103 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1m4q s VAL 103 Cb 0.18 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1m4q s VAL 103 CO 0.56 -0.05 -0.04 0.44 0.00 0.00 0.00 175.10 176.01 1m4q h ASP 104 N 4.43 0.00 0.00 3.32 5.19 -1.59 0.55 116.42 128.31 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 0.26 0.25 0.00 0.00 -3.12 0.00 0.00 179.24 176.63 1m4q n ALA 105 N -2.58 0.00 -0.09 3.45 0.00 -1.26 -4.58 120.51 115.45 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 0.29 0.00 0.00 0.00 0.00 19.45 19.80 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 3.55 0.00 0.00 5.03 -1.26 -4.89 115.26 117.69 1m4q n ASN 106 Ca 0.00 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.40 1m4q n ASN 106 Cb 0.00 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1m4q n GLY 107 N 1.46 0.21 3.73 7.41 0.00 -1.26 -4.83 105.19 111.92 1m4q n GLY 107 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.92 4.37 -0.12 1.61 1.02 -1.26 -0.42 119.74 124.01 1m4q s LYS 108 Ca 0.00 2.07 -0.28 0.00 0.02 0.00 0.00 55.97 57.78 1m4q s LYS 108 Cb 0.00 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1m4q s LYS 108 CO 0.00 -0.29 0.96 0.42 -0.92 0.00 0.00 175.35 175.52 1m4q s ILE 109 N 0.27 4.81 -1.15 2.17 1.01 -0.81 -2.09 121.20 125.41 1m4q s ILE 109 Ca 0.58 1.94 -0.05 0.00 0.00 0.00 0.00 60.65 63.12 1m4q s ILE 109 Cb -0.37 -4.27 0.26 0.00 0.01 0.00 0.00 42.46 38.09 1m4q s ILE 109 CO 0.37 0.01 1.74 0.00 0.00 0.00 0.00 174.94 177.06 1m4q n TYR 110 N 5.08 2.52 -3.83 3.97 4.19 -1.24 -4.92 117.16 122.93 1m4q n TYR 110 Ca 0.08 -2.64 -0.12 0.00 3.31 0.00 0.00 57.90 58.52 1m4q n TYR 110 Cb 0.49 -1.47 -0.11 0.00 0.49 0.00 0.00 39.34 38.73 1m4q n TYR 110 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1m4q s LEU 111 N -2.38 1.40 0.04 2.98 1.43 -1.26 -4.53 118.68 116.36 1m4q s LEU 111 Ca 0.37 0.16 -0.32 0.00 -1.03 0.00 0.00 54.13 53.31 1m4q s LEU 111 Cb 0.10 0.64 -0.18 0.00 0.03 0.00 0.00 46.19 46.78 1m4q s LEU 111 CO 0.02 -0.17 1.39 1.55 0.23 0.00 0.00 176.35 179.36 1m4q h PRO 112 N 5.29 -1.02 0.00 1.29 0.13 -1.98 -3.45 132.00 132.26 1m4q h PRO 112 Ca -0.27 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1m4q h PRO 112 Cb 1.20 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1m4q h PRO 112 CO 0.40 -0.66 0.00 0.66 -0.23 0.00 0.00 178.00 178.17 1m4q n TYR 113 N -5.50 0.00 -0.04 1.56 4.01 -1.26 -2.88 117.16 113.05 1m4q n TYR 113 Ca -0.14 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.46 1m4q n TYR 113 Cb 0.43 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.37 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 0.35 -1.67 7.72 6.46 -1.92 -1.54 115.31 124.70 1m4q h LEU 114 Ca 0.00 -0.59 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1m4q h LEU 114 Cb 0.00 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1m4q