#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p5x s SER 2 N 0.00 4.73 -0.37 -0.99 1.04 -1.26 -4.79 113.70 112.06 1p5x s SER 2 Ca 0.00 2.01 0.11 0.00 0.48 0.00 0.00 55.95 58.56 1p5x s SER 2 Cb 0.00 -2.55 0.41 0.00 0.10 0.00 0.00 66.02 63.98 1p5x s SER 2 CO 0.00 -1.89 1.32 0.00 0.98 0.00 0.00 173.24 173.66 1p5x n ALA 3 N -2.81 1.88 -0.28 5.32 0.00 -1.25 -1.88 120.51 121.48 1p5x n ALA 3 Ca 0.11 -1.56 -0.05 0.00 0.00 0.00 0.00 53.44 51.93 1p5x n ALA 3 Cb 0.52 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 19.08 1p5x n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1p5x h GLU 4 N 2.00 1.10 -5.55 0.00 4.39 -1.38 -3.43 114.58 111.72 1p5x h GLU 4 Ca -0.28 -0.15 -0.65 0.00 0.34 0.00 0.00 59.36 58.63 1p5x h GLU 4 Cb 1.28 -0.21 -0.32 0.00 -0.10 0.00 0.00 28.75 29.40 1p5x h GLU 4 CO 0.00 0.84 -0.87 0.34 -1.16 0.00 0.00 179.01 178.16 1p5x s ASP 5 N -6.15 2.81 0.27 1.42 -1.08 -1.25 -5.03 116.67 107.67 1p5x s ASP 5 Ca -0.13 -0.48 -0.03 0.00 -0.52 0.00 0.00 52.55 51.39 1p5x s ASP 5 Cb 0.15 -0.98 0.40 0.00 -1.46 0.00 0.00 42.92 41.02 1p5x s ASP 5 CO 0.81 0.18 1.90 0.50 0.52 0.00 0.00 175.17 179.09 1p5x h LYS 6 N 6.38 1.16 -0.02 4.34 3.64 -1.93 -3.28 116.57 126.87 1p5x h LYS 6 Ca -0.28 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1p5x h LYS 6 Cb 1.20 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1p5x h LYS 6 CO 0.47 0.77 0.00 0.72 -2.27 0.00 0.00 179.45 179.14 1p5x n HIS 7 N -4.47 0.02 -4.91 1.91 8.25 -1.26 -4.75 115.22 110.01 1p5x n HIS 7 Ca 0.14 -0.41 -0.33 0.00 -0.26 0.00 0.00 57.72 56.87 1p5x n HIS 7 Cb 0.14 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 1p5x n HIS 7 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1p5x s LYS 8 N -0.83 3.28 0.31 -0.41 1.02 -1.24 -5.00 119.74 116.87 1p5x s LYS 8 Ca 0.01 -0.74 0.13 0.00 0.02 0.00 0.00 55.97 55.39 1p5x s LYS 8 Cb 0.01 -2.53 0.46 0.00 -0.52 0.00 0.00 37.83 35.25 1p5x s LYS 8 CO 0.01 0.21 1.65 0.93 -0.92 0.00 0.00 175.35 177.23 1p5x h GLU 9 N 6.69 0.00 -0.92 1.68 5.08 -1.88 -3.16 114.58 122.06 1p5x h GLU 9 Ca -0.24 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.37 1p5x h GLU 9 Cb 1.22 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.31 1p5x h GLU 9 CO 0.53 0.54 0.08 0.78 -1.00 0.00 0.00 179.01 179.94 1p5x h GLY 10 N 1.91 1.22 -0.93 -3.84 0.00 -1.94 -1.87 103.07 97.62 1p5x h GLY 10 Ca -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1p5x h GLY 10 CO 0.07 -0.45 -0.42 3.33 0.00 0.00 0.00 176.54 179.08 1p5x n VAL 11 N -5.40 1.80 -3.55 4.60 0.24 -1.24 -4.81 118.33 109.97 1p5x n VAL 11 Ca 0.21 -2.60 -0.29 0.00 -2.04 0.00 0.00 64.34 59.62 1p5x n VAL 11 Cb 0.70 -0.08 -0.13 0.00 -1.47 0.00 0.00 33.84 32.86 1p5x n VAL 11 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1p5x s ASN 12 N -2.91 3.25 0.32 -1.34 3.84 -0.70 -0.88 114.94 116.51 1p5x s ASN 12 Ca 0.34 -2.22 0.06 0.00 0.21 0.00 0.00 52.86 51.25 1p5x s ASN 12 Cb 0.33 -0.59 0.55 0.00 -0.55 0.00 0.00 41.25 40.98 1p5x s ASN 12 CO -0.05 -0.31 1.78 0.28 -2.79 0.00 0.00 177.10 176.01 1p5x h SER 13 N 7.08 0.33 -0.32 -4.21 0.02 -1.57 -2.09 113.55 112.78 1p5x h SER 13 Ca 0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1p5x h SER 13 Cb 0.96 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1p5x h SER 13 CO 0.35 0.59 0.17 0.45 -1.14 0.00 0.00 176.83 177.24 1p5x h HIS 14 N 0.30 0.45 -0.62 3.45 3.86 -1.76 -0.00 115.15 120.82 1p5x h HIS 14 Ca 0.05 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 1p5x h HIS 14 Cb 0.61 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1p5x h HIS 14 CO 0.01 0.37 0.05 1.25 0.86 0.00 0.00 177.93 180.47 1p5x h LEU 15 N 0.40 1.04 -0.42 2.43 5.85 -1.81 -2.37 115.31 120.42 1p5x h LEU 15 Ca 0.11 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1p5x h LEU 15 Cb 0.07 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1p5x h LEU 15 CO -0.02 1.06 0.25 -0.25 -0.34 0.00 0.00 178.44 179.15 1p5x h TRP 16 N 0.97 0.47 -0.24 1.25 7.01 -1.05 0.11 115.95 124.48 1p5x h TRP 16 Ca 0.18 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.22 1p5x h TRP 16 Cb 0.50 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 1p5x h TRP 16 CO 0.04 0.28 0.09 0.82 -2.79 0.00 0.00 178.44 176.88 1p5x h ILE 17 N 0.51 0.96 -0.62 2.65 2.04 -0.80 -0.21 117.51 122.04 1p5x h ILE 17 Ca 0.16 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1p5x h ILE 17 Cb -0.01 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1p5x h ILE 17 CO -0.07 0.04 0.20 0.58 0.00 0.00 0.00 178.15 178.90 1p5x h VAL 18 N 0.21 1.24 -0.66 1.67 2.07 -1.10 -1.09 116.25 118.60 1p5x h VAL 18 Ca 0.10 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1p5x h VAL 18 Cb 0.06 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1p5x h VAL 18 CO -0.10 0.32 0.18 0.78 0.02 0.00 0.00 177.57 178.77 1p5x h ASN 19 N 0.88 0.97 0.54 0.57 -0.26 -0.47 -0.34 115.58 117.47 1p5x h ASN 19 Ca 0.20 -0.19 -0.11 0.00 -0.56 0.00 0.00 56.30 55.64 1p5x h ASN 19 Cb 0.29 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1p5x h ASN 19 CO -0.01 0.92 -0.53 0.03 -1.06 0.00 0.00 177.43 176.78 1p5x h ARG 20 N 0.99 0.00 -0.30 0.81 2.47 -0.81 -1.38 114.38 116.15 1p5x h ARG 20 Ca 0.21 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.76 1p5x h ARG 20 Cb 0.32 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1p5x h ARG 20 CO -0.00 0.53 -0.51 0.00 0.56 0.00 0.00 179.97 180.55 1p5x h ALA 21 N 1.47 0.52 -0.51 0.04 0.00 -0.59 -1.83 119.26 118.36 1p5x h ALA 21 Ca -0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1p5x h ALA 21 Cb 0.94 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1p5x h ALA 21 CO 0.07 0.68 0.06 0.82 0.00 0.00 0.00 179.25 180.88 1p5x h ILE 22 N 0.67 1.24 -0.60 0.00 2.04 -0.80 -1.85 117.51 118.20 1p5x h ILE 22 Ca 0.02 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 1p5x h ILE 22 Cb 1.11 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1p5x h ILE 22 CO 0.11 0.33 0.16 0.44 0.00 0.00 0.00 178.15 179.20 1p5x h ASP 23 N 0.77 0.87 -0.47 1.72 3.32 -1.02 -0.47 116.42 121.15 1p5x h ASP 23 Ca 0.16 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1p5x h ASP 23 Cb 0.39 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1p5x h ASP 23 CO 0.01 0.84 0.27 0.40 -1.72 0.00 0.00 179.24 179.04 1p5x h ILE 24 N 0.89 1.15 -0.87 0.35 2.04 -0.67 -0.67 117.51 119.73 1p5x h ILE 24 Ca 0.20 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1p5x h ILE 24 Cb 0.30 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1p5x h ILE 24 CO -0.00 0.16 0.53 0.24 0.00 0.00 0.00 178.15 179.08 1p5x h MET 25 N 0.62 1.18 -0.16 2.37 2.86 -0.74 -1.90 114.93 119.15 1p5x h MET 25 Ca 0.17 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1p5x h MET 25 Cb 0.02 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1p5x h MET 25 CO -0.03 0.82 -0.26 0.77 1.06 0.00 0.00 176.91 179.28 1p5x h SER 26 N 1.20 0.29 1.20 1.22 0.02 -0.62 -2.79 113.55 114.07 1p5x h SER 26 Ca 0.31 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1p5x h SER 26 Cb -0.06 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1p5x h SER 26 CO -0.06 0.56 -0.34 0.03 -1.14 0.00 0.00 176.83 175.87 1p5x h ARG 27 N 0.27 0.00 -6.21 3.45 3.08 -0.55 -3.43 114.38 110.98 1p5x h ARG 27 Ca 0.04 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.53 1p5x h ARG 27 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1p5x h ARG 27 CO 0.04 0.34 0.80 1.21 -1.07 0.00 0.00 179.97 181.30 1p5x s ASN 28 N -6.33 7.01 0.00 7.04 3.84 -0.77 -4.62 114.94 121.11 1p5x s ASN 28 Ca 0.02 1.72 0.06 0.00 0.21 0.00 0.00 52.86 54.87 1p5x s ASN 28 Cb 0.09 -2.55 0.16 0.00 -0.55 0.00 0.00 41.25 38.40 1p5x s ASN 28 CO 0.69 -0.67 1.08 0.35 -2.79 0.00 0.00 177.10 175.75 1p5x n THR 29 N 5.03 0.83 -0.01 -5.21 -2.24 -1.26 -4.36 114.28 107.06 1p5x n THR 29 Ca 0.12 -0.91 0.03 0.00 -2.27 0.00 0.00 64.05 61.02 1p5x n THR 29 Cb 0.46 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 1p5x n THR 29 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1p5x n THR 30 N 0.15 0.04 0.00 4.28 -2.24 -1.26 -4.88 114.28 110.37 1p5x n THR 30 Ca 0.06 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1p5x n THR 30 Cb 0.32 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1p5x n THR 30 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1p5x n LEU 31 N -1.79 0.66 -4.71 3.22 7.94 -1.26 -5.07 117.00 115.99 1p5x n LEU 31 Ca -0.02 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.47 1p5x n LEU 31 Cb 0.23 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.15 1p5x n LEU 31 CO 0.15 0.11 0.57 -0.69 -1.11 0.00 0.00 177.39 176.42 1p5x s VAL 32 N -1.58 4.91 -0.44 1.96 1.01 -1.26 -5.01 120.40 120.00 1p5x s VAL 32 Ca 0.00 1.83 -0.26 0.00 0.00 0.00 0.00 61.98 63.55 1p5x s VAL 32 Cb 0.00 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1p5x s VAL 32 CO 0.00 0.21 0.96 -0.54 0.00 0.00 0.00 175.10 175.73 1p5x s LYS 33 N 0.84 3.66 0.35 2.72 -0.14 -1.26 -4.86 119.74 121.05 1p5x s LYS 33 Ca 0.46 0.35 0.23 0.00 -1.36 0.00 0.00 55.97 55.66 1p5x s LYS 33 Cb -0.20 -3.89 1.25 0.00 -1.68 0.00 0.00 37.83 33.31 1p5x s LYS 33 CO 0.24 -1.17 1.69 1.96 -0.76 0.00 0.00 175.35 177.32 1p5x h GLN 34 N 8.92 0.00 0.00 1.68 1.08 -1.92 -0.01 115.11 124.85 1p5x h GLN 34 Ca -0.24 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.95 1p5x h GLN 34 Cb 1.07 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1p5x h GLN 34 CO 1.03 0.00 -0.08 0.22 -0.95 0.00 0.00 178.83 179.05 1p5x h ASP 35 N 0.00 0.00 -0.19 1.46 3.58 -1.99 -1.51 116.42 117.77 1p5x h ASP 35 Ca 0.00 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 1p5x h ASP 35 Cb 0.