#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4x s GLY 5 N 0.00 1.53 -0.13 5.14 0.00 -1.26 -4.85 107.32 107.75 2q4x s GLY 5 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 44.72 43.91 2q4x s GLY 5 CO 0.00 0.26 0.76 -2.08 0.00 0.00 0.00 173.10 172.03 2q4x h VAL 6 N -2.57 1.72 -0.18 1.40 2.07 -1.98 -1.65 116.25 115.05 2q4x h VAL 6 Ca -0.53 -2.26 -0.10 0.00 0.82 0.00 0.00 66.70 64.63 2q4x h VAL 6 Cb 1.33 3.23 -0.00 0.00 -1.52 0.00 0.00 31.29 34.33 2q4x h VAL 6 CO 0.45 0.58 -0.29 0.40 0.02 0.00 0.00 177.57 178.73 2q4x h ILE 7 N -0.98 1.34 -0.62 4.57 2.04 -1.96 -2.08 117.51 119.82 2q4x h ILE 7 Ca -0.00 -1.51 0.10 0.00 1.00 0.00 0.00 64.86 64.45 2q4x h ILE 7 Cb 0.95 1.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.83 2q4x h ILE 7 CO 0.00 0.46 0.21 0.44 0.00 0.00 0.00 178.15 179.26 2q4x h ASP 8 N 0.17 0.19 -0.38 1.72 3.32 -1.96 0.49 116.42 119.96 2q4x h ASP 8 Ca 0.02 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2q4x h ASP 8 Cb 0.87 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2q4x h ASP 8 CO 0.07 0.11 0.24 0.74 -1.72 0.00 0.00 179.24 178.67 2q4x h THR 9 N 0.38 1.11 -0.53 0.35 2.02 -1.21 -2.09 112.91 112.94 2q4x h THR 9 Ca 0.32 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 2q4x h THR 9 Cb 0.42 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2q4x h THR 9 CO -0.34 0.11 0.06 -0.50 0.37 0.00 0.00 175.52 175.23 2q4x h TRP 10 N 0.51 0.91 0.00 3.16 6.55 -0.55 -1.95 115.95 124.57 2q4x h TRP 10 Ca 0.14 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2q4x h TRP 10 Cb -0.03 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.02 2q4x h TRP 10 CO -0.04 0.79 0.00 -0.89 -1.05 0.00 0.00 178.44 177.25 2q4x n ILE 11 N -4.23 0.26 -0.08 1.49 5.41 0.16 -1.42 119.36 120.94 2q4x n ILE 11 Ca 0.03 0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.73 2q4x n ILE 11 Cb 0.27 -0.67 -0.05 0.00 -0.71 0.00 0.00 39.64 38.48 2q4x n ILE 11 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2q4x n ASP 12 N -1.30 1.83 0.00 4.38 9.92 -0.82 -1.73 116.55 128.83 2q4x n ASP 12 Ca 0.11 0.55 0.04 0.00 -0.53 0.00 0.00 54.79 54.95 2q4x n ASP 12 Cb 0.19 -0.90 0.23 0.00 -0.64 0.00 0.00 41.12 40.00 2q4x n ASP 12 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2q4x n LYS 13 N -4.54 0.21 -0.18 -1.24 5.02 -0.77 -2.51 118.16 114.15 2q4x n LYS 13 Ca -0.18 0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.20 2q4x n LYS 13 Cb 0.44 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 2q4x n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2q4x n HIS 14 N -1.11 0.00 -0.34 2.13 8.25 -0.51 -4.96 115.22 118.68 2q4x n HIS 14 Ca 0.05 -0.11 0.08 0.00 -0.26 0.00 0.00 57.72 57.48 2q4x n HIS 14 Cb 0.04 -0.03 0.18 0.00 1.12 0.00 0.00 29.99 31.30 2q4x n HIS 14 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2q4x h ARG 15 N 0.00 0.00 -0.07 -0.41 9.65 -1.03 -2.59 114.38 119.94 2q4x h ARG 15 Ca 0.00 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2q4x h ARG 15 Cb 1.09 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.61 2q4x h ARG 15 CO 0.00 0.00 -0.40 0.77 2.80 0.00 0.00 179.97 183.15 2q4x h SER 16 N 0.01 -1.22 -0.27 -3.80 0.02 -1.88 3.25 113.55 109.66 2q4x h SER 16 Ca 0.50 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.68 2q4x h SER 16 Cb 0.86 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 2q4x h SER 16 CO -0.97 -0.43 0.19 0.40 -1.14 0.00 0.00 176.83 174.89 2q4x h ILE 17 N -0.51 0.89 -0.02 3.27 2.04 -1.93 0.35 117.51 121.60 2q4x h ILE 17 Ca 0.07 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 2q4x h ILE 17 Cb 0.62 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2q4x h ILE 17 CO -0.35 0.01 -0.37 0.22 0.00 0.00 0.00 178.15 177.66 2q4x h TYR 18 N 0.05 0.41 0.00 1.37 3.20 -0.35 -2.40 116.97 119.25 2q4x h TYR 18 Ca 0.13 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 2q4x h TYR 18 Cb 0.44 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2q4x h TYR 18 CO -0.00 1.00 -0.15 1.15 -1.64 0.00 0.00 178.16 178.52 2q4x h THR 19 N -0.30 0.68 0.00 1.81 2.02 0.71 -1.66 112.91 116.17 2q4x h THR 19 Ca -0.04 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 2q4x h THR 19 Cb 1.09 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2q4x h THR 19 CO 0.07 0.14 -0.33 0.00 0.37 0.00 0.00 175.52 175.77 2q4x h ALA 20 N 1.85 0.83 0.00 6.16 0.00 -0.16 -3.11 119.26 124.82 2q4x h ALA 20 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2q4x h ALA 20 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2q4x h ALA 20 CO 0.02 0.26 -0.82 0.00 0.00 0.00 0.00 179.25 178.71 2q4x n ALA 21 N -2.16 3.76 -0.27 0.00 0.00 -0.67 -3.04 120.51 118.13 2q4x n ALA 21 Ca 0.02 -0.43 0.04 0.00 0.00 0.00 0.00 53.44 53.08 2q4x n ALA 21 Cb 0.62 -0.98 0.10 0.00 0.00 0.00 0.00 19.45 19.19 2q4x n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2q4x n THR 22 N -1.69 1.21 -1.65 0.00 -2.24 -0.93 -4.65 114.28 104.33 2q4x n THR 22 Ca 0.04 -1.21 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 2q4x n THR 22 Cb 0.37 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2q4x n THR 22 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2q4x n ARG 23 N -0.18 0.00 -1.51 -0.78 5.12 -1.18 -4.07 116.66 114.07 2q4x n ARG 23 Ca 0.08 -0.15 -0.55 0.00 -1.93 0.00 0.00 57.85 55.31 2q4x n ARG 23 Cb 0.42 -0.18 -0.06 0.00 -1.16 0.00 0.00 32.46 31.48 2q4x n ARG 23 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2q4x n HIS 24 N 0.00 0.66 -0.51 -1.55 -0.00 -1.17 -4.43 115.22 108.22 2q4x n HIS 24 Ca 0.00 0.93 0.41 0.00 0.46 0.00 0.00 57.72 59.52 2q4x n HIS 24 Cb 0.46 -2.13 0.62 0.00 -0.12 0.00 0.00 29.99 28.82 2q4x n HIS 24 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2q4x n ALA 25 N 1.37 1.44 -0.32 1.57 0.00 -1.26 0.98 120.51 124.30 2q4x n ALA 25 Ca 0.19 0.50 -0.04 0.00 0.00 0.00 0.00 53.44 54.08 2q4x n ALA 25 Cb 0.15 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 18.82 2q4x n ALA 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2q4x h PHE 26 N 0.00 1.13 0.00 0.00 3.57 -1.93 0.59 116.94 120.30 2q4x h PHE 26 Ca 0.71 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.21 2q4x h PHE 26 Cb 3.07 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 41.44 2q4x h PHE 26 CO 0.00 0.75 -0.27 1.55 -2.23 0.00 0.00 178.31 178.11 2q4x n VAL 27 N -4.43 0.48 -0.04 1.41 3.14 0.28 -3.30 118.33 115.86 2q4x n VAL 27 Ca 0.09 -0.27 -0.12 0.00 -2.96 0.00 0.00 64.34 61.08 2q4x n VAL 27 Cb 0.05 -0.38 -0.11 0.00 -1.06 0.00 0.00 33.84 32.34 2q4x n VAL 27 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2q4x h VAL 28 N 0.00 1.44 0.00 1.55 2.07 -1.37 -2.37 116.25 117.57 2q4x h VAL 28 Ca 0.00 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.64 2q4x h VAL 28 Cb 0.73 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2q4x h VAL 28 CO 0.00 0.45 0.09 -1.54 0.02 0.00 0.00 177.57 176.59 2q4x n SER 29 N -4.70 0.32 -0.00 0.57 3.41 0.15 -1.22 113.62 112.15 2q4x n SER 29 Ca -0.08 0.60 -0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2q4x n SER 29 Cb 0.37 -0.62 -0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2q4x n SER 29 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2q4x