h LEU 114 CO 0.00 0.88 0.00 -0.74 -0.62 0.00 0.00 178.44 177.96 1m4q h HIS 115 N -0.17 0.00 0.00 1.25 2.76 -1.90 -3.21 115.15 113.88 1m4q h HIS 115 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1m4q h HIS 115 Cb 0.83 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.79 1m4q h HIS 115 CO 0.12 0.00 -0.05 -1.91 -1.30 0.00 0.00 177.93 174.79 1m4q n GLU 116 N -2.52 0.03 0.00 5.26 2.13 -1.15 -4.94 120.64 119.44 1m4q n GLU 116 Ca -0.01 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1m4q n GLU 116 Cb 0.10 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.16 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 -2.52 0.00 -3.97 4.31 -0.00 -0.59 -4.92 117.44 109.75 1m4q n TRP 117 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.16 1m4q n TRP 117 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.33 1m4q n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1m4q n LYS 118 N 0.00 -1.51 0.03 5.87 2.85 -1.21 -4.89 118.16 119.30 1m4q n LYS 118 Ca 0.00 0.28 -0.15 0.00 -1.05 0.00 0.00 58.31 57.39 1m4q n LYS 118 Cb 0.00 -3.73 -0.05 0.00 -0.65 0.00 0.00 35.03 30.60 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1m4q h HIS 119 N -2.07 0.85 0.16 5.58 2.76 -1.91 -3.47 115.15 117.05 1m4q h HIS 119 Ca -0.67 -0.41 -0.01 0.00 -2.20 0.00 0.00 60.37 57.08 1m4q h HIS 119 Cb 1.38 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1m4q h HIS 119 CO 0.42 1.23 -0.08 -1.00 -1.30 0.00 0.00 177.93 177.20 1m4q h PRO 120 N 0.38 -0.21 0.00 5.26 0.13 -2.02 -3.50 132.00 132.04 1m4q h PRO 120 Ca -0.07 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1m4q h PRO 120 Cb 1.49 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.67 1m4q h PRO 120 CO 0.16 0.22 0.00 1.04 -0.23 0.00 0.00 178.00 179.19 1m4q n GLN 121 N -4.96 0.00 -2.83 0.86 6.02 -1.26 -4.83 117.38 110.38 1m4q n GLN 121 Ca -0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.50 1m4q n GLN 121 Cb 0.26 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.48 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1m4q s SER 122 N 0.00 7.28 0.61 1.08 0.15 -1.26 -5.06 113.70 116.50 1m4q s SER 122 Ca 0.00 1.54 0.08 0.00 0.70 0.00 0.00 55.95 58.27 1m4q s SER 122 Cb 0.00 -2.52 0.10 0.00 -1.71 0.00 0.00 66.02 61.89 1m4q s SER 122 CO 0.00 -0.15 0.84 0.47 1.20 0.00 0.00 173.24 175.60 1m4q n ASP 123 N 3.52 2.03 -0.31 5.45 9.92 -1.26 -4.88 116.55 131.02 1m4q n ASP 123 Ca 0.02 -2.50 0.24 0.00 -0.53 0.00 0.00 54.79 52.02 1m4q n ASP 123 Cb 0.51 -0.46 0.54 0.00 -0.64 0.00 0.00 41.12 41.06 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1m4q h LEU 124 N 0.00 0.38 0.01 0.64 5.85 -1.97 -0.19 115.31 120.03 1m4q h LEU 124 Ca -0.28 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1m4q h LEU 124 Cb 1.26 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1m4q h LEU 124 CO 0.39 0.08 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.49 1m4q h LEU 125 N 0.34 -0.01 -1.90 2.25 4.07 -1.93 -3.08 115.31 115.05 1m4q h LEU 125 Ca 0.58 -0.40 0.03 0.00 0.08 0.00 0.00 57.88 58.16 1m4q h LEU 125 Cb 1.