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1p5x h ASP 35 CO 0.00 0.08 -0.56 0.03 -2.88 0.00 0.00 179.24 175.91 1p5x h ARG 36 N 0.00 0.78 -0.28 0.28 3.08 -1.40 -2.17 114.38 114.68 1p5x h ARG 36 Ca -0.00 -0.50 -0.12 0.00 0.07 0.00 0.00 59.98 59.43 1p5x h ARG 36 Cb 0.31 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1p5x h ARG 36 CO 0.01 1.13 -0.33 0.28 -1.07 0.00 0.00 179.97 179.98 1p5x h VAL 37 N 0.60 1.29 -0.61 2.04 2.07 -1.44 -2.34 116.25 117.86 1p5x h VAL 37 Ca 0.01 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 1p5x h VAL 37 Cb 1.15 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1p5x h VAL 37 CO 0.12 0.47 0.23 0.00 0.02 0.00 0.00 177.57 178.40 1p5x h ALA 38 N 1.13 1.26 -0.34 1.67 0.00 -1.22 -1.95 119.26 119.81 1p5x h ALA 38 Ca 0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1p5x h ALA 38 Cb 0.82 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1p5x h ALA 38 CO 0.07 0.54 -0.22 1.96 0.00 0.00 0.00 179.25 181.59 1p5x h GLN 39 N 0.88 0.76 -0.75 0.00 4.20 -1.10 -0.66 115.11 118.43 1p5x h GLN 39 Ca 0.21 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.59 1p5x h GLN 39 Cb 0.19 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1p5x h GLN 39 CO -0.02 0.97 0.48 -0.07 -0.67 0.00 0.00 178.83 179.53 1p5x h LEU 40 N 0.53 0.80 -0.78 1.46 3.38 -1.15 -1.99 115.31 117.56 1p5x h LEU 40 Ca 0.07 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1p5x h LEU 40 Cb 0.78 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1p5x h LEU 40 CO 0.06 0.56 -0.60 0.78 0.09 0.00 0.00 178.44 179.33 1p5x h ASN 41 N 0.94 0.00 -0.05 -0.43 -0.26 -1.25 -1.75 115.58 112.78 1p5x h ASN 41 Ca 0.29 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.94 1p5x h ASN 41 Cb -0.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1p5x h ASN 41 CO -0.10 0.60 -0.26 -0.08 -1.06 0.00 0.00 177.43 176.52 1p5x h GLU 42 N 0.00 0.49 -0.43 0.81 4.81 -0.45 -3.04 114.58 116.76 1p5x h GLU 42 Ca -0.01 -0.19 -0.28 0.00 -0.13 0.00 0.00 59.36 58.76 1p5x h GLU 42 Cb 1.08 -0.03 -0.18 0.00 0.63 0.00 0.00 28.75 30.25 1p5x h GLU 42 CO 0.08 0.71 -0.25 0.91 -0.73 0.00 0.00 179.01 179.73 1p5x n TRP 43 N -4.11 1.45 -0.21 0.92 7.02 -0.81 -4.74 117.44 116.95 1p5x n TRP 43 Ca -0.00 -1.85 0.05 0.00 -1.02 0.00 0.00 57.50 54.67 1p5x n TRP 43 Cb 0.42 -0.50 0.31 0.00 -2.42 0.00 0.00 31.31 29.12 1p5x n TRP 43 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1p5x h ARG 44 N 1.35 0.83 0.05 -0.99 2.43 -1.20 -1.24 114.38 115.62 1p5x h ARG 44 Ca 0.25 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1p5x h ARG 44 Cb 1.45 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1p5x h ARG 44 CO 0.51 0.55 -0.10 1.15 -1.51 0.00 0.00 179.97 180.57 1p5x h THR 45 N 0.86 0.76 -0.53 0.20 2.02 -1.86 0.21 112.91 114.57 1p5x h THR 45 Ca 0.32 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.43 1p5x h THR 45 Cb 0.17 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1p5x h THR 45 CO -0.10 0.00 0.04 -0.33 0.37 0.00 0.00 175.52 175.49 1p5x h GLU 46 N -0.19 0.88 -0.09 6.66 3.07 -1.82 -0.91 114.58 122.17 1p5x h GLU 46 Ca 0.02 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1p5x h GLU 46 Cb 0.21 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1p5x h GLU 46 CO -0.07 0.85 0.04 1.25 -1.40 0.00 0.00 179.01 179.69 1p5x h LEU 47 N 0.82 0.11 -1.10 1.33 5.85 -0.82 -1.94 115.31 119.56 1p5x h LEU 47 Ca 0.16 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1p5x h LEU 47 Cb 0.44 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1p5x h LEU 47 CO 0.02 0.20 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.89 1p5x h GLU 48 N 0.02 0.52 -0.64 1.25 5.08 -0.44 -1.99 114.58 118.39 1p5x h GLU 48 Ca 0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1p5x h GLU 48 Cb 0.12 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1p5x h GLU 48 CO -0.00 0.62 0.41 -0.91 -1.00 0.00 0.00 179.01 178.12 1p5x h ASN 49 N 0.49 0.75 -0.52 1.42 -0.26 -0.92 -1.20 115.58 115.32 1p5x h ASN 49 Ca 0.09 -0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.72 1p5x h ASN 49 Cb 0.46 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 1p5x h ASN 49 CO 0.03 0.56 0.03 1.23 -1.06 0.00 0.00 177.43 178.22 1p5x h GLY 50 N 0.86 0.98 1.32 2.83 0.00 -0.93 0.13 103.07 108.26 1p5x h GLY 50 Ca 0.23 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1p5x h GLY 50 CO -0.05 0.64 0.28 -2.22 0.00 0.00 0.00 176.54 175.19 1p5x h ILE 51 N 0.78 1.21 0.03 2.60 2.04 -1.05 -3.18 117.51 119.93 1p5x h ILE 51 Ca 0.15 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 1p5x h ILE 51 Cb 0.48 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1p5x h ILE 51 CO 0.02 0.25 -0.36 0.22 0.00 0.00 0.00 178.15 178.28 1p5x h TYR 52 N 0.87 0.31 -0.43 1.37 3.20 -0.98 -3.35 116.97 117.97 1p5x h TYR 52 Ca 0.21 -0.19 0.12 0.00 3.14 0.00 0.00 58.73 62.02 1p5x h TYR 52 Cb 0.12 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1p5x h TYR 52 CO 0.01 1.04 0.36 0.00 -1.64 0.00 0.00 178.16 177.94 1p5x h ALA 53 N 0.19 2.26 -0.68 1.82 0.00 -0.72 -2.50 119.26 119.63 1p5x h ALA 53 Ca -0.05 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1p5x h ALA 53 Cb 1.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1p5x h ALA 53 CO 0.07 -0.59 0.46 0.00 0.00 0.00 0.00 179.25 179.19 1p5x h ALA 54 N 1.68 1.99 -0.36 0.00 0.00 -1.68 -2.20 119.26 118.68 1p5x h ALA 54 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1p5x h ALA 54 Cb 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1p5x h ALA 54 CO -0.00 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.19 1p5x n ASN 55 N -4.48 3.06 0.00 0.00 3.02 -0.94 -3.15 115.26 112.76 1p5x n ASN 55 Ca 0.12 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1p5x n ASN 55 Cb 0.40 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1p5x n ASN 55 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1p5x n TYR 56 N 1.23 0.00 -3.72 3.10 4.01 -0.85 -4.94 117.16 115.99 1p5x n TYR 56 Ca 0.19 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.83 1p5x n TYR 56 Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.52 1p5x n TYR 56 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1p5x s GLU 57 N -0.18 1.03 0.55 -0.72 -1.05 -1.11 -5.01 118.70 112.21 1p5x s GLU 57 Ca 0.00 -0.82 -0.17 0.00 -0.15 0.00 0.00 54.97 53.84 1p5x s GLU 57 Cb 0.00 0.43 -0.06 0.00 -0.44 0.00 0.00 34.13 34.06 1p5x s GLU 57 CO 0.00 -0.39 1.02 -0.80 0.95 0.00 0.00 175.26 176.04 1p5x s ASN 58 N -2.83 6.24 0.00 0.83 0.02 -1.26 -1.55 114.94 116.39 1p5x s ASN 58 Ca 0.05 1.70 0.28 0.00 -1.02 0.00 0.00 52.86 53.88 1p5x s ASN 58 Cb 0.03 -2.52 1.17 0.00 0.02 0.00 0.00 41.25 39.95 1p5x s ASN 58 CO -0.10 -0.85 1.82 -0.81 0.02 0.00 0.00 177.10 177.18 1p5x n PRO 59 N -1.72 0.81 -0.33 -0.60 -0.04 -1.26 -4.87 135.00 126.98 1p5x n PRO 59 Ca 0.08 -0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.33 1p5x n PRO 59 Cb 0.53 -1.49 0.31 0.00 -0.04 0.00 0.00 33.50 32.82 1p5x n PRO 59 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1p5x h TYR 60 N 0.78 1.02 -0.57 0.54 0.05 -1.72 -2.20 116.97 114.87 1p5x h TYR 60 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1p5x h TYR 60 Cb 0.37 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1p5x h TYR 60 CO 0.00 0.33 0.00 2.48 -1.05 0.00 0.00 178.16 179.92 1p5x n TYR 61 N -4.65 1.63 -3.93 4.88 4.11 -0.59 -4.74 117.16 113.85 1p5x n TYR 61 Ca 0.20 -0.68 -0.39 0.00 -0.00 0.00 0.00 57.90 57.03 1p5x n TYR 61 Cb 0.48 -0.35 0.02 0.00 -0.00 0.00 0.00 39.34 39.49 1p5x n TYR 61 