h ILE 30 N 0.00 0.00 0.00 -1.33 2.04 -1.52 0.32 117.51 117.02 2q4x h ILE 30 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2q4x h ILE 30 Cb 0.18 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2q4x h ILE 30 CO 0.00 0.00 0.39 -1.14 0.00 0.00 0.00 178.15 177.40 2q4x n ARG 31 N -2.13 0.01 -0.78 2.37 0.63 -0.36 -0.89 116.66 115.51 2q4x n ARG 31 Ca -0.00 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2q4x n ARG 31 Cb 0.00 -1.92 -0.00 0.00 0.45 0.00 0.00 32.46 30.99 2q4x n ARG 31 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2q4x n ASP 32 N -1.25 0.16 -0.85 6.15 5.68 -0.77 0.14 116.55 125.80 2q4x n ASP 32 Ca -0.00 -1.83 -0.09 0.00 -0.50 0.00 0.00 54.79 52.37 2q4x n ASP 32 Cb 0.39 -0.15 -0.04 0.00 -1.14 0.00 0.00 41.12 40.18 2q4x n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q4x n GLY 33 N 0.12 0.89 0.14 6.12 0.00 0.99 -4.70 105.19 108.75 2q4x n GLY 33 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2q4x n GLY 33 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2q4x h SER 34 N 0.00 0.00 -3.42 1.61 4.64 -0.78 -3.45 113.55 112.15 2q4x h SER 34 Ca -0.19 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.60 2q4x h SER 34 Cb 0.93 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.09 2q4x h SER 34 CO 0.28 0.00 0.79 0.54 -0.87 0.00 0.00 176.83 177.57 2q4x s VAL 35 N -3.17 2.48 0.51 0.95 0.11 0.44 -5.01 120.40 116.72 2q4x s VAL 35 Ca 0.09 0.41 0.08 0.00 -2.93 0.00 0.00 61.98 59.63 2q4x s VAL 35 Cb 0.10 -3.26 0.04 0.00 -1.53 0.00 0.00 36.38 31.73 2q4x s VAL 35 CO 0.59 0.07 0.58 1.51 -3.33 0.00 0.00 175.10 174.52 2q4x s ASP 36 N 0.32 5.07 0.38 3.54 1.47 -1.26 -4.96 116.67 121.24 2q4x s ASP 36 Ca 0.59 -0.85 0.26 0.00 1.18 0.00 0.00 52.55 53.73 2q4x s ASP 36 Cb -0.43 -0.01 1.39 0.00 -0.34 0.00 0.00 42.92 43.53 2q4x s ASP 36 CO 0.46 -1.05 1.80 -0.07 0.68 0.00 0.00 175.17 176.99 2q4x h LEU 37 N 0.57 0.00 0.02 2.11 4.07 -1.99 -1.82 115.31 118.27 2q4x h LEU 37 Ca -0.36 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.56 2q4x h LEU 37 Cb 1.29 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.03 2q4x h LEU 37 CO 0.49 0.00 -0.22 -1.28 -1.08 0.00 0.00 178.44 176.35 2q4x h SER 38 N 0.00 0.06 -0.47 -0.43 0.87 -1.98 -2.43 113.55 109.17 2q4x h SER 38 Ca 0.00 -0.95 0.03 0.00 -1.23 0.00 0.00 61.79 59.64 2q4x h SER 38 Cb 0.04 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 2q4x h SER 38 CO 0.00 1.10 0.25 0.28 -0.53 0.00 0.00 176.83 177.92 2q4x h SER 39 N -0.92 0.37 0.73 6.23 0.02 -1.67 -2.72 113.55 115.59 2q4x h SER 39 Ca -0.05 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2q4x h SER 39 Cb 1.11 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2q4x h SER 39 CO -0.00 0.26 -0.41 0.15 -1.14 0.00 0.00 176.83 175.69 2q4x h PHE 40 N 0.49 -1.08 -0.80 3.45 3.57 -1.46 -2.77 116.94 118.33 2q4x h PHE 40 Ca 0.20 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.87 2q4x h PHE 40 Cb 0.09 0.37 -0.12 0.00 2.79 0.00 0.00 35.95 39.08 2q4x h PHE 40 CO -0.09 -0.63 0.24 0.00 -2.23 0.00 0.00 178.31 175.59 2q4x h ARG 41 N -1.06 0.28 -0.78 1.11 3.08 -1.35 -0.76 114.38 114.90 2q4x h ARG 41 Ca -0.10 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2q4x h ARG 41 Cb 0.84 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 2q4x h ARG 41 CO 0.12 0.19 0.37 1.15 -1.07 0.00 0.00 179.97 180.73 2q4x h THR 42 N 0.29 1.24 0.70 2.04 2.02 -1.49 -2.83 112.91 114.88 2q4x h THR 42 Ca 0.48 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2q4x h THR 42 Cb 0.86 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2q4x h THR 42 CO -0.55 0.29 -0.33 -0.25 0.37 0.00 0.00 175.52 175.05 2q4x h TRP 43 N 1.11 -0.87 -0.96 3.16 7.01 -0.96 -0.74 115.95 123.70 2q4x h TRP 43 Ca 0.27 -0.02 0.28 0.00 2.11 0.00 0.00 58.89 61.53 2q4x h TRP 43 Cb 0.11 0.29 -0.17 0.00 -2.10 0.00 0.00 29.16 27.29 2q4x h TRP 43 CO 0.01 -0.54 0.13 1.25 -2.79 0.00 0.00 178.44 176.50 2q4x h LEU 44 N -1.15 -0.29 0.18 0.65 5.85 -1.20 1.91 115.31 121.27 2q4x h LEU 44 Ca -0.10 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2q4x h LEU 44 Cb 0.72 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2q4x h LEU 44 CO 0.16 -0.33 -0.09 1.23 -0.34 0.00 0.00 178.44 179.07 2q4x h GLY 45 N 0.04 -0.25 1.51 3.75 0.00 -1.49 1.64 103.07 108.27 2q4x h GLY 45 Ca 0.62 0.09 0.02 0.00 0.00 0.00 0.00 47.33 48.07 2q4x h GLY 45 CO -0.85 -0.09 0.28 1.46 0.00 0.00 0.00 176.54 177.34 2q4x h GLN 46 N -0.34 0.47 -0.01 4.80 1.08 -0.54 0.36 115.11 120.93 2q4x h GLN 46 Ca -0.02 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 2q4x h GLN 46 Cb 0.19 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2q4x h GLN 46 CO 0.04 0.31 -0.20 0.22 -0.95 0.00 0.00 178.83 178.26 2q4x h ASP 47 N 0.49 0.19 0.49 1.46 3.58 0.29 -0.37 116.42 122.54 2q4x h ASP 47 Ca 0.17 -0.75 -0.02 0.00 0.42 0.00 0.00 57.03 56.85 2q4x h ASP 47 Cb 0.07 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2q4x h ASP 47 CO -0.04 0.91 -0.33 0.22 -2.88 0.00 0.00 179.24 177.12 2q4x h TYR 48 N -0.51 -0.88 -0.87 0.28 3.20 0.31 -0.64 116.97 117.87 2q4x h TYR 48 Ca -0.02 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.04 2q4x h TYR 48 Cb 0.93 0.32 -0.11 0.00 1.54 0.00 0.00 36.73 39.41 2q4x h TYR 48 CO 0.17 -0.50 0.38 -0.07 -1.64 0.00 0.00 178.16 176.51 2q4x h LEU 49 N -0.79 0.35 -2.38 2.82 3.38 -0.40 3.09 115.31 121.38 2q4x h LEU 49 Ca -0.05 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2q4x h LEU 49 Cb 0.66 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2q4x h LEU 49 CO 0.03 0.05 -0.03 0.15 0.09 0.00 0.00 178.44 178.74 2q4x h PHE 50 N 0.44 0.00 -0.35 1.13 3.04 -0.35 -2.05 116.94 118.80 2q4x h PHE 50 Ca 0.52 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.34 2q4x h PHE 50 Cb 0.91 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 2q4x h PHE 50 CO -0.14 0.03 -0.31 0.28 -2.02 0.00 0.00 178.31 176.15 2q4x h VAL 51 N 0.00 1.28 -0.06 1.41 2.07 0.72 -2.10 116.25 119.57 2q4x h VAL 51 Ca -0.00 -1.45 -0.17 0.00 0.82 0.00 0.00 66.70 65.90 2q4x h VAL 51 Cb 0.18 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2q4x h VAL 51 CO 0.00 0.48 -0.70 0.03 0.02 0.00 0.00 177.57 177.40 2q4x h ARG 52 N 0.64 0.29 -0.60 1.57 3.08 -1.21 -0.70 114.38 117.45 2q4x h ARG 52 Ca 0.07 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2q4x h ARG 52 Cb 0.84 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 2q4x h ARG 52 CO 0.07 0.88 0.30 0.00 -1.07 0.00 0.00 179.97 180.14 2q4x h ARG 53 N 0.20 0.85 0.00 0.04 2.47 -1.47 -2.64 114.38 113.83 2q4x h ARG 53 Ca -0.02 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.55 2q4x h ARG 53 Cb 1.26 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2q4x h ARG 53 CO 0.11 0.68 -0.15 0.35 0.56 0.00 0.00 179.97 181.53 2q4x h PHE 54 N 0.81 0.00 0.26 3.04 3.57 -1.03 -3.25 116.94 120.35 2q4x h PHE 54 Ca 0.21 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2q4x h PHE 54 Cb 0.