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.29 1m4q h LEU 125 CO -0.25 0.40 0.13 1.23 -1.08 0.00 0.00 178.44 178.87 1m4q h GLY 126 N -0.42 0.14 0.28 0.83 0.00 -1.44 -1.92 103.07 100.54 1m4q h GLY 126 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1m4q h GLY 126 CO 0.00 0.04 -0.17 -2.00 0.00 0.00 0.00 176.54 174.42 1m4q h LEU 127 N 0.13 -0.42 -1.85 3.11 6.46 -1.15 -2.28 115.31 119.31 1m4q h LEU 127 Ca 0.08 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1m4q h LEU 127 Cb 0.16 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1m4q h LEU 127 CO -0.01 -0.26 0.24 0.40 -0.62 0.00 0.00 178.44 178.19 1m4q h ILE 128 N -0.41 0.92 -0.67 4.05 5.03 -1.52 -1.77 117.51 123.13 1m4q h ILE 128 Ca -0.04 -0.06 0.06 0.00 -0.12 0.00 0.00 64.86 64.70 1m4q h ILE 128 Cb 0.33 0.72 -0.06 0.00 -3.03 0.00 0.00 36.82 34.78 1m4q h ILE 128 CO 0.04 0.03 0.37 -0.61 -0.68 0.00 0.00 178.15 177.30 1m4q h GLN 129 N 0.19 0.66 -0.15 2.37 -0.00 -1.12 0.18 115.11 117.24 1m4q h GLN 129 Ca 0.16 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.75 1m4q h GLN 129 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 1m4q h GLN 129 CO -0.03 0.44 0.04 0.28 0.00 0.00 0.00 178.83 179.56 1m4q h VAL 130 N 0.68 1.20 -0.55 2.39 2.07 -0.74 -0.02 116.25 121.28 1m4q h VAL 130 Ca 0.30 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1m4q h VAL 130 Cb 0.19 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1m4q h VAL 130 CO -0.18 0.19 0.37 -0.03 0.02 0.00 0.00 177.57 177.93 1m4q h MET 131 N 0.04 0.59 -0.34 1.57 1.85 -1.27 0.13 114.93 117.51 1m4q h MET 131 Ca 0.05 -0.04 -0.15 0.00 -0.61 0.00 0.00 59.70 58.95 1m4q h MET 131 Cb 0.25 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.15 1m4q h MET 131 CO 0.00 0.39 -0.38 0.82 -0.40 0.00 0.00 176.91 177.34 1m4q h ILE 132 N 0.61 1.28 0.15 1.77 2.04 -0.25 0.42 117.51 123.53 1m4q h ILE 132 Ca 0.23 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1m4q h ILE 132 Cb 0.14 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1m4q h ILE 132 CO -0.06 0.51 -0.07 0.58 0.00 0.00 0.00 178.15 179.11 1m4q h VAL 133 N 0.65 0.99 0.11 1.67 2.07 0.09 0.57 116.25 122.39 1m4q h VAL 133 Ca 0.05 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1m4q h VAL 133 Cb 0.98 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1m4q h VAL 133 CO 0.09 0.15 -0.07 0.58 0.02 0.00 0.00 177.57 178.35 1m4q h VAL 134 N -0.51 0.86 0.00 2.57 2.07 -0.82 -1.83 116.25 118.58 1m4q h VAL 134 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1m4q h VAL 134 Cb 0.40 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1m4q