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1p5x n ASP 62 N 0.73 -4.58 -3.92 9.48 8.00 -0.83 -1.17 116.55 124.26 1p5x n ASP 62 Ca 0.26 -1.16 -0.30 0.00 0.71 0.00 0.00 54.79 54.30 1p5x n ASP 62 Cb 1.00 -2.01 0.02 0.00 -0.02 0.00 0.00 41.12 40.11 1p5x n ASP 62 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p5x n ASN 63 N -2.32 -4.61 -0.39 -2.24 5.03 -1.26 -1.28 115.26 108.19 1p5x n ASN 63 Ca -0.15 -0.79 -0.05 0.00 0.87 0.00 0.00 54.58 54.45 1p5x n ASN 63 Cb 0.59 -3.83 -0.02 0.00 -1.02 0.00 0.00 39.78 35.50 1p5x n ASN 63 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1p5x n SER 64 N -2.83 -4.33 0.01 6.41 7.64 -0.53 -4.87 113.62 115.11 1p5x n SER 64 Ca 0.03 0.12 0.11 0.00 1.01 0.00 0.00 58.87 60.15 1p5x n SER 64 Cb 0.53 -2.28 -0.12 0.00 -1.01 0.00 0.00 64.21 61.33 1p5x n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1p5x n THR 65 N -2.61 0.10 -2.19 0.44 -2.24 -0.40 -4.97 114.28 102.40 1p5x n THR 65 Ca -0.05 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.17 1p5x n THR 65 Cb 0.29 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1p5x n THR 65 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1p5x n PHE 66 N -2.17 -1.02 -0.26 4.78 3.01 -0.32 -4.85 117.46 116.63 1p5x n PHE 66 Ca -0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.53 1p5x n PHE 66 Cb 0.52 -3.13 0.34 0.00 -0.01 0.00 0.00 39.48 37.20 1p5x n PHE 66 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1p5x h ALA 67 N 0.88 1.72 0.00 4.37 0.00 -1.84 -1.68 119.26 122.71 1p5x h ALA 67 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1p5x h ALA 67 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1p5x h ALA 67 CO 0.44 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.66 1p5x n SER 68 N -4.53 0.00 -0.62 0.00 3.41 -1.19 -2.81 113.62 107.89 1p5x n SER 68 Ca 0.15 0.01 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1p5x n SER 68 Cb 0.34 -0.30 0.37 0.00 -0.26 0.00 0.00 64.21 64.36 1p5x n SER 68 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1p5x n HIS 69 N -1.30 0.21 -4.41 7.33 -0.00 -0.63 -1.85 115.22 114.57 1p5x n HIS 69 Ca 0.10 -0.11 -0.26 0.00 -0.00 0.00 0.00 57.72 57.45 1p5x n HIS 69 Cb 0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.06 1p5x n HIS 69 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1p5x s PHE 70 N -1.79 2.25 -0.30 4.41 0.40 -1.12 -4.63 117.98 117.20 1p5x s PHE 70 Ca 0.33 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 56.20 1p5x s PHE 70 Cb 0.18 -1.11 0.17 0.00 0.51 0.00 0.00 43.02 42.77 1p5x s PHE 70 CO 0.27 0.48 0.83 -0.47 0.70 0.00 0.00 175.22 177.04 1p5x s TYR 71 N -1.71 -1.04 -0.37 0.36 5.04 -0.83 -0.95 117.35 117.85 1p5x s TYR 71 Ca 0.20 1.38 -0.18 0.00 -2.44 0.00 0.00 57.07 56.03 1p5x s TYR 71 Cb -0.08 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.70 1p5x s TYR 71 CO 0.09 -0.55 0.49 0.34 -1.34 0.00 0.00 175.55 174.59 1p5x s ASP 72 N 2.78 6.28 0.57 4.32 -1.08 -0.10 -4.25 116.67 125.19 1p5x s ASP 72 Ca 0.05 -0.18 0.28 0.00 -0.52 0.00 0.00 52.55 52.17 1p5x s ASP 72 Cb -0.11 -2.26 1.71 0.00 -1.46 0.00 0.00 42.92 40.80 1p5x s ASP 72 CO -0.17 -0.50 2.22 1.55 0.52 0.00 0.00 175.17 178.79 1p5x h PRO 73 N 8.54 0.00 -0.03 4.34 0.13 -1.88 0.58 132.00 143.68 1p5x h PRO 73 Ca -0.28 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 1p5x h PRO 73 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1p5x h PRO 73 CO 0.77 0.02 -0.61 -0.44 -0.23 0.00 0.00 178.00 177.51 1p5x h ASP 74 N 0.00 0.14 0.00 1.44 3.32 -1.92 -3.33 116.42 116.06 1p5x h ASP 74 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1p5x h ASP 74 Cb 0.05 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1p5x h ASP 74 CO 0.00 0.72 0.00 -0.46 -1.72 0.00 0.00 179.24 177.78 1p5x n ASN 75 N -3.84 0.36 -1.48 6.45 0.23 -1.11 -5.02 115.26 110.85 1p5x n ASN 75 Ca -0.02 -0.67 -0.14 0.00 -0.53 0.00 0.00 54.58 53.23 1p5x n ASN 75 Cb 0.62 0.50 -0.01 0.00 -2.08 0.00 0.00 39.78 38.80 1p5x n ASN 75 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1p5x n GLY 76 N 0.50 0.02 3.44 4.83 0.00 0.20 -5.02 105.19 109.16 1p5x n GLY 76 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1p5x n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p5x s LYS 77 N -4.48 1.58 0.24 1.61 1.02 -1.20 -4.85 119.74 113.67 1p5x s LYS 77 Ca 0.00 -1.74 0.02 0.00 0.02 0.00 0.00 55.97 54.27 1p5x s LYS 77 Cb 0.00 -1.52 0.04 0.00 -0.52 0.00 0.00 37.83 35.84 1p5x s LYS 77 CO 0.00 0.24 0.33 -2.37 -0.92 0.00 0.00 175.35 172.63 1p5x n THR 78 N -0.57 0.00 0.93 2.17 5.66 -1.26 -0.93 114.28 120.29 1p5x n THR 78 Ca -0.06 -0.67 0.13 0.00 -3.05 0.00 0.00 64.05 60.40 1p5x n THR 78 Cb 0.61 -0.97 0.58 0.00 -1.55 0.00 0.00 70.33 68.99 1p5x n THR 78 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p5x n TYR 79 N -1.67 0.04 -4.22 1.09 4.11 -1.26 -4.67 117.16 110.59 1p5x n TYR 79 Ca 0.06 0.01 -0.34 0.00 -0.00 0.00 0.00 57.90 57.63 1p5x n TYR 79 Cb 0.22 -0.52 -0.14 0.00 -0.00 0.00 0.00 39.34 38.91 1p5x n TYR 79 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 1p5x s ILE 80 N -3.01 3.38 0.22 -3.48 1.01 -1.26 -5.08 121.20 112.99 1p5x s ILE 80 Ca 0.13 -0.51 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 1p5x s ILE 80 Cb 0.18 -2.50 -0.15 0.00 0.01 0.00 0.00 42.46 40.00 1p5x s ILE 80 CO 0.51 0.46 1.20 -2.65 0.00 0.00 0.00 174.94 174.46 1p5x n PRO 81 N 4.24 1.49 -0.87 2.79 -0.02 -1.26 -1.94 135.00 139.43 1p5x n PRO 81 Ca -0.18 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1p5x n PRO 81 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1p5x n PRO 81 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1p5x n PHE 82 N 1.30 0.00 -2.28 6.00 3.72 -1.26 -4.99 117.46 119.95 1p5x n PHE 82 Ca 0.12 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.25 1p5x n PHE 82 Cb 0.29 -1.42 0.04 0.00 -0.94 0.00 0.00 39.48 37.44 1p5x n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1p5x s ALA 83 N -1.37 3.21 0.36 4.37 0.00 -0.82 -5.04 121.76 122.47 1p5x s ALA 83 Ca 0.00 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.07 1p5x s ALA 83 Cb 0.00 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 20.34 1p5x s ALA 83 CO 0.00 -0.88 1.10 0.15 0.00 0.00 0.00 175.76 176.13 1p5x s LYS 84 N -5.07 4.28 0.41 0.00 -0.14 -1.26 -4.69 119.74 113.27 1p5x s LYS 84 Ca 0.55 1.70 0.07 0.00 -1.36 0.00 0.00 55.97 56.94 1p5x s LYS 84 Cb -0.11 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 33.22 1p5x s LYS 84 CO 0.47 -0.08 0.25 1.14 -0.76 0.00 0.00 175.35 176.36 1p5x s GLN 85 N -2.11 2.33 0.51 1.68 1.03 -1.26 -3.14 119.66 118.71 1p5x s GLN 85 Ca 0.53 -1.73 0.18 0.00 0.04 0.00 0.00 55.36 54.38 1p5x s GLN 85 Cb -0.28 -2.12 1.27 0.00 0.03 0.00 0.00 33.01 31.91 1p5x s GLN 85 CO 0.35 -0.13 2.11 0.00 -2.54 0.00 0.00 175.29 175.08 1p5x h ALA 86 N 1.30 1.81 0.30 2.60 0.00 -0.28 -2.34 119.26 122.65 1p5x h ALA 86 Ca -0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1p5x h ALA 86 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p5x h ALA 86 CO 0.66 0.08 -0.15 -0.22 0.00 0.00 0.00 179.25 179.62 1p5x h LYS 87 N 0.00 -0.39 -0.20 0.00 3.64 -1.85 0.68 116.57 118.44 1p5x h LYS 87 Ca -0.00 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1p5x h LYS 87 Cb 0.12 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1p5x h LYS 87 CO 0.01 -0.06 -0.30 1.05 -2.27 0.00 0.00 179.45 177.88 1p5x h GLU 88 N -0.80 0.39 -0.10 1.90 4.11 -1.96 -2.14 114.58 115.98 1p5x h GLU 88 Ca -0.04 -0.15 -0.10 0.00 0.07 0.00 0.00 59.36 59.14 1p5x h GLU 88 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1p5x h GLU 88 CO 0.07 0.65 -0.33 1.15 0.07 0.00 0.00 179.01 180.62 1p5x h THR 89 N 0.34 1.39 -0.44 -1.06 2.02 -1.44 -1.64 112.91 112.09 1p5x h THR 89 Ca 0.05 -1.67 -0.07 0.00 0.77 0.00 0.00 66.41 65.49 1p5x h THR 89 Cb 0.70 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 1p5x h THR 89 CO 0.05 0.49 -0.01 1.23 0.37 0.00 0.00 175.52 177.65 1p5x h GLY 90 N -0.04 0.76 1.49 2.16 0.00 -0.84 -2.57 103.07 104.03 1p5x h GLY 90 Ca -0.01 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1p5x h GLY 90 CO 0.07 0.46 -0.37 0.00 0.00 0.00 0.00 176.54 176.70 1p5x h ALA 91 N 1.33 0.88 -0.35 3.60 0.00 -1.39 -2.30 119.26 121.04 1p5x h ALA 91 Ca 0.13 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1p5x h ALA 91 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1p5x h ALA 91 CO 0.02 0.63 0.19 -0.22 0.00 0.00 0.00 179.25 179.87 1p5x h LYS 92 N 0.47 0.37 0.00 0.00 3.64 -0.90 -2.13 116.57 118.02 1p5x h LYS 92 Ca 0.05 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1p5x h LYS 92 Cb 0.86 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1p5x h LYS 92 CO 0.07 0.25 -0.20 1.88 -2.27 0.00 0.00 179.45 179.18 1p5x h TYR 93 N 0.39 0.00 -0.23 1.91 0.05 -1.44 -1.46 116.97 116.19 1p5x h TYR 93 Ca 0.14 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1p5x h TYR 93 Cb 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1p5x h TYR 93 CO -0.09 0.20 0.03 0.35 -1.05 0.00 0.00 178.16 177.60 1p5x h PHE 94 N 0.00 0.42 -0.28 4.88 3.04 -1.04 -0.94 116.94 123.02 1p5x h PHE 94 Ca -0.00 -0.06 -0.19 0.00 3.98 0.00 0.00 57.97 61.70 1p5x h PHE 94 Cb 0.99 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.39 1p5x h PHE 94 CO 0.00 0.53 -0.57 0.87 -2.02 0.00 0.00 178.31 177.12 1p5x h LYS 95 N 0.18 0.87 -0.60 1.11 1.57 -1.30 -2.31 116.57 116.09 1p5x h LYS 95 Ca 0.07 -0.56 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 1p5x h LYS 95 Cb 0.35 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1p5x h LYS 95 CO 0.01 1.20 0.19 -0.07 -0.57 0.00 0.00 179.45 180.21 1p5x h LEU 96 N 0.66 0.84 -0.36 2.94 3.38 -1.25 -1.65 115.31 119.87 1p5x h LEU 96 Ca 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1p5x h LEU 96 Cb 1.