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2q4x h PHE 54 CO -0.00 0.15 -0.13 0.28 -2.23 0.00 0.00 178.31 176.38 2q4x h VAL 55 N 0.00 0.76 -0.06 1.41 2.07 -0.74 -2.58 116.25 117.11 2q4x h VAL 55 Ca -0.00 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.85 2q4x h VAL 55 Cb 0.51 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2q4x h VAL 55 CO 0.02 0.14 -0.16 1.55 0.02 0.00 0.00 177.57 179.13 2q4x h PRO 56 N -0.74 -0.23 -0.09 1.57 0.13 -1.65 -2.82 132.00 128.16 2q4x h PRO 56 Ca -0.04 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2q4x h PRO 56 Cb 0.50 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2q4x h PRO 56 CO 0.06 -0.15 -0.05 0.34 -0.23 0.00 0.00 178.00 177.96 2q4x n PHE 57 N -5.30 -0.04 -0.19 1.56 7.35 -1.15 0.35 117.46 120.04 2q4x n PHE 57 Ca -0.04 0.12 0.06 0.00 -0.76 0.00 0.00 57.45 56.83 2q4x n PHE 57 Cb 0.22 -0.34 0.35 0.00 0.35 0.00 0.00 39.48 40.05 2q4x n PHE 57 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2q4x h VAL 58 N 0.00 1.03 -0.53 -2.13 2.07 -1.30 0.65 116.25 116.04 2q4x h VAL 58 Ca 0.01 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2q4x h VAL 58 Cb 0.04 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 2q4x h VAL 58 CO -0.09 0.14 0.25 0.00 0.02 0.00 0.00 177.57 177.90 2q4x h ALA 59 N 1.60 0.68 0.00 1.67 0.00 0.14 0.70 119.26 124.05 2q4x h ALA 59 Ca 0.31 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2q4x h ALA 59 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2q4x h ALA 59 CO -0.10 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 177.91 2q4x n SER 60 N -4.90 0.23 0.11 0.00 3.41 0.17 -0.28 113.62 112.36 2q4x n SER 60 Ca 0.05 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 2q4x n SER 60 Cb 0.16 -0.61 0.07 0.00 -0.26 0.00 0.00 64.21 63.57 2q4x n SER 60 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2q4x h VAL 61 N 0.00 0.00 0.05 -3.33 2.07 0.83 -3.23 116.25 112.64 2q4x h VAL 61 Ca 0.00 -0.88 -0.26 0.00 0.82 0.00 0.00 66.70 66.38 2q4x h VAL 61 Cb 0.22 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2q4x h VAL 61 CO 0.00 0.00 -1.42 0.25 0.02 0.00 0.00 177.57 176.42 2q4x h LEU 62 N 0.00 0.17 -1.09 2.57 5.85 0.24 -2.73 115.31 120.32 2q4x h LEU 62 Ca 0.00 -0.70 0.13 0.00 0.84 0.00 0.00 57.88 58.15 2q4x h LEU 62 Cb 0.94 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 2q4x h LEU 62 CO 0.00 1.59 0.61 0.40 -0.34 0.00 0.00 178.44 180.70 2q4x h ILE 63 N -0.61 0.90 0.00 4.05 2.04 -1.28 0.85 117.51 123.45 2q4x h ILE 63 Ca -0.35 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 2q4x h ILE 63 Cb 1.55 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2q4x h ILE 63 CO -0.08 0.17 -0.36 0.03 0.00 0.00 0.00 178.15 177.90 2q4x h ARG 64 N 0.91 0.00 -0.83 2.37 2.47 -1.68 -2.62 114.38 115.00 2q4x h ARG 64 Ca 0.48 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.19 2q4x h ARG 64 Cb 0.55 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.83 2q4x h ARG 64 CO -0.25 0.36 0.48 0.00 0.56 0.00 0.00 179.97 181.13 2q4x h ALA 65 N 1.64 1.29 -0.82 0.04 0.00 0.91 -1.55 119.26 120.76 2q4x h ALA 65 Ca -0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 54.91 54.37 2q4x h ALA 65 Cb 0.81 -0.33 -0.25 0.00 0.00 0.00 0.00 17.79 18.02 2q4x h ALA 65 CO 0.05 0.60 0.55 0.00 0.00 0.00 0.00 179.25 180.44 2q4x n LYS 67 N -0.83 0.00 -3.55 0.00 5.02 -1.07 -5.03 118.16 112.70 2q4x n LYS 67 Ca 0.49 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.49 2q4x n LYS 67 Cb 1.42 -0.26 -0.15 0.00 -0.02 0.00 0.00 35.03 36.02 2q4x n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2q4x s ASP 68 N -1.26 3.54 0.00 4.39 1.01 -0.61 -5.09 116.67 118.65 2q4x s ASP 68 Ca 0.00 -1.29 0.00 0.00 0.71 0.00 0.00 52.55 51.97 2q4x s ASP 68 Cb 0.00 -0.37 0.00 0.00 1.01 0.00 0.00 42.92 43.56 2q4x s ASP 68 CO 0.00 -0.44 0.00 -1.54 0.21 0.00 0.00 175.17 173.40 2q4x n SER 69 N 5.23 0.00 -1.18 0.27 3.41 -1.26 -4.87 113.62 115.22 2q4x n SER 69 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2q4x n SER 69 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2q4x n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q4x n GLY 70 N 0.00 1.05 2.56 5.00 0.00 -1.26 -4.13 105.19 108.41 2q4x n GLY 70 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2q4x n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q4x s GLU 71 N 0.66 0.61 0.56 1.61 8.01 -1.26 -5.02 118.70 123.87 2q4x s GLU 71 Ca 0.00 -1.23 0.29 0.00 0.01 0.00 0.00 54.97 54.03 2q4x s GLU 71 Cb 0.00 -1.10 1.47 0.00 -4.31 0.00 0.00 34.13 30.19 2q4x s GLU 71 CO 0.00 -1.22 1.93 1.03 0.01 0.00 0.00 175.26 177.00 2q4x h SER 72 N 6.89 0.00 0.27 -0.19 0.87 -1.96 -1.91 113.55 117.51 2q4x h SER 72 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2q4x h SER 72 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2q4x h SER 72 CO 0.24 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 175.00 2q4x n SER 73 N -3.99 0.00 -1.51 6.23 3.41 -1.26 -4.45 113.62 112.05 2q4x n SER 73 Ca 0.11 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2q4x n SER 73 Cb 0.71 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2q4x n SER 73 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2q4x n ASP 74 N -1.24 3.21 0.00 4.04 8.00 -0.72 -3.02 116.55 126.82 2q4x n ASP 74 Ca 0.09 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.79 2q4x n ASP 74 Cb 0.12 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2q4x n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2q4x n GLU 76 N 1.43 0.00 -0.13 -1.24 1.02 -1.26 -1.57 120.64 118.89 2q4x n GLU 76 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2q4x n GLU 76 Cb 0.34 0.00 0.50 0.00 -0.02 0.00 0.00 31.44 32.25 2q4x n GLU 76 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2q4x h VAL 77 N 0.00 0.85 0.01 2.62 2.07 -1.92 -2.91 116.25 116.97 2q4x h VAL 77 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2q4x h VAL 77 Cb 0.00 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2q4x h VAL 77 CO 0.00 0.08 -0.00 0.58 0.02 0.00 0.00 177.57 178.24 2q4x h VAL 78 N 0.43 1.45 -1.39 2.57 2.07 -1.60 -3.29 116.25 116.50 2q4x h VAL 78 Ca 0.32 -2.02 0.41 0.00 0.82 0.00 0.00 66.70 66.23 2q4x h VAL 78 Cb 0.68 2.71 -0.09 0.00 -1.52 0.00 0.00 31.29 33.07 2q4x h VAL 78 CO -0.10 0.48 0.96 0.25 0.02 0.00 0.00 177.57 179.18 2q4x h LEU 79 N -0.97 0.15 -0.06 2.57 5.85 -1.77 0.17 115.31 121.25 2q4x h LEU 79 Ca -0.00 0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 2q4x h LEU 79 Cb 0.80 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2q4x h LEU 79 CO 0.00 -0.04 -1.05 1.23 -0.34 0.00 0.00 178.44 178.24 2q4x h GLY 80 N 0.09 0.22 0.40 3.75 0.00 -1.62 -2.37 103.07 103.55 2q4x h GLY 80 Ca 0.73 -0.49 0.09 0.00 0.00 0.00 0.00 47.33 47.66 2q4x h GLY 80 CO -0.18 0.43 0.17 -1.33 0.00 0.00 0.00 176.54 175.63 2q4x h GLY 81 N 1.95 0.72 0.38 4.60 0.00 -0.73 0.43 103.07 110.42 2q4x h GLY 81 Ca -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2q4x h GLY 81 CO 0.16 -0.03 -0.39 -2.22 0.00 0.00 0.00 176.54 174.06 2q4x h ILE 82 N 0.33 0.21 -0.23 2.60 1.08 -1.42 -2.45 117.51 117.63 2q4x h ILE 82 Ca 0.27 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.79 2q4x h ILE 82 Cb 0.34 0.21 -0.07 0.00 -3.07 0.00 0.00 36.82 34.23 2q4x h ILE 82 CO -0.30 0.00 -0.46 0.00 -0.69 0.00 0.00 178.15 176.70 2q4x h ALA 83 N -0.15 -0.62 -0.11 1.87 0.00 