h VAL 134 CO 0.03 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.36 1m4q h PHE 135 N -0.17 0.00 -0.88 1.57 -1.00 -0.93 0.21 116.94 115.74 1m4q h PHE 135 Ca -0.01 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1m4q h PHE 135 Cb 0.14 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.66 1m4q h PHE 135 CO -0.08 0.00 0.54 0.78 -1.61 0.00 0.00 178.31 177.93 1m4q h GLY 136 N 1.21 1.27 0.00 -1.45 0.00 0.02 -3.31 103.07 100.81 1m4q h GLY 136 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 47.33 46.48 1m4q h GLY 136 CO 0.00 0.51 -2.22 1.22 0.00 0.00 0.00 176.54 176.05 1m4q n ASP 137 N -4.42 2.28 -4.56 0.19 9.92 -1.08 -4.32 116.55 114.56 1m4q n ASP 137 Ca 0.09 -0.08 -0.43 0.00 -0.53 0.00 0.00 54.79 53.84 1m4q n ASP 137 Cb 0.05 -0.37 -0.05 0.00 -0.64 0.00 0.00 41.12 40.12 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 -2.43 3.50 -0.31 -1.24 0.41 0.04 -5.00 118.70 113.67 1m4q s GLU 138 Ca -0.29 0.07 -0.28 0.00 -0.41 0.00 0.00 54.97 54.06 1m4q s GLU 138 Cb 0.08 -3.92 -0.02 0.00 -1.78 0.00 0.00 34.13 28.48 1m4q s GLU 138 CO 0.48 -1.16 1.88 -1.25 -0.49 0.00 0.00 175.26 174.72 1m4q s PRO 139 N 3.54 3.29 0.01 0.39 0.04 -1.26 -4.17 135.00 136.84 1m4q s PRO 139 Ca 0.34 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 1m4q s PRO 139 Cb -0.11 -4.23 -0.31 0.00 0.04 0.00 0.00 34.50 29.89 1m4q s PRO 139 CO 0.24 -1.91 0.91 -1.00 0.04 0.00 0.00 177.00 175.29 1m4q h PRO 140 N 13.31 0.36 -1.31 0.56 0.13 -1.88 -3.43 132.00 139.74 1m4q h PRO 140 Ca -0.35 -0.62 -0.20 0.00 -0.87 0.00 0.00 66.00 63.96 1m4q h PRO 140 Cb 1.18 0.23 -0.22 0.00 0.13 0.00 0.00 31.00 32.32 1m4q h PRO 140 CO 1.02 1.27 -0.56 0.54 -0.23 0.00 0.00 178.00 180.04 1m4q s VAL 141 N -2.61 -0.75 -0.04 1.56 0.11 -1.26 0.36 120.40 117.77 1m4q s VAL 141 Ca -0.09 -0.79 -0.23 0.00 -2.93 0.00 0.00 61.98 57.93 1m4q s VAL 141 Cb 0.06 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 1m4q s VAL 141 CO 0.89 -0.23 0.69 0.72 -3.33 0.00 0.00 175.10 173.84 1m4q s PHE 142 N 1.25 3.62 0.58 1.54 -0.71 0.14 -4.52 117.98 119.87 1m4q s PHE 142 Ca 0.23 1.27 -0.04 0.00 -1.04 0.00 0.00 56.93 57.35 1m4q s PHE 142 Cb -0.04 -2.77 0.02 0.00 -1.21 0.00 0.00 43.02 39.02 1m4q s PHE 142 CO -0.07 0.16 0.85 0.45 -1.34 0.00 0.00 175.22 175.27 1m4q s SER 143 N 0.52 5.44 -0.21 1.98 0.15 -1.26 -2.42 113.70 117.90 1m4q s SER 143 Ca 0.37 0.46 -0.27 0.00 0.70 0.00 0.00 55.95 57.20 1m4q s SER 143 Cb -0.18 -1.42 0.09 0.00 -1.71 0.00 0.00 66.02 62.80 1m4q s SER 143 CO 0.19 -1.10 0.84 -0.13 1.20 0.00 0.00 173.24 174.24 1m4q s ARG 144 N -4.91 0.75 0.00 5.44 0.52 -1.25 -4.88 118.95 114.63 1m4q s ARG 144 Ca 0.54 0.60 0.19 0.00 -0.52 0.00 0.00 55.73 56.54 1m4q s ARG 144 Cb -0.10 0.36 1.12 0.00 0.52 0.00 0.00 34.95 36.84 1m4q s ARG 144 CO 0.42 -0.15 1.51 -0.35 0.02 0.00 0.00 175.30 176.76