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1p5x h LEU 96 CO 0.13 0.78 0.15 0.00 0.09 0.00 0.00 178.44 179.59 1p5x h ALA 97 N 1.33 0.47 -0.62 1.53 0.00 -1.06 -2.49 119.26 118.43 1p5x h ALA 97 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1p5x h ALA 97 Cb 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1p5x h ALA 97 CO -0.01 0.06 0.26 0.78 0.00 0.00 0.00 179.25 180.34 1p5x h GLY 98 N 0.44 0.98 1.01 0.00 0.00 -1.02 -1.01 103.07 103.47 1p5x h GLY 98 Ca 0.12 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1p5x h GLY 98 CO -0.01 0.50 0.46 0.83 0.00 0.00 0.00 176.54 178.31 1p5x h GLU 99 N 0.86 1.03 -0.57 4.80 5.08 -1.21 -0.40 114.58 124.16 1p5x h GLU 99 Ca 0.21 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1p5x h GLU 99 Cb 0.19 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1p5x h GLU 99 CO -0.02 0.73 0.06 0.77 -1.00 0.00 0.00 179.01 179.55 1p5x h SER 100 N 1.03 0.93 -0.61 1.42 0.02 -1.23 -2.26 113.55 112.85 1p5x h SER 100 Ca 0.27 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1p5x h SER 100 Cb -0.04 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1p5x h SER 100 CO -0.05 0.97 0.38 0.22 -1.14 0.00 0.00 176.83 177.21 1p5x h TYR 101 N 0.85 0.71 0.00 3.45 3.20 -0.56 -0.77 116.97 123.84 1p5x h TYR 101 Ca 0.17 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1p5x h TYR 101 Cb 0.46 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1p5x h TYR 101 CO 0.03 0.41 -0.20 0.87 -1.64 0.00 0.00 178.16 177.63 1p5x h LYS 102 N 0.75 0.00 -0.55 1.82 1.57 -0.89 -1.76 116.57 117.51 1p5x h LYS 102 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1p5x h LYS 102 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1p5x h LYS 102 CO -0.09 0.20 0.00 0.09 -0.57 0.00 0.00 179.45 179.08 1p5x n ASN 103 N -3.79 3.00 -0.83 0.86 3.02 -0.52 -4.93 115.26 112.07 1p5x n ASN 103 Ca -0.02 -2.15 -0.11 0.00 -0.03 0.00 0.00 54.58 52.28 1p5x n ASN 103 Cb 0.30 -0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 39.03 1p5x n ASN 103 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p5x n LYS 104 N 0.82 -1.34 -3.01 3.52 4.01 -0.66 -4.93 118.16 116.57 1p5x n LYS 104 Ca 0.17 0.85 -0.44 0.00 -0.51 0.00 0.00 58.31 58.38 1p5x n LYS 104 Cb 0.53 -5.07 -0.01 0.00 -0.51 0.00 0.00 35.03 29.97 1p5x n LYS 104 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1p5x s ASP 105 N -2.53 6.95 0.27 4.39 -1.08 -0.41 -4.86 116.67 119.40 1p5x s ASP 105 Ca 0.00 -2.75 -0.03 0.00 -0.52 0.00 0.00 52.55 49.25 1p5x s ASP 105 Cb 0.00 -2.37 0.36 0.00 -1.46 0.00 0.00 42.92 39.45 1p5x s ASP 105 CO 0.00 -0.78 1.87 0.24 0.52 0.00 0.00 175.17 177.02 1p5x h MET 106 N 7.65 1.01 -0.29 4.34 2.86 -1.91 -1.31 114.93 127.29 1p5x h MET 106 Ca 0.24 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1p5x h MET 106 Cb 0.93 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1p5x h MET 106 CO 1.14 0.79 0.15 0.87 1.06 0.00 0.00 176.91 180.93 1p5x h LYS 107 N 1.00 0.40 -0.36 1.72 1.57 -1.97 -1.80 116.57 117.13 1p5x h LYS 107 Ca 0.24 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1p5x h LYS 107 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1p5x h LYS 107 CO -0.03 0.36 -0.05 0.37 -0.57 0.00 0.00 179.45 179.54 1p5x h GLN 108 N 0.34 0.67 0.10 3.15 5.75 -1.94 -2.71 115.11 120.47 1p5x h GLN 108 Ca 0.10 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1p5x h GLN 108 Cb 0.08 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1p5x h GLN 108 CO -0.02 0.80 -0.19 0.00 -2.65 0.00 0.00 178.83 176.78 1p5x h ALA 109 N 0.84 -0.31 0.00 3.38 0.00 -1.07 -1.83 119.26 120.27 1p5x h ALA 109 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p5x h ALA 109 Cb 0.53 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1p5x h ALA 109 CO 0.03 -0.71 -0.20 0.74 0.00 0.00 0.00 179.25 179.10 1p5x h PHE 110 N -0.36 0.00 0.04 0.00 0.04 -1.40 -1.06 116.94 114.21 1p5x h PHE 110 Ca 0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1p5x h PHE 110 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1p5x h PHE 110 CO -0.19 0.20 -0.02 0.35 -0.60 0.00 0.00 178.31 178.05 1p5x h PHE 111 N 0.00 -0.05 -0.25 -0.55 3.57 -1.27 -1.37 116.94 117.02 1p5x h PHE 111 Ca -0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1p5x h PHE 111 Cb 0.84 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1p5x h PHE 111 CO 0.00 0.36 -0.00 1.88 -2.23 0.00 0.00 178.31 178.32 1p5x h TYR 112 N -0.48 0.38 -0.58 0.41 0.05 -1.21 -1.94 116.97 113.59 1p5x h TYR 112 Ca -0.01 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 1p5x h TYR 112 Cb 0.44 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1p5x h TYR 112 CO 0.07 0.39 -0.05 1.25 -1.05 0.00 0.00 178.16 178.77 1p5x h LEU 113 N 0.36 1.05 -0.95 3.88 5.85 -1.07 -1.14 115.31 123.29 1p5x h LEU 113 Ca 0.08 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1p5x h LEU 113 Cb 0.25 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1p5x h LEU 113 CO 0.01 1.12 0.62 1.23 -0.34 0.00 0.00 178.44 181.08 1p5x h GLY 114 N 0.97 1.36 0.85 3.75 0.00 -0.51 0.93 103.07 110.42 1p5x h GLY 114 Ca 0.16 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1p5x h GLY 114 CO 0.04 0.44 0.04 1.41 0.00 0.00 0.00 176.54 178.47 1p5x h LEU 115 N 1.23 0.30 -0.69 3.11 3.38 -1.05 -1.48 115.31 120.11 1p5x h LEU 115 Ca 0.37 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1p5x h LEU 115 Cb -0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1p5x h LEU 115 CO -0.10 0.46 0.43 -1.28 0.09 0.00 0.00 178.44 178.04 1p5x h SER 116 N 0.12 0.71 -0.09 -0.43 0.87 -0.62 -1.42 113.55 112.69 1p5x h SER 116 Ca 0.06 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1p5x h SER 116 Cb 0.28 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1p5x h SER 116 CO 0.00 0.49 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.66 1p5x h LEU 117 N 0.85 0.32 0.21 2.23 3.38 -0.66 -1.83 115.31 119.81 1p5x h LEU 117 Ca 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1p5x h LEU 117 Cb 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1p5x h LEU 117 CO -0.11 0.43 -0.10 -0.74 0.09 0.00 0.00 178.44 178.01 1p5x h HIS 118 N 0.33 -0.27 -0.94 1.13 2.76 -0.18 0.15 115.15 118.14 1p5x h HIS 118 Ca 0.07 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1p5x h HIS 118 Cb 0.32 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 1p5x h HIS 118 CO 0.01 -0.11 0.61 1.88 -1.30 0.00 0.00 177.93 179.01 1p5x h TYR 119 N -0.35 1.20 -0.81 5.26 0.05 -1.20 -0.21 116.97 120.90 1p5x h TYR 119 Ca -0.03 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1p5x h TYR 119 Cb 0.27 -0.40 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 1p5x h TYR 119 CO -0.04 0.77 0.42 1.25 -1.05 0.00 0.00 178.16 179.50 1p5x h LEU 120 N 1.29 1.04 -0.35 3.88 5.85 -1.14 -2.58 115.31 123.29 1p5x h LEU 120 Ca 0.34 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1p5x h LEU 120 Cb -0.12 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.62 1p5x h LEU 120 CO -0.07 0.86 0.19 1.23 -0.34 0.00 0.00 178.44 180.32 1p5x h GLY 121 N 1.14 0.52 0.63 3.75 0.00 0.09 -3.13 103.07 106.08 1p5x h GLY 121 Ca 0.28 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.46 1p5x h GLY 121 CO -0.04 0.22 0.53 -0.55 0.00 0.00 0.00 176.54 176.70 1p5x h ASP 122 N 0.44 0.80 0.39 0.19 3.32 -0.69 -1.04 116.42 119.83 1p5x h ASP 122 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1p5x h ASP 122 Cb 0.05 