0.19 0.21 119.26 120.65 2q4x h ALA 83 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2q4x h ALA 83 Cb 0.66 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2q4x h ALA 83 CO -0.19 -0.95 0.45 0.77 0.00 0.00 0.00 179.25 179.33 2q4x h SER 84 N -0.46 0.00 1.46 0.00 0.02 -0.23 0.31 113.55 114.65 2q4x h SER 84 Ca 0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 2q4x h SER 84 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2q4x h SER 84 CO -0.47 0.00 -0.37 -0.07 -1.14 0.00 0.00 176.83 174.78 2q4x h LEU 85 N 0.00 0.00 -0.16 5.07 3.38 -0.10 -3.09 115.31 120.41 2q4x h LEU 85 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2q4x h LEU 85 Cb 0.96 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.71 2q4x h LEU 85 CO -0.00 0.37 -0.54 -1.13 0.09 0.00 0.00 178.44 177.23 2q4x h ASN 86 N 0.00 0.76 0.20 -0.43 -1.24 -0.94 -0.93 115.58 113.01 2q4x h ASN 86 Ca -0.00 -0.60 -0.02 0.00 0.71 0.00 0.00 56.30 56.38 2q4x h ASN 86 Cb 1.20 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 40.03 2q4x h ASN 86 CO 0.05 1.23 -0.11 0.44 -1.29 0.00 0.00 177.43 177.75 2q4x h ASP 87 N 0.33 0.00 1.15 1.15 3.45 -1.61 -2.07 116.42 118.82 2q4x h ASP 87 Ca -0.02 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 2q4x h ASP 87 Cb 1.17 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.92 2q4x h ASP 87 CO 0.11 0.11 -0.89 -0.08 -1.57 0.00 0.00 179.24 176.93 2q4x h GLU 88 N 0.00 0.00 0.00 3.56 4.81 -1.45 -1.73 114.58 119.77 2q4x h GLU 88 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 2q4x h GLU 88 Cb 0.24 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.64 2q4x h GLU 88 CO 0.01 0.20 -0.76 0.82 -0.73 0.00 0.00 179.01 178.55 2q4x h ILE 89 N 0.00 1.38 -0.15 2.32 1.08 -0.48 -1.64 117.51 120.01 2q4x h ILE 89 Ca -0.06 -2.14 -0.00 0.00 -0.39 0.00 0.00 64.86 62.27 2q4x h ILE 89 Cb 1.27 2.53 -0.01 0.00 -3.07 0.00 0.00 36.82 37.55 2q4x h ILE 89 CO 0.03 0.64 0.08 -0.33 -0.69 0.00 0.00 178.15 177.88 2q4x h GLU 90 N 0.06 0.22 -0.36 2.37 5.08 -1.52 -0.46 114.58 119.97 2q4x h GLU 90 Ca -0.10 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2q4x h GLU 90 Cb 1.45 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.58 2q4x h GLU 90 CO 0.15 0.23 -0.21 2.35 -1.00 0.00 0.00 179.01 180.53 2q4x h TRP 91 N 0.14 -0.55 -0.75 4.33 7.01 -1.28 0.27 115.95 125.12 2q4x h TRP 91 Ca 0.05 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.16 2q4x h TRP 91 Cb 0.08 0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.39 2q4x h TRP 91 CO -0.04 -0.29 0.49 0.74 -2.79 0.00 0.00 178.44 176.55 2q4x h PHE 92 N -0.16 0.82 -0.42 2.65 0.04 -0.26 0.23 116.94 119.84 2q4x h PHE 92 Ca 0.18 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.91 2q4x h PHE 92 Cb 0.44 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 2q4x h PHE 92 CO -0.43 0.44 0.00 0.87 -0.60 0.00 0.00 178.31 178.59 2q4x h LYS 93 N 0.81 0.68 0.17 1.51 1.57 0.15 0.20 116.57 121.67 2q4x h LYS 93 Ca 0.32 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2q4x h LYS 93 Cb 0.22 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2q4x h LYS 93 CO -0.11 0.69 -0.08 0.00 -0.57 0.00 0.00 179.45 179.39 2q4x h ARG 94 N 0.64 -0.22 -0.54 3.15 3.08 0.14 -2.07 114.38 118.56 2q4x h ARG 94 Ca 0.13 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 2q4x h ARG 94 Cb 0.40 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2q4x h ARG 94 CO 0.01 0.02 -0.04 0.93 -1.07 0.00 0.00 179.97 179.82 2q4x h GLU 95 N -0.45 0.96 0.49 0.04 4.39 -0.94 -0.11 114.58 118.97 2q4x h GLU 95 Ca -0.02 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 2q4x h GLU 95 Cb 0.35 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2q4x h GLU 95 CO 0.04 0.98 -0.25 0.78 -1.16 0.00 0.00 179.01 179.39 2q4x h GLY 96 N 0.98 -0.72 0.85 -3.84 0.00 -0.61 0.39 103.07 100.12 2q4x h GLY 96 Ca 0.15 0.28 0.10 0.00 0.00 0.00 0.00 47.33 47.86 2q4x h GLY 96 CO 0.03 -0.26 0.50 1.48 0.00 0.00 0.00 176.54 178.29 2q4x h SER 97 N -0.69 0.58 0.00 0.19 4.64 -1.21 -1.64 113.55 115.43 2q4x h SER 97 Ca -0.06 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2q4x h SER 97 Cb 0.54 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2q4x h SER 97 CO 0.10 0.34 0.00 1.17 -0.87 0.00 0.00 176.83 177.57 2q4x n LYS 98 N -4.50 0.00 0.00 4.77 4.81 -0.07 -4.16 118.16 119.01 2q4x n LYS 98 Ca 0.13 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2q4x n LYS 98 Cb 0.35 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.50 2q4x n LYS 98 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 2q4x n TRP 99 N -0.82 0.00 -3.26 5.64 5.03 0.13 -4.81 117.44 119.35 2q4x n TRP 99 Ca 0.00 -0.10 -0.17 0.00 3.03 0.00 0.00 57.50 60.26 2q4x n TRP 99 Cb 0.00 -0.10 0.06 0.00 -1.03 0.00 0.00 31.31 30.24 2q4x n TRP 99 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 2q4x n ASP 100 N 0.47 -4.78 -3.83 -0.99 9.92 -0.88 -4.99 116.55 111.47 2q4x n ASP 100 Ca 0.00 -0.39 -0.28 0.00 -0.53 0.00 0.00 54.79 53.59 2q4x n ASP 100 Cb 0.17 -3.77 -0.16 0.00 -0.64 0.00 0.00 41.12 36.72 2q4x n ASP 100 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2q4x s VAL 101 N -3.23 0.91 -0.35 2.53 1.01 -0.67 -5.07 120.40 115.53 2q4x s VAL 101 Ca 0.37 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 2q4x s VAL 101 Cb -0.16 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2q4x s VAL 101 CO 0.52 -0.04 0.33 -0.62 0.00 0.00 0.00 175.10 175.29 2q4x s ASP 102 N 1.70 6.15 0.58 3.32 -1.08 -1.26 -3.80 116.67 122.27 2q4x s ASP 102 Ca -0.01 -0.33 0.35 0.00 -0.52 0.00 0.00 52.55 52.04 2q4x s ASP 102 Cb -0.16 -2.18 1.73 0.00 -1.46 0.00 0.00 42.92 40.85 2q4x s ASP 102 CO -0.07 -0.33 2.14 -0.26 0.52 0.00 0.00 175.17 177.16 2q4x h PHE 103 N 8.49 0.00 0.00 -5.34 0.04 -1.97 -2.97 116.94 115.20 2q4x h PHE 103 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 2q4x h PHE 103 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2q4x h PHE 103 CO 0.67 0.04 0.00 -1.13 -0.60 0.00 0.00 178.31 177.30 2q4x n SER 104 N -3.27 0.00 -2.00 2.17 3.41 -1.26 -2.41 113.62 110.26 2q4x n SER 104 Ca -0.01 -0.45 -0.02 0.00 -0.26 0.00 0.00 58.87 58.13 2q4x n SER 104 Cb 0.21 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.19 2q4x n SER 104 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2q4x n THR 105 N -0.72 0.29 -3.24 6.66 -2.24 -1.12 -5.02 114.28 108.88 2q4x n THR 105 Ca 0.03 -1.16 -0.46 0.00 -2.27 0.00 0.00 64.05 60.19 2q4x n THR 105 Cb 0.01 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 2q4x n THR 105 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2q4x s VAL 106 N -0.83 5.57 -0.36 2.28 1.01 -1.01 -5.00 120.40 122.07 2q4x s VAL 106 Ca 0.16 -2.69 -0.37 0.00 0.00 0.00 0.00 61.98 59.08 2q4x s VAL 106 Cb 0.29 -4.60 -0.13 0.00 0.00 0.00 0.00 36.38 31.94 2q4x s VAL 106 CO -0.08 -1.20 2.15 0.52 0.00 0.00 0.00 175.10 176.49 2q4x n VAL 107 N 3.81 0.17 -1.64 2.92 0.31 -1.26 -4.82 118.33 117.82 2q4x n VAL 107 Ca 0.21 -0.21 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 2q4x n VAL 107 Cb 0.44 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.89 2q4x n VAL 107 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2q4x n PRO 108 N 7.93 1.76 -2.40 5.55 -0.04 -1.26 -4.93 135.00 141.61 2q4x n PRO 108 Ca 0.42 0.62 -0.25 0.00 -0.04 0.00 0.00 63.50 64.25 2q4x n PRO 108 Cb 0.19 -2.16 0.05 0.00 -0.04 0.00 0.00 33.50 31.53 2q4x n PRO 108 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2q4x s GLN 109 N -1.08 2.51 0.38 0.54 -0.21 -1.26 -4.93 119.66 115.61 2q4x s GLN 109 Ca 0.63 -0.32 0.19 0.00 0.02 0.00 0.00 55.36 55.88 2q4x s GLN 109 Cb -0.67 -2.29 1.15 0.00 1.00 0.00 0.00 33.01 32.20 2q4x s GLN 109 CO 0.56 -0.92 1.69 -0.09 -2.12 0.00 0.00 175.29 174.41 2q4x h ARG 110 N -0.28 0.30 -0.25 2.91 9.65 -2.01 -1.08 114.38 123.63 2q4x h ARG 110 Ca -0.44 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2q4x h ARG 110 Cb 1.29 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.79 2q4x h ARG 110 CO 0.58 0.20 0.15 0.00 2.80 0.00 0.00 179.97 183.71 2q4x h ALA 111 N 1.72 1.80 0.00 2.80 0.00 -1.92 -1.90 119.26 121.76 2q4x h ALA 111 Ca 0.71 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.53 2q4x h ALA 111 Cb 1.