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1p5x h ASP 122 CO -0.02 0.49 0.00 1.33 -1.72 0.00 0.00 179.24 179.32 1p5x n VAL 123 N -4.66 1.20 1.13 -1.35 0.24 -1.09 -0.83 118.33 112.98 1p5x n VAL 123 Ca 0.14 0.30 0.13 0.00 -2.04 0.00 0.00 64.34 62.87 1p5x n VAL 123 Cb 0.23 -1.10 0.51 0.00 -1.47 0.00 0.00 33.84 32.01 1p5x n VAL 123 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1p5x n ASN 124 N -1.49 0.28 -4.53 -1.34 4.13 -0.40 -4.05 115.26 107.86 1p5x n ASN 124 Ca 0.03 -0.05 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 1p5x n ASN 124 Cb 0.13 -0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 38.16 1p5x n ASN 124 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1p5x s GLN 125 N -2.83 3.38 0.34 3.52 -0.44 -0.01 -4.84 119.66 118.77 1p5x s GLN 125 Ca 0.18 -0.21 0.14 0.00 -2.50 0.00 0.00 55.36 52.98 1p5x s GLN 125 Cb 0.19 -3.93 1.11 0.00 -1.64 0.00 0.00 33.01 28.74 1p5x s GLN 125 CO 0.56 -1.03 1.63 -1.35 0.50 0.00 0.00 175.29 175.61 1p5x h PRO 126 N 8.87 0.20 -0.48 1.67 0.11 -1.82 0.20 132.00 140.75 1p5x h PRO 126 Ca -0.25 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 1p5x h PRO 126 Cb 1.09 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1p5x h PRO 126 CO 0.92 0.13 0.06 0.52 -0.21 0.00 0.00 178.00 179.42 1p5x h MET 127 N 0.20 0.75 0.00 1.05 2.86 -1.91 -2.10 114.93 115.78 1p5x h MET 127 Ca 0.74 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 58.18 1p5x h MET 127 Cb 1.76 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 1p5x h MET 127 CO -0.68 0.72 -0.17 0.45 1.06 0.00 0.00 176.91 178.29 1p5x h HIS 128 N 0.72 0.00 -0.01 -0.22 3.86 -0.86 -0.53 115.15 118.10 1p5x h HIS 128 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1p5x h HIS 128 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1p5x h HIS 128 CO 0.02 0.17 -0.09 0.00 0.86 0.00 0.00 177.93 178.89 1p5x n ALA 129 N -2.18 2.74 -0.24 2.45 0.00 -0.84 -1.97 120.51 120.48 1p5x n ALA 129 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1p5x n ALA 129 Cb 0.44 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1p5x n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p5x n ALA 130 N 0.02 1.79 -3.62 0.00 0.00 -0.93 -4.23 120.51 113.55 1p5x n ALA 130 Ca 0.16 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.61 1p5x n ALA 130 Cb 0.37 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.89 1p5x n ALA 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p5x n ASN 131 N -0.29 -4.55 -4.26 0.00 5.03 -0.86 -4.96 115.26 105.37 1p5x n ASN 131 Ca 0.00 -0.63 -0.41 0.00 0.87 0.00 0.00 54.58 54.41 1p5x n ASN 131 Cb 0.25 -4.77 -0.09 0.00 -1.02 0.00 0.00 39.78 34.15 1p5x n ASN 131 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1p5x s PHE 132 N -3.36 3.35 0.43 3.10 2.19 -0.26 -4.92 117.98 118.51 1p5x s PHE 132 Ca 0.40 -1.57 0.03 0.00 0.33 0.00 0.00 56.93 56.12 1p5x s PHE 132 Cb -0.18 -3.17 0.08 0.00 -1.31 0.00 0.00 43.02 38.44 1p5x s PHE 132 CO 0.76 -0.89 0.59 0.25 1.83 0.00 0.00 175.22 177.76 1p5x n THR 133 N 4.95 0.00 1.03 0.12 -2.24 -1.26 -4.55 114.28 112.33 1p5x n THR 133 Ca -0.10 -1.14 0.10 0.00 -2.27 0.00 0.00 64.05 60.65 1p5x n THR 133 Cb 0.42 -0.89 0.54 0.00 -2.10 0.00 0.00 70.33 68.30 1p5x n THR 133 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p5x n ASN 134 N -2.76 0.00 -0.23 3.42 4.05 -1.26 -1.94 115.26 116.54 1p5x n ASN 134 Ca 0.11 -0.10 0.08 0.00 0.45 0.00 0.00 54.58 55.11 1p5x n ASN 134 Cb 0.39 -0.24 -0.04 0.00 1.23 0.00 0.00 39.78 41.12 1p5x n ASN 134 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1p5x n LEU 135 N -1.24 1.30 -4.82 1.20 4.77 -1.26 -1.39 117.00 115.55 1p5x n LEU 135 Ca 0.11 -0.66 -0.33 0.00 -0.03 0.00 0.00 56.01 55.10 1p5x n LEU 135 Cb 0.15 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1p5x n LEU 135 CO 0.15 0.27 0.70 -0.44 -1.33 0.00 0.00 177.39 176.74 1p5x s SER 136 N -2.19 6.25 0.02 -1.43 0.01 -0.82 -4.65 113.70 110.89 1p5x s SER 136 Ca 0.11 1.71 -0.30 0.00 1.31 0.00 0.00 55.95 58.78 1p5x s SER 136 Cb 0.13 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 1p5x s SER 136 CO 0.52 -0.85 1.19 -0.47 0.41 0.00 0.00 173.24 174.04 1p5x s TYR 137 N -2.48 3.37 -0.09 2.43 5.04 -1.26 -1.34 117.35 123.02 1p5x s TYR 137 Ca 0.62 1.29 -0.30 0.00 -2.44 0.00 0.00 57.07 56.24 1p5x s TYR 137 Cb -0.13 -3.41 -0.02 0.00 0.35 0.00 0.00 41.96 38.75 1p5x s TYR 137 CO 0.32 -1.24 1.03 -2.14 -1.34 0.00 0.00 175.55 172.18 1p5x s PRO 138 N 1.41 4.42 0.32 4.97 0.02 -1.26 -5.08 135.00 139.80 1p5x s PRO 138 Ca 0.58 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.73 1p5x s PRO 138 Cb -0.28 -3.54 -0.11 0.00 0.02 0.00 0.00 34.50 30.60 1p5x s PRO 138 CO 0.27 -0.31 1.52 1.14 -0.33 0.00 0.00 177.00 179.29 1p5x s GLN 139 N 1.97 4.15 0.00 5.54 1.03 -0.45 -2.20 119.66 129.70 1p5x s GLN 139 Ca 0.49 2.52 0.00 0.00 0.04 0.00 0.00 55.36 58.42 1p5x s GLN 139 Cb -0.19 -3.02 0.00 0.00 0.03 0.00 0.00 33.01 29.83 1p5x s GLN 139 CO 0.19 -0.55 0.00 0.41 -2.54 0.00 0.00 175.29 172.81 1p5x n GLY 140 N 1.48 2.81 0.33 2.60 0.00 -0.49 -4.93 105.19 107.00 1p5x n GLY 140 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1p5x n GLY 140 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p5x h PHE 141 N 0.00 1.07 0.00 1.61 3.57 -1.71 -2.59 116.94 118.90 1p5x h PHE 141 Ca 0.00 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.45 1p5x h PHE 141 Cb 0.00 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1p5x h PHE 141 CO 0.00 0.81 -0.10 1.25 -2.23 0.00 0.00 178.31 178.04 1p5x h HIS 142 N 1.04 -0.26 -0.39 0.41 2.76 -1.81 0.67 115.15 117.58 1p5x h HIS 142 Ca 0.24 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.29 1p5x h HIS 142 Cb 0.18 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1p5x h HIS 142 CO 0.02 -0.16 -0.28 0.66 -1.30 0.00 0.00 177.93 176.87 1p5x h SER 143 N -0.18 0.86 0.20 3.26 4.64 -1.91 -2.31 113.55 118.12 1p5x h SER 143 Ca 0.04 -0.34 -0.10 0.00 -0.47 0.00 0.00 61.79 60.91 1p5x h SER 143 Cb 0.22 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1p5x h SER 143 CO -0.10 1.08 -0.39 0.11 -0.87 0.00 0.00 176.83 176.67 1p5x h LYS 144 N 0.71 0.25 0.08 4.77 1.57 -1.28 -0.73 116.57 121.93 1p5x h LYS 144 Ca 0.08 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1p5x h LYS 144 Cb 0.82 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1p5x h LYS 144 CO 0.07 0.60 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.60 1p5x h TYR 145 N 0.21 -0.09 0.00 -1.35 3.20 -0.71 -1.11 116.97 117.12 1p5x h TYR 145 Ca 0.02 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1p5x h TYR 145 Cb 0.78 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1p5x h TYR 145 CO 0.01 0.15 -0.13 0.93 -1.64 0.00 0.00 178.16 177.49 1p5x h GLU 146 N -0.34 0.00 -0.31 1.82 5.08 -1.21 -0.59 114.58 119.03 1p5x h GLU 146 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1p5x h GLU 146 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1p5x h GLU 146 CO 0.02 0.13 -0.14 -0.91 -1.00 0.00 0.00 179.01 177.10 1p5x h ASN 147 N 0.00 0.66 -0.73 1.42 -0.26 -0.91 -3.12 115.58 112.64 1p5x h ASN 147 Ca -0.00 -0.40 -0.04 0.00 -0.56 0.00 0.00 56.30 55.29 1p5x h ASN 147 Cb 0.23 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 1p5x h ASN 147 CO 0.02 0.91 0.28 0.15 -1.06 0.00 0.00 177.43 177.73 1p5x h PHE 148 N 0.40 1.12 -1.00 1.19 3.57 -0.36 -2.88 116.94 118.98 1p5x h PHE 148 Ca 0.07 -0.09 0.17 0.00 3.53 0.00 0.00 57.97 61.65 1p5x h PHE 148 Cb 0.66 -0.33 -0.10 0.00 2.79 0.00 0.00 35.95 38.97 1p5x h PHE 148 CO 0.06 0.86 0.61 0.28 -2.23 0.00 0.00 178.31 177.89 1p5x h VAL 149 N 1.05 0.76 0.00 1.41 2.07 -1.08 0.13 116.25 120.59 1p5x h VAL 149 Ca 0.24 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1p5x h VAL 149 Cb 0.23 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1p5x h VAL 149 CO -0.02 0.15 -0.03 0.44 0.02 0.00 0.00 177.57 178.13 1p5x h ASP 150 N 0.82 0.00 1.77 0.57 3.32 -1.50 0.26 116.42 121.66 1p5x h ASP 150 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 1p5x h ASP 150 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1p5x h ASP 150 CO -0.35 0.03 0.00 0.71 -1.72 0.00 0.00 179.24 177.91 1p5x h THR 151 N 0.00 0.00 0.00 0.35 1.35 -1.06 -3.36 112.91 110.19 1p5x h THR 151 Ca -0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1p5x h THR 151 Cb 0.06 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1p5x h THR 151 CO 0.00 0.00 0.00 2.30 -0.25 0.00 0.00 175.52 177.57 1p5x n ILE 152 N -2.98 0.00 -0.33 6.82 -5.35 -0.80 -4.81 119.36 111.91 1p5x n ILE 152 Ca 0.04 -0.45 0.16 0.00 -0.27 0.00 0.00 62.75 62.22 1p5x n ILE 152 Cb 0.48 1.02 0.38 0.00 -1.74 0.00 0.00 39.64 39.78 1p5x n ILE 152 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1p5x h LYS 153 N 0.00 0.63 0.00 6.28 2.10 -1.12 -1.50 116.57 122.95 1p5x h LYS 153 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1p5x h LYS 153 Cb 0.01 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 1p5x h LYS 153 CO 0.00 0.42 0.01 -0.44 -2.00 0.00 0.00 179.45 177.44 1p5x h ASP 154 N 0.65 0.00 0.42 7.07 3.32 -1.87 -0.84 116.42 125.17 1p5x h ASP 154 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1p5x h ASP 154 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1p5x h ASP 154 CO -0.35 0.00 -0.08 0.59 -1.72 0.00 0.00 179.24 177.69 1p5x n ASN 155 N -2.32 0.31 -2.26 6.45 3.02 -0.57 -3.99 115.26 115.91 1p5x n ASN 155 Ca -0.02 -0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 53.90 1p5x n ASN 155 Cb 0.05 -0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1p5x n ASN 155 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1p5x n TYR 156 N -1.07 2.40 -2.63 3.10 4.01 -0.32 -5.06 117.16 117.60 1p5x n TYR 156 Ca 0.15 -2.27 -0.40 0.00 -0.16 0.00 0.00 57.90 55.22 1p5x n TYR 156 Cb 0.26 -0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 38.94 1p5x n TYR 156 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1p5x s LYS 157 N -3.64 4.70 -0.10 -0.72 1.02 -1.26 -4.40 119.74 115.35 1p5x s LYS 157 Ca 0.45 1.61 -0.25 0.00 0.02 0.00 0.00 55.97 57.79 1p5x s LYS 157 Cb 0.39 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1p5x s LYS 157 CO 0.01 0.33 0.81 0.08 -0.92 0.00 0.00 175.35 175.66 1p5x s VAL 158 N -1.24 4.94 -0.22 3.17 1.01 -1.26 -4.96 120.40 121.85 1p5x s VAL 158 Ca 0.44 1.64 0.15 0.00 0.00 0.00 0.00 61.98 64.21 1p5x s VAL 158 Cb -0.28 -4.14 0.56 0.00 0.00 0.00 0.00 36.38 32.52 1p5x s VAL 158 CO 0.35 0.14 1.48 0.35 0.00 0.00 0.00 175.10 177.42 1p5x n THR 159 N 4.20 2.42 -4.67 3.92 -2.24 -1.26 -4.84 114.28 111.80 1p5x n THR 159 Ca 0.03 -2.01 -0.30 0.00 -2.27 0.00 0.00 64.05 59.49 1p5x n THR 159 Cb 0.50 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.37 1p5x n THR 159 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1p5x s ASP 160 N -1.93 3.68 -0.37 3.42 1.47 -1.26 -5.05 116.67 116.63 1p5x s ASP 160 Ca 0.44 -1.65 0.08 0.00 1.18 0.00 0.00 52.55 52.60 1p5x s ASP 160 Cb 0.37 0.48 0.71 0.00 -0.34 0.00 0.00 42.92 44.13 1p5x s ASP 160 CO 0.08 -0.86 1.83 0.61 0.68 0.00 0.00 175.17 177.50 1p5x n GLY 161 N -1.13 4.03 3.35 2.12 0.00 -1.26 -4.61 105.19 107.69 1p5x n GLY 161 Ca -0.14 -1.05 -0.46 0.00 0.00 0.00 0.00 46.02 44.37 1p5x n GLY 161 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p5x s ASN 162 N -1.23 6.88 0.60 1.61 0.02 -1.26 -4.42 114.94 117.14 1p5x s ASN 162 Ca 0.55 -2.81 -0.04 0.00 -1.02 0.00 0.00 52.86 49.54 1p5x s ASN 162 Cb 0.45 -2.24 0.03 0.00 0.02 0.00 0.00 41.25 39.51 1p5x s ASN 162 CO 0.12 -0.58 0.89 -0.83 0.02 0.00 0.00 177.10 176.72 1p5x s GLY 163 N 2.18 1.66 -1.34 0.66 0.00 -1.26 -4.86 107.32 104.36 1p5x s GLY 163 Ca 0.23 -0.91 -0.14 0.00 0.00 0.00 0.00 44.72 43.91 1p5x s GLY 163 CO -0.09 -0.60 1.90 -1.72 0.00 0.00 0.00 173.10 172.60 1p5x n TYR 164 N -2.59 3.87 -1.92 1.90 4.01 -0.73 -4.88 117.16 116.82 1p5x n TYR 164 Ca 0.06 -2.96 -0.42 0.00 -0.16 0.00 0.00 57.90 54.43 1p5x n TYR 164 Cb 0.59 -2.37 -0.02 0.00 -0.31 0.00 0.00 39.34 37.23 1p5x n TYR 164 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1p5x s TRP 165 N 2.48 2.94 -1.39 -0.72 0.52 -1.26 -2.48 118.94 119.03 1p5x s TRP 165 Ca 0.46 0.87 -0.10 0.00 0.02 0.00 0.00 56.10 57.35 1p5x s TRP 165 Cb 0.08 -3.92 0.07 0.00 -1.15 0.00 0.00 33.47 28.55 1p5x s TRP 165 CO -0.01 -3.11 0.60 0.09 0.02 0.00 0.00 176.95 174.54 1p5x n ASN 166 N 2.58 -4.16 -0.09 2.95 5.03 -1.26 -4.86 115.26 115.44 1p5x n ASN 166 Ca 0.08 -0.48 -0.06 0.00 0.87 0.00 0.00 54.58 54.99 1p5x n ASN 166 Cb 0.39 -3.41 -0.00 0.00 -1.02 0.00 0.00 39.78 35.74 1p5x n ASN 166 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 1p5x h TRP 167 N -1.23 -0.12 -4.06 3.10 7.01 -1.85 -3.44 115.95 115.36 1p5x h TRP 167 Ca -0.48 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.39 1p5x h TRP 167 Cb 1.32 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 28.45 1p5x h TRP 167 CO 0.63 -0.11 -0.12 1.63 -2.79 0.00 0.00 178.44 177.68 1p5x n LYS 168 N -5.23 1.48 0.00 2.65 4.76 -1.26 -5.11 118.16 115.45 1p5x n LYS 168 Ca 0.00 -0.91 0.00 0.00 -2.87 0.00 0.00 58.31 54.54 1p5x n LYS 168 Cb 0.17 0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1p5x n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p5x n GLY 169 N 3.01 -3.20 0.02 0.72 0.00 -1.26 -4.90 105.19 99.58 1p5x n GLY 169 Ca -0.04 -1.07 0.11 0.00 0.00 0.00 0.00 46.02 45.02 1p5x n GLY 169 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p5x n THR 170 N -0.47 0.00 -2.73 2.61 -2.24 -1.26 -4.85 114.28 105.34 1p5x n THR 170 Ca 0.00 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1p5x n THR 170 Cb 0.00 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 1p5x n THR 170 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1p5x s ASN 171 N -2.97 6.83 0.49 3.42 3.04 -1.26 -4.92 114.94 119.56 1p5x s ASN 171 Ca 0.10 0.88 0.22 0.00 0.04 0.00 0.00 52.86 54.10 1p5x s ASN 171 Cb 0.17 -2.50 1.26 0.00 -1.54 0.00 0.00 41.25 38.64 1p5x s ASN 171 CO 0.79 -0.82 1.96 1.55 -3.04 0.00 0.00 177.10 177.54 1p5x h PRO 172 N 8.17 0.16 -0.82 0.43 0.13 -1.95 -0.97 132.00 137.15 1p5x h PRO 172 Ca -0.22 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1p5x h PRO 172 Cb 1.07 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.11 1p5x h PRO 172 CO 0.99 0.11 0.53 0.93 -0.23 0.00 0.00 178.00 180.33 1p5x h GLU 173 N 0.17 0.74 -0.39 0.86 5.08 -1.91 -1.39 114.58 117.73 1p5x h GLU 173 Ca 0.30 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1p5x h GLU 173 Cb 0.96 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1p5x h GLU 173 CO -0.05 0.49 0.01 0.93 -1.00 0.00 0.00 179.01 179.39 1p5x h GLU 174 N 0.76 0.62 -0.15 2.33 5.08 -1.58 -1.10 114.58 120.55 1p5x h GLU 174 Ca 0.38 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1p5x h GLU 174 Cb 0.45 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1p5x h GLU 174 CO -0.15 0.63 -0.21 -1.49 -1.00 0.00 0.00 179.01 176.79 1p5x h TRP 175 N 0.59 0.50 -0.37 4.33 4.06 -1.33 0.32 115.95 124.05 1p5x h TRP 175 Ca 0.12 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1p5x h TRP 175 Cb 0.36 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 1p5x h TRP 175 CO 0.01 0.83 0.20 0.82 -3.56 0.00 0.00 178.44 176.74 1p5x h ILE 176 N 0.03 1.15 -0.17 1.49 2.04 -1.28 0.46 117.51 121.22 1p5x h ILE 176 Ca 0.02 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1p5x h ILE 176 Cb 0.77 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1p5x h ILE 176 CO 0.05 0.16 0.07 -0.74 0.00 0.00 0.00 178.15 177.69 1p5x h HIS 177 N 0.47 0.25 -0.84 1.37 2.76 -1.22 -1.57 115.15 116.37 1p5x h HIS 177 Ca 0.13 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1p5x h HIS 177 Cb 0.07 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 1p5x h HIS 177 CO -0.02 0.31 0.51 0.78 -1.30 0.00 0.00 177.93 178.21 1p5x h GLY 178 N 0.12 1.26 0.97 5.26 0.00 -0.68 -0.30 103.07 109.70 1p5x h GLY 178 Ca 0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1p5x h GLY 178 CO -0.01 0.25 0.14 0.00 0.00 0.00 0.00 176.54 176.92 1p5x h ALA 179 N 1.40 0.65 -0.87 3.60 0.00 -0.71 -2.83 119.26 120.50 1p5x h ALA 179 Ca 0.37 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1p5x h ALA 179 Cb 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1p5x h ALA 179 CO -0.18 0.32 0.54 0.00 0.00 0.00 0.00 179.25 179.93 1p5x h ALA 180 N 1.00 1.11 -0.50 0.00 0.00 -0.53 -1.05 119.26 119.30 1p5x h ALA 180 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1p5x h ALA 180 Cb 0.30 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1p5x h ALA 180 CO -0.00 0.56 0.28 0.28 0.00 0.00 0.00 179.25 180.37 1p5x h VAL 181 N 1.20 1.01 -0.44 0.00 2.07 -0.86 0.63 116.25 119.86 1p5x h VAL 181 Ca 0.32 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 1p5x h VAL 181 Cb -0.07 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1p5x h VAL 181 CO -0.06 0.10 -0.16 0.58 0.02 0.00 0.00 177.57 178.05 1p5x h VAL 182 N 0.55 1.27 -0.20 2.57 2.07 -1.25 -2.89 116.25 118.37 1p5x h VAL 182 Ca 0.21 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1p5x h VAL 182 Cb 0.07 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1p5x h VAL 182 CO -0.12 0.44 0.07 0.00 0.02 0.00 0.00 177.57 177.98 1p5x h ALA 183 N 0.85 0.26 0.00 1.67 0.00 -0.82 -2.85 119.26 118.37 1p5x h ALA 183 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1p5x h ALA 183 Cb 0.71 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1p5x h ALA 183 CO 0.05 -0.13 -0.06 -0.22 0.00 0.00 0.00 179.25 178.89 1p5x h LYS 184 N 0.16 0.00 -0.59 0.00 3.64 -0.89 -1.05 116.57 117.84 1p5x h LYS 184 Ca 0.07 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1p5x h LYS 184 Cb 0.