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2q4x h ALA 111 CO -0.46 0.18 -0.28 -0.97 0.00 0.00 0.00 179.25 177.72 2q4x h ASN 112 N 0.34 0.00 0.51 0.00 -0.73 -1.56 -2.86 115.58 111.28 2q4x h ASN 112 Ca 0.09 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.97 2q4x h ASN 112 Cb -0.02 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 2q4x h ASN 112 CO -0.02 0.28 -1.57 1.56 -0.37 0.00 0.00 177.43 177.31 2q4x h GLN 113 N 0.00 0.12 -0.11 6.67 1.08 -1.32 0.38 115.11 121.92 2q4x h GLN 113 Ca -0.00 -0.20 -0.12 0.00 -1.45 0.00 0.00 58.65 56.87 2q4x h GLN 113 Cb 1.11 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 2q4x h GLN 113 CO 0.04 0.87 -0.48 0.93 -0.95 0.00 0.00 178.83 179.24 2q4x h GLU 114 N 0.03 0.28 0.00 1.46 4.39 -1.59 -1.61 114.58 117.54 2q4x h GLU 114 Ca -0.24 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.20 2q4x h GLU 114 Cb 1.98 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.62 2q4x h GLU 114 CO 0.12 0.70 -0.55 -0.92 -1.16 0.00 0.00 179.01 177.20 2q4x h TYR 115 N 0.23 0.00 -0.30 4.33 5.03 -1.56 -2.59 116.97 122.11 2q4x h TYR 115 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2q4x h TYR 115 Cb 0.93 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.21 2q4x h TYR 115 CO 0.02 0.45 0.00 0.41 -1.32 0.00 0.00 178.16 177.72 2q4x n GLY 116 N 1.23 0.52 0.07 1.82 0.00 0.13 -3.20 105.19 105.77 2q4x n GLY 116 Ca 0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 2q4x n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4x n ARG 117 N 0.45 0.28 -0.04 1.61 1.74 -0.63 -4.42 116.66 115.66 2q4x n ARG 117 Ca 0.13 0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 57.15 2q4x n ARG 117 Cb 0.30 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 30.44 2q4x n ARG 117 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2q4x h PHE 118 N -0.01 0.22 -0.91 -1.55 3.57 -1.52 -0.57 116.94 116.18 2q4x h PHE 118 Ca -0.25 -0.06 0.21 0.00 3.53 0.00 0.00 57.97 61.39 2q4x h PHE 118 Cb 1.39 -0.05 -0.12 0.00 2.79 0.00 0.00 35.95 39.96 2q4x h PHE 118 CO 0.01 0.60 0.44 -0.07 -2.23 0.00 0.00 178.31 177.07 2q4x h LEU 119 N -0.22 0.44 -0.16 0.59 3.38 -1.82 -0.33 115.31 117.19 2q4x h LEU 119 Ca 0.01 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2q4x h LEU 119 Cb 0.56 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2q4x h LEU 119 CO 0.02 0.07 -0.14 -0.33 0.09 0.00 0.00 178.44 178.14 2q4x h GLU 120 N 0.48 0.37 0.00 1.13 5.08 -1.71 -2.17 114.58 117.77 2q4x h GLU 120 Ca 0.55 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2q4x h GLU 120 Cb 1.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2q4x h GLU 120 CO -0.48 0.74 0.36 -0.44 -1.00 0.00 0.00 179.01 178.19 2q4x h ASP 121 N 0.01 0.00 -1.72 1.42 3.32 0.55 -3.17 116.42 116.84 2q4x h ASP 121 Ca 0.03 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.33 2q4x h ASP 121 Cb 0.67 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.94 2q4x h ASP 121 CO 0.04 0.00 1.01 0.18 -1.72 0.00 0.00 179.24 178.75 2q4x n LEU 122 N -2.74 7.58 -0.65 1.55 4.77 -0.68 -4.90 117.00 121.94 2q4x n LEU 122 Ca -0.02 -4.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.27 2q4x n LEU 122 Cb 0.40 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 2q4x n LEU 122 CO 0.11 1.68 -0.19 -0.24 -1.33 0.00 0.00 177.39 177.43 2q4x n SER 124 N -0.65 -4.07 0.25 -1.43 2.88 -1.20 -4.74 113.62 104.67 2q4x n SER 124 Ca 0.56 0.52 0.17 0.00 -1.33 0.00 0.00 58.87 58.79 2q4x n SER 124 Cb 0.35 -1.36 0.89 0.00 -0.75 0.00 0.00 64.21 63.34 2q4x n SER 124 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2q4x h SER 125 N 0.65 0.00 0.17 -3.46 0.02 -1.96 -2.51 113.55 106.45 2q4x h SER 125 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2q4x h SER 125 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2q4x h SER 125 CO 0.00 0.00 -0.15 -1.84 -1.14 0.00 0.00 176.83 173.70 2q4x n GLU 126 N -2.70 1.09 -2.64 3.45 0.28 -1.26 -4.88 120.64 113.98 2q4x n GLU 126 Ca -0.02 -0.60 -0.41 0.00 -0.16 0.00 0.00 57.16 55.96 2q4x n GLU 126 Cb 0.08 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.42 2q4x n GLU 126 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2q4x s VAL 127 N -2.33 4.42 0.48 3.84 1.01 -0.95 -5.01 120.40 121.87 2q4x s VAL 127 Ca 0.30 1.90 -0.20 0.00 0.00 0.00 0.00 61.98 63.98 2q4x s VAL 127 Cb 0.20 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 2q4x s VAL 127 CO 0.45 0.24 1.03 -0.54 0.00 0.00 0.00 175.10 176.28 2q4x s LYS 128 N 0.35 3.84 0.28 2.72 -0.14 -1.26 -4.88 119.74 120.66 2q4x s LYS 128 Ca 0.50 1.34 -0.01 0.00 -1.36 0.00 0.00 55.97 56.44 2q4x s LYS 128 Cb -0.25 -2.10 0.64 0.00 -1.68 0.00 0.00 37.83 34.44 2q4x s LYS 128 CO 0.30 -0.39 1.61 -0.92 -0.76 0.00 0.00 175.35 175.19 2q4x h TYR 129 N 1.60 0.05 0.27 3.18 3.20 -1.94 -2.48 116.97 120.84 2q4x h TYR 129 Ca -0.49 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 2q4x h TYR 129 Cb 1.22 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.60 2q4x h TYR 129 CO 0.57 -0.31 -0.16 -1.35 -1.64 0.00 0.00 178.16 175.27 2q4x h PRO 130 N 0.09 -0.39 -0.20 1.82 0.11 -1.92 -3.18 132.00 128.33 2q4x h PRO 130 Ca 0.53 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.69 2q4x h PRO 130 Cb 1.03 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2q4x h PRO 130 CO -0.77 -0.26 -0.42 0.28 -0.21 0.00 0.00 178.00 176.62 2q4x h VAL 131 N -0.41 0.00 0.00 3.15 2.07 -1.76 1.85 116.25 121.16 2q4x h VAL 131 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2q4x h VAL 131 Cb 0.