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1p5x h LYS 184 CO -0.00 0.06 0.11 1.96 -2.27 0.00 0.00 179.45 179.31 1p5x h GLN 185 N 0.00 0.94 -0.04 1.90 4.20 -1.28 -2.40 115.11 118.42 1p5x h GLN 185 Ca -0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1p5x h GLN 185 Cb 0.11 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1p5x h GLN 185 CO 0.01 0.86 0.00 -0.25 -0.67 0.00 0.00 178.83 178.78 1p5x n ASP 186 N -4.24 0.48 0.00 1.46 8.00 -0.42 -4.32 116.55 117.51 1p5x n ASP 186 Ca 0.04 -1.45 -0.09 0.00 0.71 0.00 0.00 54.79 53.99 1p5x n ASP 186 Cb 0.26 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1p5x n ASP 186 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1p5x h TYR 187 N 0.66 -0.36 -0.08 1.24 3.20 -1.14 -2.45 116.97 118.04 1p5x h TYR 187 Ca 0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1p5x h TYR 187 Cb 0.14 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1p5x h TYR 187 CO 0.03 -0.21 0.12 0.66 -1.64 0.00 0.00 178.16 177.11 1p5x h SER 188 N -0.18 0.00 0.33 -2.11 4.64 -1.77 0.32 113.55 114.77 1p5x h SER 188 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1p5x h SER 188 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1p5x h SER 188 CO -0.22 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.35 1p5x n GLY 189 N -1.30 -0.91 0.64 -0.77 0.00 -0.92 -3.90 105.19 98.03 1p5x n GLY 189 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1p5x n GLY 189 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p5x n ILE 190 N -1.25 0.00 -3.80 -0.61 5.41 0.01 -4.63 119.36 114.48 1p5x n ILE 190 Ca 0.10 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.49 1p5x n ILE 190 Cb 0.15 -0.94 -0.12 0.00 -0.71 0.00 0.00 39.64 38.02 1p5x n ILE 190 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1p5x s VAL 191 N -1.93 3.40 0.35 1.39 1.01 -0.62 -4.76 120.40 119.23 1p5x s VAL 191 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 61.98 60.43 1p5x s VAL 191 Cb 0.00 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1p5x s VAL 191 CO 0.00 -0.32 0.55 0.54 0.00 0.00 0.00 175.10 175.88 1p5x s ASN 192 N 1.52 0.68 0.39 3.32 4.22 -1.26 -4.42 114.94 119.39 1p5x s ASN 192 Ca 0.00 -1.39 0.08 0.00 -2.14 0.00 0.00 52.86 49.41 1p5x s ASN 192 Cb -0.21 0.71 0.84 0.00 1.28 0.00 0.00 41.25 43.87 1p5x s ASN 192 CO -0.01 -1.39 2.01 0.44 -2.04 0.00 0.00 177.10 176.11 1p5x h ASP 193 N 2.08 0.53 0.66 3.54 3.32 -1.97 -1.28 116.42 123.31 1p5x h ASP 193 Ca -0.29 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1p5x h ASP 193 Cb 1.24 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.68 1p5x h ASP 193 CO 0.39 0.36 -0.32 0.78 -1.72 0.00 0.00 179.24 178.73 1p5x h ASN 194 N 0.62 -0.75 -0.64 6.45 -0.26 -1.98 0.01 115.58 119.03 1p5x h ASN 194 Ca 0.23 0.03 0.05 0.00 -0.56 0.00 0.00 56.30 56.05 1p5x h ASN 194 Cb 0.16 0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.58 1p5x h ASN 194 CO -0.06 -0.41 0.42 0.71 -1.06 0.00 0.00 177.43 177.03 1p5x h THR 195 N -1.14 1.04 -0.07 2.81 1.35 -1.84 0.90 112.91 115.96 1p5x h THR 195 Ca -0.09 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 1p5x h THR 195 Cb 0.68 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1p5x h THR 195 CO 0.15 0.13 0.02 0.11 -0.25 0.00 0.00 175.52 175.67 1p5x h LYS 196 N 0.69 0.11 -0.14 4.72 1.57 -1.23 -0.44 116.57 121.84 1p5x h LYS 196 Ca 0.27 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1p5x h LYS 196 Cb 0.19 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1p5x h LYS 196 CO -0.08 0.29 -0.02 0.22 -0.57 0.00 0.00 179.45 179.29 1p5x h ASP 197 N -0.10 -0.11 -0.33 0.86 3.58 0.12 -2.28 116.42 118.16 1p5x h ASP 197 Ca 0.02 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 1p5x h ASP 197 Cb 0.23 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1p5x h ASP 197 CO -0.00 -0.03 -0.15 -0.50 -2.88 0.00 0.00 179.24 175.68 1p5x h TRP 198 N 0.02 0.87 -0.60 0.28 6.55 -0.84 -2.08 115.95 120.15 1p5x h TRP 198 Ca 0.07 -0.17 -0.03 0.00 0.95 0.00 0.00 58.89 59.71 1p5x h TRP 198 Cb 0.10 -0.22 -0.03 0.00 -0.86 0.00 0.00 29.16 28.15 1p5x h TRP 198 CO -0.17 0.88 0.26 0.35 -1.05 0.00 0.00 178.44 178.71 1p5x h PHE 199 N 0.70 0.86 -0.13 0.49 3.57 -0.86 0.36 116.94 121.92 1p5x h PHE 199 Ca 0.11 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1p5x h PHE 199 Cb 0.64 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1p5x h PHE 199 CO 0.03 0.65 -0.08 0.28 -2.23 0.00 0.00 178.31 176.96 1p5x h VAL 200 N 0.85 1.33 0.00 1.41 2.07 -1.19 -2.98 116.25 117.74 1p5x h VAL 200 Ca 0.21 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1p5x h VAL 200 Cb 0.14 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1p5x h VAL 200 CO -0.02 0.34 0.00 0.29 0.02 0.00 0.00 177.57 178.20 1p5x n LYS 201 N -4.64 0.21 0.27 1.57 5.02 -0.80 -2.54 118.16 117.23 1p5x n LYS 201 Ca -0.06 0.38 0.17 0.00 -2.02 0.00 0.00 58.31 56.78 1p5x n LYS 201 Cb 0.31 -1.85 0.71 0.00 -0.02 0.00 0.00 35.03 34.18 1p5x n LYS 201 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p5x h ALA 202 N 2.32 1.00 0.00 7.82 0.00 -0.12 -1.26 119.26 129.02 1p5x h ALA 202 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1p5x h ALA 202 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1p5x h ALA 202 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 1p5x h ALA 203 N 2.03 1.70 0.00 0.00 0.00 -1.59 -3.25 119.26 118.15 1p5x h ALA 203 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1p5x h ALA 203 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1p5x h ALA 203 CO 0.00 0.15 -1.26 1.33 0.00 0.00 0.00 179.25 179.46 1p5x n VAL 204 N -4.25 0.16 -4.05 0.00 0.24 -1.06 -4.96 118.33 104.42 1p5x n VAL 204 Ca -0.03 -0.15 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 1p5x n VAL 204 Cb 0.19 -0.26 -0.15 0.00 -1.47 0.00 0.00 33.84 32.15 1p5x n VAL 204 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1p5x s SER 205 N -3.07 4.56 0.57 -1.34 0.15 -0.50 -4.96 113.70 109.11 1p5x s SER 205 Ca -0.02 -1.67 0.28 0.00 0.70 0.00 0.00 55.95 55.24 1p5x s SER 205 Cb 0.02 -1.57 1.50 0.00 -1.71 0.00 0.00 66.02 64.25 1p5x s SER 205 CO 0.19 -0.26 1.98 0.06 1.20 0.00 0.00 173.24 176.41 1p5x h GLN 206 N 7.71 0.00 -0.74 5.44 -0.00 -1.86 0.20 115.11 125.87 1p5x h GLN 206 Ca -0.14 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.55 1p5x h GLN 206 Cb 1.03 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.47 1p5x h GLN 206 CO 0.48 0.00 0.49 1.49 -0.00 0.00 0.00 178.83 181.29 1p5x h GLU 207 N 0.00 0.85 0.00 0.06 4.81 -1.92 -0.67 114.58 117.71 1p5x h GLU 207 Ca 0.21 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1p5x h GLU 207 Cb 0.99 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 1p5x h GLU 207 CO -0.00 0.56 -0.15 1.88 -0.73 0.00 0.00 179.01 180.57 1p5x h TYR 208 N 0.88 0.00 -0.36 0.92 0.05 -0.89 -2.78 116.97 114.78 1p5x h TYR 208 Ca 0.30 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.95 1p5x h TYR 208 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1p5x h TYR 208 CO -0.00 0.15 -0.30 0.00 -1.05 0.00 0.00 178.16 176.96 1p5x h ALA 209 N 1.85 0.79 -0.18 3.88 0.00 -0.99 -2.60 119.26 122.02 1p5x h ALA 209 Ca -0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 1p5x h ALA 209 Cb 1.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1p5x h ALA 209 CO 0.02 0.65 -0.52 -0.44 0.00 0.00 0.00 179.25 178.96 1p5x h ASP 210 N 0.66 0.58 -0.16 0.00 3.32 -1.32 -2.86 116.42 116.62 1p5x h ASP 210 Ca 0.08 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1p5x h ASP 210 Cb 0.83 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1p5x h ASP 210 CO 0.07 0.99 0.07 0.11 -1.72 0.00 0.00 179.24 178.76 1p5x h LYS 211 N 0.41 0.24 -0.06 3.56 1.57 -1.21 -0.83 116.57 120.25 1p5x h LYS 211 Ca 0.01 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1p5x h LYS 211 Cb 1.