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2q4x h VAL 131 CO 0.03 0.00 0.00 2.30 0.02 0.00 0.00 177.57 179.92 2q4x n ILE 132 N -4.74 0.18 0.00 4.57 -5.35 -1.08 -0.42 119.36 112.52 2q4x n ILE 132 Ca -0.04 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2q4x n ILE 132 Cb 0.27 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 2q4x n ILE 132 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2q4x n THR 134 N 1.37 0.00 -0.03 7.28 -1.04 0.63 -1.94 114.28 120.55 2q4x n THR 134 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 2q4x n THR 134 Cb 0.06 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.47 2q4x n THR 134 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2q4x h ALA 135 N 0.00 0.05 -0.67 2.41 0.00 -0.97 -2.75 119.26 117.33 2q4x h ALA 135 Ca 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.59 2q4x h ALA 135 Cb 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2q4x h ALA 135 CO 0.00 -0.01 0.36 0.35 0.00 0.00 0.00 179.25 179.94 2q4x h PHE 136 N -0.47 0.65 0.08 0.00 3.57 -1.67 1.35 116.94 120.44 2q4x h PHE 136 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2q4x h PHE 136 Cb 0.82 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2q4x h PHE 136 CO 0.15 0.28 -0.04 2.35 -2.23 0.00 0.00 178.31 178.83 2q4x h TRP 137 N 0.64 -0.11 -0.63 0.41 7.01 -1.82 -2.15 115.95 119.31 2q4x h TRP 137 Ca 0.31 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.35 2q4x h TRP 137 Cb 0.24 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.29 2q4x h TRP 137 CO -0.09 0.16 0.36 0.00 -2.79 0.00 0.00 178.44 176.08 2q4x h ALA 138 N 0.52 0.82 0.00 2.65 0.00 -0.94 1.93 119.26 124.24 2q4x h ALA 138 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2q4x h ALA 138 Cb 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2q4x h ALA 138 CO 0.02 0.06 -0.05 0.82 0.00 0.00 0.00 179.25 180.10 2q4x h ILE 139 N 0.68 0.60 0.08 0.00 2.04 0.18 -2.39 117.51 118.71 2q4x h ILE 139 Ca 0.27 -0.21 -0.36 0.00 1.00 0.00 0.00 64.86 65.55 2q4x h ILE 139 Cb 0.11 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2q4x h ILE 139 CO -0.15 0.05 -2.05 -0.62 0.00 0.00 0.00 178.15 175.38 2q4x n GLU 140 N -3.84 0.71 0.24 2.37 -0.58 0.50 -4.44 120.64 115.60 2q4x n GLU 140 Ca -0.03 0.27 -0.16 0.00 -0.42 0.00 0.00 57.16 56.83 2q4x n GLU 140 Cb 0.14 -1.67 -0.08 0.00 -0.57 0.00 0.00 31.44 29.27 2q4x n GLU 140 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2q4x h ALA 141 N -0.03 -0.72 -1.04 0.62 0.00 0.31 -1.81 119.26 116.58 2q4x h ALA 141 Ca -0.46 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 54.63 2q4x h ALA 141 Cb 1.93 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 20.03 2q4x h ALA 141 CO 0.01 -0.93 0.63 0.28 0.00 0.00 0.00 179.25 179.23 2q4x h VAL 142 N -0.71 0.39 -0.26 0.00 2.07 -1.66 0.25 116.25 116.33 2q4x h VAL 142 Ca -0.03 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 2q4x h VAL 142 Cb 0.62 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2q4x h VAL 142 CO -0.02 0.07 -0.56 1.88 0.02 0.00 0.00 177.57 178.96 2q4x h TYR 143 N 0.39 1.06 -0.57 1.57 -1.99 -1.64 -0.06 116.97 115.73 2q4x h TYR 143 Ca 0.69 -0.39 0.01 0.00 2.00 0.00 0.00 58.73 61.04 2q4x h TYR 143 Cb 1.61 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 40.12 2q4x h TYR 143 CO -0.01 1.22 0.37 0.37 -0.00 0.00 0.00 178.16 180.12 2q4x h GLN 144 N 0.61 0.74 0.00 4.88 -0.00 0.18 -0.13 115.11 121.38 2q4x h GLN 144 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2q4x h GLN 144 Cb 1.17 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 28.48 2q4x h GLN 144 CO 0.12 0.49 0.00 0.93 0.00 0.00 0.00 178.83 180.37 2q4x h GLU 145 N 0.76 0.00 0.00 1.69 4.39 -0.76 -2.95 114.58 117.71 2q4x h GLU 145 Ca 0.21 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 2q4x h GLU 145 Cb -0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2q4x h GLU 145 CO -0.05 0.00 -0.01 0.77 -1.16 0.00 0.00 179.01 178.56 2q4x h SER 146 N 0.00 0.00 0.00 1.42 0.02 0.22 -3.29 113.55 111.91 2q4x h SER 146 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2q4x h SER 146 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2q4x h SER 146 CO 0.00 0.52 0.00 0.49 -1.14 0.00 0.00 176.83 176.70 2q4x n PHE 147 N -4.77 0.00 -1.66 3.45 3.72 -0.18 -4.67 117.46 113.35 2q4x n PHE 147 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2q4x n PHE 147 Cb 0.02 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 2q4x n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4x n ALA 148 N -0.95 1.51 -1.47 4.37 0.00 -1.11 -4.11 120.51 118.74 2q4x n ALA 148 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2q4x n ALA 148 Cb 0.05 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 16.83 2q4x n ALA 148 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2q4x n HIS 149 N 7.50 -3.35 0.00 0.00 8.25 -1.26 -5.04 115.22 121.31 2q4x n HIS 149 Ca 0.20 1.94 0.00 0.00 -0.26 0.00 0.00 57.72 59.61 2q4x n HIS 149 Cb 0.40 -3.11 0.00 0.00 1.12 0.00 0.00 29.99 28.40 2q4x n HIS 149 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2q4x n LYS 156 N -1.34 0.00 -3.00 0.00 5.02 0.37 -4.97 118.16 114.24 2q4x n LYS 156 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2q4x n LYS 156 Cb 0.00 -0.84 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 2q4x n LYS 156 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2q4x s THR 157 N 0.93 4.46 -0.05 -0.18 2.01 -1.21 0.33 115.64 121.92 2q4x s THR 157 Ca 0.00 1.45 -0.11 0.00 0.31 0.00 0.00 61.69 63.34 2q4x s THR 157 Cb 0.00 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2q4x s THR 157 CO 0.00 0.18 0.28 -2.16 -0.69 0.00 0.00 174.62 172.23 2q4x s PRO 158 N -2.02 3.68 0.00 4.92 0.04 -1.26 -4.83 135.00 135.53 2q4x s PRO 158 Ca 0.45 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2q4x s PRO 158 Cb -0.17 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2q4x s PRO 158 CO 0.22 0.73 0.41 1.33 0.04 0.00 0.00 177.00 179.72 2q4x n VAL 159 N 1.83 0.01 0.02 -0.36 0.24 -1.26 0.30 118.33 119.11 2q4x n VAL 159 Ca -0.16 0.40 -0.07 0.00 -2.04 0.00 0.00 64.34 62.47 2q4x n VAL 159 Cb 0.54 -1.40 -0.12 0.00 -1.47 0.00 0.00 33.84 31.38 2q4x n VAL 159 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2q4x h GLU 160 N 0.00 0.00 0.00 7.34 3.07 -2.04 -3.39 114.58 119.56 2q4x h GLU 160 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2q4x h GLU 160 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 2q4x h GLU 160 CO 0.00 0.68 -0.95 1.28 -1.40 0.00 0.00 179.01 178.63 2q4x n LEU 161 N -3.16 0.34 0.20 1.33 4.77 0.88 -4.56 117.00 116.80 2q4x n LEU 161 Ca -0.09 -0.30 0.18 0.00 -0.03 0.00 0.00 56.01 55.77 2q4x n LEU 161 Cb 0.99 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 42.87 2q4x n LEU 161 CO 0.46 0.08 1.16 0.71 -1.33 0.00 0.00 177.39 178.47 2q4x h THR 162 N 0.00 0.24 -0.25 -5.08 1.35 -1.66 0.12 112.91 107.63 2q4x h THR 162 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.73 2q4x h THR 162 Cb 0.39 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 2q4x h THR 162 CO 0.00 0.00 -0.38 1.23 -0.25 0.00 0.00 175.52 176.12 2q4x h GLY 163 N 0.00 0.62 0.84 5.82 0.00 -1.84 -2.83 103.07 105.68 2q4x h GLY 163 Ca 0.11 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 2q4x h GLY 163 CO -0.00 0.55 -0.19 0.00 0.00 0.00 0.00 176.54 176.90 2q4x h ALA 164 N 1.11 0.31 -0.73 3.60 0.00 -1.07 -2.92 119.26 119.56 2q4x h ALA 164 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2q4x h ALA 164 Cb 0.88 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2q4x h ALA 164 CO 0.08 0.24 0.48 0.00 0.00 0.00 0.00 179.25 180.04 2q4x h HIS 166 N 0.93 -0.16 -0.96 0.00 3.86 -1.46 -0.13 115.15 117.24 2q4x h HIS 166 Ca 0.28 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.61 2q4x h HIS 166 Cb -0.02 0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.42 2q4x h HIS 166 CO -0.00 -0.10 0.61 0.00 0.86 0.00 0.00 177.93 179.30 2q4x h ARG 167 N -0.21 0.86 0.00 2.45 2.47 -1.57 -2.44 114.38 115.94 2q4x h ARG 167 Ca -0.02 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 2q4x h ARG 167 Cb 0.13 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2q4x h ARG 167 CO 0.03 0.57 -1.89 0.91 0.56 0.00 0.00 179.97 180.15 2q4x n TRP 168 N -4.59 0.11 0.50 3.04 8.01 -0.87 -4.41 117.44 119.23 2q4x n TRP 168 Ca 0.18 0.03 0.10 0.00 -1.31 0.00 0.00 57.50 56.51 2q4x n TRP 168 Cb 0.38 -0.56 0.27 0.00 -2.01 0.00 0.00 31.31 29.39 2q4x n TRP 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2q4x n GLY 169 N 1.26 1.33 3.87 6.99 0.00 -0.06 -4.25 105.19 114.33 2q4x n GLY 169 Ca -0.04 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 2q4x n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4x s ASN 170 N -1.32 6.62 0.49 1.61 2.20 -0.93 -4.45 114.94 119.17 2q4x s ASN 170 Ca 0.37 1.06 0.26 0.00 -0.94 0.00 0.00 52.86 53.61 2q4x s ASN 170 Cb 0.20 -2.29 1.34 0.00 -2.00 0.00 0.00 41.25 38.51 2q4x s ASN 170 CO 0.28 -0.21 1.88 -0.78 -2.94 0.00 0.00 177.10 175.32 2q4x h ASP 171 N 2.01 0.15 -0.61 3.54 3.58 -1.93 -0.19 116.42 122.97 2q4x h ASP 171 Ca -0.47 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 56.96 2q4x h ASP 171 Cb 1.18 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 2q4x h ASP 171 CO 0.66 0.05 0.26 1.23 -2.88 0.00 0.00 179.24 178.56 2q4x h GLY 172 N 0.14 0.96 1.80 -0.78 0.00 -1.97 0.41 103.07 103.65 2q4x h GLY 172 Ca 0.44 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 2q4x h GLY 172 CO -0.07 0.48 -0.49 -2.75 0.00 0.00 0.00 176.54 173.71 2q4x h PHE 173 N 0.84 0.26 -0.45 5.60 3.57 -1.36 0.18 116.94 125.57 2q4x h PHE 173 Ca 0.20 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 2q4x h PHE 173 Cb 0.17 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2q4x h PHE 173 CO 0.01 0.66 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.47 2q4x h LYS 174 N 0.17 0.78 -0.36 1.11 3.64 -0.65 0.14 116.57 121.40 2q4x h LYS 174 Ca 0.01 -0.24 -0.16 0.00 -1.27 0.00 0.00 60.65 58.99 2q4x h LYS 174 Cb 0.92 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2q4x h LYS 174 CO 0.07 0.83 -0.39 1.96 -2.27 0.00 0.00 179.45 179.65 2q4x h GLN 175 N 0.72 0.89 -0.28 1.90 4.20 0.11 -2.65 115.11 120.00 2q4x h GLN 175 Ca 0.13 -0.47 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 2q4x h GLN 175 Cb 0.53 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2q4x h GLN 175 CO 0.03 1.12 0.04 -0.92 -0.67 0.00 0.00 178.83 178.42 2q4x h TYR 176 N 0.72 0.51 -0.97 2.96 3.20 -0.44 -0.73 116.97 122.23 2q4x h TYR 176 Ca 0.06 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.91 2q4x h TYR 176 Cb 0.98 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 2q4x h TYR 176 CO 0.06 0.58 0.62 0.00 -1.64 0.00 0.00 178.16 177.79 2q4x h SER 178 N 1.15 1.03 0.32 0.00 4.64 -1.26 0.89 113.55 120.32 2q4x h SER 178 Ca 0.41 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 2q4x h SER 178 Cb 0.12 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2q4x h SER 178 CO -0.16 0.96 -0.16 -1.28 -0.87 0.00 0.00 176.83 175.32 2q4x h SER 179 N 1.06 -0.37 -0.40 4.97 0.87 0.66 0.11 113.55 120.46 2q4x h SER 179 Ca 0.23 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2q4x h SER 179 Cb 0.30 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2q4x h SER 179 CO -0.01 0.05 0.26 0.58 -0.53 0.00 0.00 176.83 177.19 2q4x h VAL 180 N -0.87 1.05 0.00 2.23 2.07 0.95 -2.82 116.25 118.85 2q4x h VAL 180 Ca -0.04 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2q4x h VAL 180 Cb 0.52 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2q4x h VAL 180 CO 0.07 0.08 0.00 1.17 0.02 0.00 0.00 177.57 178.92 2q4x n LYS 181 N -4.48 0.00 0.00 1.57 4.81 0.31 -3.49 118.16 116.88 2q4x n LYS 181 Ca 0.04 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2q4x n LYS 181 Cb 0.12 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 33.93 2q4x n LYS 181 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2q4x n ASN 182 N -1.26 0.00 0.00 3.14 5.15 0.38 -1.91 115.26 120.76 2q4x n ASN 182 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2q4x n ASN 182 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2q4x n ASN 182 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2q4x n ILE 183 N -1.66 0.00 -0.22 -1.44 5.41 -1.23 -2.12 119.36 118.10 2q4x n ILE 183 Ca 0.00 0.59 -0.01 0.00 1.00 0.00 0.00 62.75 64.32 2q4x n ILE 183 Cb 0.00 -1.19 0.01 0.00 -0.71 0.00 0.00 39.64 37.75 2q4x n ILE 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2q4x n ALA 184 N -0.66 -0.10 -0.23 -1.39 0.00 -0.80 0.30 120.51 117.63 2q4x n ALA 184 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 53.44 54.01 2q4x n ALA 184 Cb 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 19.45 19.35 2q4x n ALA 184 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2q4x h GLU 185 N 0.00 0.45 0.12 0.00 4.57 -1.70 2.73 114.58 120.75 2q4x h GLU 185 Ca 0.18 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2q4x h GLU 185 Cb 0.32 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2q4x h GLU 185 CO -0.56 0.30 -0.06 -0.09 -1.18 0.00 0.00 179.01 177.43 2q4x h ARG 186 N 0.47 -0.15 -0.96 1.92 2.43 0.52 0.15 114.38 118.76 2q4x h ARG 186 Ca 0.35 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.69 2q4x h ARG 186 Cb 0.44 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.93 2q4x h ARG 186 CO -0.32 0.11 0.56 0.00 -1.51 0.00 0.00 179.97 178.80 2q4x h LEU 188 N 0.76 0.44 -0.54 0.00 3.38 0.51 -2.85 115.31 117.02 2q4x h LEU 188 Ca 0.53 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2q4x h LEU 188 Cb 0.76 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2q4x h LEU 188 CO -0.36 1.16 0.00 -0.62 0.09 0.00 0.00 178.44 178.71 2q4x n GLU 189 N -3.71 0.11 -0.18 1.13 1.02 0.50 -0.55 120.64 118.95 2q4x n GLU 189 Ca -0.06 0.42 0.05 0.00 -0.02 0.00 0.00 57.16 57.55 2q4x n GLU 189 Cb 0.83 -1.73 0.14 0.00 -0.02 0.00 0.00 31.44 30.66 2q4x n GLU 189 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2q4x n ASN 190 N -1.94 2.90 -4.87 1.62 4.05 -1.08 -5.07 115.26 110.86 2q4x n ASN 190 Ca 0.02 -2.20 -0.30 0.00 0.45 0.00 0.00 54.58 52.54 2q4x n ASN 190 Cb 0.15 -0.25 -0.03 0.00 1.23 0.00 0.00 39.78 40.88 2q4x n ASN 190 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2q4x s ALA 191 N -1.36 3.35 1.28 5.20 0.00 0.28 -5.09 121.76 125.42 2q4x s ALA 191 Ca 0.23 -0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.77 2q4x s ALA 191 Cb 0.14 -2.71 0.32 0.00 0.00 0.00 0.00 23.12 20.87 2q4x s ALA 191 CO 0.11 -0.01 1.06 -1.13 0.00 0.00 0.00 175.76 175.79 2q4x n SER 192 N -1.31 -2.39 0.04 0.00 3.41 -1.26 -4.88 113.62 107.23 2q4x n SER 192 Ca 0.02 -1.13 -0.20 0.00 -0.26 0.00 0.00 58.87 57.31 2q4x n SER 192 Cb 0.54 -1.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.36 2q4x n SER 192 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2q4x h GLY 193 N -2.84 0.44 1.10 5.00 0.00 -2.00 -3.11 103.07 101.66 2q4x h GLY 193 Ca -0.41 -0.95 -0.18 0.00 0.00 0.00 0.00 47.33 45.79 2q4x h GLY 193 CO 0.26 0.84 -0.52 -2.09 0.00 0.00 0.00 176.54 175.03 2q4x h GLU 194 N -0.17 0.82 -0.09 4.80 4.81 -1.99 -2.21 114.58 120.55 2q4x h GLU 194 Ca -0.13 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.57 2q4x h GLU 194 Cb 1.58 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 2q4x h GLU 194 CO 0.16 1.16 0.05 0.28 -0.73 0.00 0.00 179.01 179.92 2q4x h VAL 195 N 0.58 1.09 -0.65 0.32 2.07 -1.95 -0.74 116.25 116.97 2q4x h VAL 195 Ca 0.01 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.38 2q4x h VAL 195 Cb 1.13 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 2q4x h VAL 195 CO 0.12 0.08 0.23 -0.07 0.02 0.00 0.00 177.57 177.95 2q4x h LEU 196 N 0.05 0.21 -1.14 2.57 3.38 -1.60 -0.33 115.31 118.45 2q4x h LEU 196 Ca 0.03 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2q4x h LEU 196 Cb 0.09 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2q4x h LEU 196 CO -0.00 0.11 0.56 1.23 0.09 0.00 0.00 178.44 180.43 2q4x h GLY 197 N 0.40 1.22 0.96 0.83 0.00 -0.60 0.14 103.07 106.01 2q4x h GLY 197 Ca 0.34 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2q4x h GLY 197 CO -0.35 0.45 0.04 0.83 0.00 0.00 0.00 176.54 177.52 2q4x h GLU 198 N 1.17 0.73 -0.33 4.80 5.08 0.15 -1.94 114.58 124.24 2q4x h GLU 198 Ca 0.31 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2q4x h GLU 198 Cb -0.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2q4x h GLU 198 CO -0.07 0.78 0.01 0.00 -1.00 0.00 0.00 179.01 178.73 2q4x h ALA 199 N 0.92 0.44 0.46 3.43 0.00 -0.40 -1.78 119.26 122.34 2q4x h ALA 199 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2q4x h ALA 199 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2q4x h ALA 199 CO 0.01 0.19 -0.22 1.49 0.00 0.00 0.00 179.25 180.72 2q4x h GLU 200 N 0.39 -0.59 0.00 0.00 4.81 -0.78 -0.77 114.58 117.63 2q4x h GLU 200 Ca 0.10 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2q4x h GLU 200 Cb 0.43 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2q4x h GLU 200 CO 0.01 -0.37 0.25 -0.44 -0.73 0.00 0.00 179.01 177.74 2q4x h ASP 201 N -0.67 0.00 0.83 1.04 3.32 -1.28 -1.35 116.42 118.30 2q4x h ASP 201 Ca -0.06 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.78 2q4x h ASP 201 Cb 0.50 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2q4x h ASP 201 CO 0.10 0.00 -1.27 0.58 -1.72 0.00 0.00 179.24 176.93 2q4x h VAL 202 N 0.00 0.92 0.12 -1.35 2.07 -0.26 -3.27 116.25 114.49 2q4x h VAL 202 Ca 0.00 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 64.96 2q4x h VAL 202 Cb 0.51 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2q4x h VAL 202 CO 0.00 0.53 -0.06 0.25 0.02 0.00 0.00 177.57 178.31 2q4x h LEU 203 N 0.00 -0.14 -0.54 2.57 5.85 -0.25 -2.46 115.31 120.34 2q4x h LEU 203 Ca -0.14 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.27 2q4x h LEU 203 Cb 1.73 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.69 2q4x h LEU 203 CO 0.08 0.44 -0.09 0.58 -0.34 0.00 0.00 178.44 179.10 2q4x h VAL 204 N -0.82 0.49 -0.22 1.05 2.07 -1.71 -1.60 116.25 115.52 2q4x h VAL 204 Ca -0.02 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2q4x h VAL 204 Cb 0.55 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 2q4x h VAL 204 CO 0.03 0.01 -0.33 -0.09 0.02 0.00 0.00 177.57 177.21 2q4x h ARG 205 N 0.04 -0.34 -0.25 1.57 9.65 -1.63 0.29 114.38 123.72 2q4x h ARG 205 Ca 0.27 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.23 2q4x h ARG 205 Cb 0.42 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.00 2q4x h ARG 205 CO -0.53 -0.22 -0.30 0.28 2.80 0.00 0.00 179.97 181.99 2q4x h VAL 206 N -0.35 0.29 -0.60 0.20 2.07 -0.82 0.35 116.25 117.40 2q4x h VAL 206 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 2q4x h VAL 206 Cb 0.54 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 2q4x h VAL 206 CO -0.42 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.31 2q4x h LEU 207 N -0.31 0.18 -0.56 2.57 3.38 -0.33 0.71 115.31 120.94 2q4x h LEU 207 Ca 0.13 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.28 2q4x h LEU 207 Cb 0.52 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 2q4x h LEU 207 CO -0.42 0.11 0.14 -0.33 0.09 0.00 0.00 178.44 178.03 2q4x h GLU 208 N 0.37 0.28 -0.62 1.13 5.08 0.32 0.42 114.58 121.55 2q4x h GLU 208 Ca 0.30 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 2q4x h GLU 208 Cb 0.39 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2q4x h GLU 208 CO -0.32 0.18 0.41 -0.07 -1.00 0.00 0.00 179.01 178.21 2q4x h LEU 209 N 0.29 0.59 -0.47 1.33 3.38 0.13 0.15 115.31 120.70 2q4x h LEU 209 Ca 0.29 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 2q4x h LEU 209 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2q4x h LEU 209 CO -0.35 0.40 -0.50 -0.33 0.09 0.00 0.00 178.44 177.75 2q4x h GLU 210 N 0.68 0.69 -0.44 1.13 4.39 0.15 0.96 114.58 122.14 2q4x h GLU 210 Ca 0.26 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 2q4x h GLU 210 Cb 0.17 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2q4x h GLU 210 CO -0.08 1.03 -0.04 0.28 -1.16 0.00 0.00 179.01 179.04 2q4x h VAL 211 N 0.54 1.27 -0.08 3.13 2.07 0.43 0.33 116.25 123.95 2q4x h VAL 211 Ca 0.02 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 2q4x h VAL 211 Cb 1.06 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2q4x h VAL 211 CO 0.10 0.38 -0.30 0.00 0.02 0.00 0.00 177.57 177.77 2q4x h ALA 212 N 0.89 0.14 -0.75 1.67 0.00 -0.56 -2.88 119.26 117.76 2q4x h ALA 212 Ca 0.12 -0.43 0.12 0.00 0.00 0.00 0.00 54.91 54.72 2q4x h ALA 212 Cb 0.55 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2q4x h ALA 212 CO 0.03 0.18 0.35 0.35 0.00 0.00 0.00 179.25 180.16 2q4x h PHE 213 N -0.14 0.61 -0.08 0.00 3.04 0.11 -2.62 116.94 117.85 2q4x h PHE 213 Ca -0.02 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2q4x h PHE 213 Cb 0.94 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.29 2q4x h PHE 213 CO 0.13 0.16 -0.03 -1.49 -2.02 0.00 0.00 178.31 175.05 2q4x h TRP 214 N 0.55 0.19 0.00 0.41 -0.00 -0.39 -2.62 115.95 114.10 2q4x h TRP 214 Ca 0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.24 2q4x h TRP 214 Cb 0.52 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.63 2q4x h TRP 214 CO -0.13 0.51 0.00 -1.91 -0.00 0.00 0.00 178.44 176.91 2q4x n GLU 215 N -4.77 0.00 0.00 0.49 4.07 -0.99 0.15 120.64 119.59 2q4x n GLU 215 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2q4x n GLU 215 Cb 0.25 -0.90 0.00 0.00 -0.06 0.00 0.00 31.44 30.73 2q4x n GLU 215 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2q4x n SER 217 N 0.57 0.00 0.00 4.31 7.64 -0.99 -1.61 113.62 123.55 2q4x n SER 217 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2q4x n SER 217 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2q4x n SER 217 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2q4x n ARG 218 N 0.00 0.00 0.00 1.43 0.63 0.40 -4.47 116.66 114.65 2q4x n ARG 218 Ca 0.00 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2q4x n ARG 218 Cb 0.00 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.69 2q4x n ARG 218 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53