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1p5x h LYS 211 CO 0.10 0.31 -0.67 0.11 -0.57 0.00 0.00 179.45 178.72 1p5x h TRP 212 N 0.12 0.33 -0.43 -1.35 5.08 -1.54 -1.67 115.95 116.49 1p5x h TRP 212 Ca 0.06 -0.14 -0.01 0.00 1.08 0.00 0.00 58.89 59.88 1p5x h TRP 212 Cb 0.15 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 26.24 1p5x h TRP 212 CO -0.02 0.85 0.24 0.00 -1.28 0.00 0.00 178.44 178.23 1p5x h ARG 213 N 0.18 0.59 -0.46 0.12 3.08 -1.40 -2.05 114.38 114.45 1p5x h ARG 213 Ca -0.02 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 1p5x h ARG 213 Cb 1.21 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1p5x h ARG 213 CO 0.11 0.47 -0.21 0.00 -1.07 0.00 0.00 179.97 179.27 1p5x h ALA 214 N 1.09 0.76 -0.72 0.04 0.00 -1.09 -3.08 119.26 116.26 1p5x h ALA 214 Ca 0.15 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1p5x h ALA 214 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1p5x h ALA 214 CO -0.02 0.66 0.47 1.49 0.00 0.00 0.00 179.25 181.85 1p5x h GLU 215 N 0.80 0.94 -0.03 0.00 4.57 -0.94 -2.84 114.58 117.09 1p5x h GLU 215 Ca 0.11 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1p5x h GLU 215 Cb 0.77 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1p5x h GLU 215 CO 0.06 0.63 0.00 1.33 -1.18 0.00 0.00 179.01 179.85 1p5x n VAL 216 N -4.42 0.01 -0.02 0.32 0.24 -0.80 -4.47 118.33 109.19 1p5x n VAL 216 Ca 0.08 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1p5x n VAL 216 Cb 0.04 0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 33.14 1p5x n VAL 216 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1p5x h THR 217 N 3.12 1.28 -0.01 3.34 2.02 -1.41 -2.16 112.91 119.09 1p5x h THR 217 Ca 0.00 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.33 1p5x h THR 217 Cb 0.66 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 1p5x h THR 217 CO 0.00 0.24 -0.34 -0.65 0.37 0.00 0.00 175.52 175.15 1p5x h PRO 218 N -0.22 -0.47 -0.37 6.66 0.11 -1.78 0.36 132.00 136.29 1p5x h PRO 218 Ca 0.02 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 1p5x h PRO 218 Cb 0.39 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1p5x h PRO 218 CO 0.01 -0.31 0.10 1.98 -0.21 0.00 0.00 178.00 179.57 1p5x h MET 219 N -0.49 0.54 -0.50 1.05 4.05 -1.85 -2.16 114.93 115.57 1p5x h MET 219 Ca 0.06 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1p5x h MET 219 Cb 0.58 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 1p5x h MET 219 CO -0.28 0.49 0.23 1.15 0.23 0.00 0.00 176.91 178.72 1p5x h THR 220 N 0.53 1.20 -0.72 -0.77 2.02 -0.68 -0.63 112.91 113.86 1p5x h THR 220 Ca 0.13 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1p5x h THR 220 Cb 0.18 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1p5x h THR 220 CO -0.01 0.23 0.43 1.23 0.37 0.00 0.00 175.52 177.77 1p5x h GLY 221 N 0.67 1.05 0.97 2.16 0.00 -0.35 -0.94 103.07 106.63 1p5x h GLY 221 Ca 0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1p5x h GLY 221 CO -0.02 0.43 0.17 1.70 0.00 0.00 0.00 176.54 178.82 1p5x h LYS 222 N 0.99 0.77 -0.41 4.80 3.11 -1.10 -1.90 116.57 122.83 1p5x h LYS 222 Ca 0.26 -0.16 -0.03 0.00 -2.81 0.00 0.00 60.65 57.91 1p5x h LYS 222 Cb -0.03 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.07 1p5x h LYS 222 CO -0.05 0.71 0.16 0.00 -2.81 0.00 0.00 179.45 177.46 1p5x h ARG 223 N 0.68 0.61 -0.82 1.90 2.47 -0.79 -1.73 114.38 116.70 1p5x h ARG 223 Ca 0.16 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1p5x h ARG 223 Cb 0.25 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.44 1p5x h ARG 223 CO -0.01 0.58 0.37 -0.07 0.56 0.00 0.00 179.97 181.41 1p5x h LEU 224 N 0.51 1.08 -0.46 3.04 3.38 -1.05 0.34 115.31 122.15 1p5x h LEU 224 Ca 0.13 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1p5x h LEU 224 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1p5x h LEU 224 CO -0.01 0.92 -0.04 0.24 0.09 0.00 0.00 178.44 179.64 1p5x h MET 225 N 1.17 0.85 -0.62 1.13 2.86 -1.17 -2.02 114.93 117.14 1p5x h MET 225 Ca 0.28 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1p5x h MET 225 Cb 0.14 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1p5x h MET 225 CO -0.03 0.92 0.20 -0.44 1.06 0.00 0.00 176.91 178.61 1p5x h ASP 226 N 0.69 0.89 -0.67 1.22 3.32 -1.02 -2.35 116.42 118.51 1p5x h ASP 226 Ca 0.13 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1p5x h ASP 226 Cb 0.56 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1p5x h ASP 226 CO 0.03 0.86 0.44 0.00 -1.72 0.00 0.00 179.24 178.85 1p5x h ALA 227 N 1.07 1.55 -0.08 3.45 0.00 -0.69 -0.11 119.26 124.45 1p5x h ALA 227 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1p5x h ALA 227 Cb 0.28 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1p5x h ALA 227 CO -0.01 0.40 -0.00 1.96 0.00 0.00 0.00 179.25 181.60 1p5x h GLN 228 N 0.88 0.15 -0.68 0.00 4.20 -1.02 -1.42 115.11 117.21 1p5x h GLN 228 Ca 0.25 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 1p5x h GLN 228 Cb -0.05 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1p5x h GLN 228 CO -0.06 0.42 0.26 0.00 -0.67 0.00 0.00 178.83 178.78 1p5x h ARG 229 N -0.15 1.02 -0.39 1.46 3.08 -0.95 -1.49 114.38 116.96 1p5x h ARG 229 Ca 0.02 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 1p5x h ARG 229 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1p5x h ARG 229 CO 0.00 0.85 -0.29 -0.24 -1.07 0.00 0.00 179.97 179.22 1p5x h VAL 230 N 0.96 1.28 -0.64 2.04 3.04 -1.04 -1.81 116.25 120.07 1p5x h VAL 230 Ca 0.22 -1.45 -0.08 0.00 -1.01 0.00 0.00 66.70 64.39 1p5x h VAL 230 Cb 0.22 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.76 1p5x h VAL 230 CO -0.02 0.48 0.08 0.74 -1.01 0.00 0.00 177.57 177.85 1p5x h THR 231 N 0.72 1.26 -0.27 3.17 2.02 -1.03 -0.56 112.91 118.23 1p5x h THR 231 Ca 0.08 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1p5x h THR 231 Cb 0.85 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1p5x h THR 231 CO 0.07 0.39 0.16 0.00 0.37 0.00 0.00 175.52 176.51 1p5x h ALA 232 N 1.08 0.34 -0.95 6.16 0.00 -1.16 -0.98 119.26 123.74 1p5x h ALA 232 Ca 0.19 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1p5x h ALA 232 Cb 0.46 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1p5x h ALA 232 CO 0.02 -0.16 0.63 0.78 0.00 0.00 0.00 179.25 180.52 1p5x h GLY 233 N 0.33 1.35 0.96 0.00 0.00 -1.11 -1.59 103.07 103.01 1p5x h GLY 233 Ca 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1p5x h GLY 233 CO -0.02 0.47 0.21 -1.82 0.00 0.00 0.00 176.54 175.38 1p5x h TYR 234 N 1.27 0.66 -0.41 5.60 3.20 -0.68 -0.70 116.97 125.92 1p5x h TYR 234 Ca 0.36 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 1p5x h TYR 234 Cb -0.11 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1p5x h TYR 234 CO -0.01 0.54 0.17 0.82 -1.64 0.00 0.00 178.16 178.05 1p5x h ILE 235 N 0.59 1.19 -0.73 1.81 2.04 -0.87 -1.44 117.51 120.11 1p5x h ILE 235 Ca 0.15 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1p5x h ILE 235 Cb 0.14 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1p5x h ILE 235 CO -0.02 0.22 0.45 -0.61 0.00 0.00 0.00 178.15 178.19 1p5x h GLN 236 N 0.52 0.84 -0.66 2.37 5.75 -1.03 -1.63 115.11 121.27 1p5x h GLN 236 Ca 0.14 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1p5x h GLN 236 Cb 0.18 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1p5x h GLN 236 CO -0.01 0.55 0.43 1.25 -2.65 0.00 0.00 178.83 178.40 1p5x h LEU 237 N 0.86 0.73 -0.08 -2.39 5.85 -0.81 -0.89 115.31 118.58 1p5x h LEU 237 Ca 0.30 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1p5x h LEU 237 Cb 0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1p5x h LEU 237 CO -0.13 0.53 -0.09 -0.25 -0.34 0.00 0.00 178.44 178.16 1p5x h TRP 238 N 0.87 -0.23 -0.71 1.25 7.01 -0.33 -0.03 115.95 123.77 1p5x h TRP 238 Ca 0.25 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.19 1p5x h TRP 238 Cb -0.08 0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 1p5x h TRP 238 CO -0.03 -0.14 0.19 0.74 -2.79 0.00 0.00 178.44 176.40 1p5x h PHE 239 N -0.12 1.18 0.00 2.65 0.04 -1.19 -0.36 116.94 119.13 1p5x h PHE 239 Ca 0.06 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1p5x h PHE 239 Cb 0.21 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.02 1p5x h PHE 239 CO -0.20 0.95 -0.16 -0.44 -0.60 0.00 0.00 178.31 177.87 1p5x h ASP 240 N 1.07 0.00 0.13 2.17 3.32 -0.82 0.61 116.42 122.90 1p5x h ASP 240 Ca 0.23 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.01 1p5x h ASP 240 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1p5x h ASP 240 CO -0.00 0.16 -1.34 0.74 -1.72 0.00 0.00 179.24 177.08 1p5x h THR 241 N 0.00 1.10 -0.01 0.35 2.02 -0.45 -3.41 112.91 112.52 1p5x h THR 241 Ca -0.00 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1p5x h THR 241 Cb 0.32 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1p5x h THR 241 CO 0.02 0.71 -0.27 -1.22 0.37 0.00 0.00 175.52 175.13 1p5x n TYR 242 N -3.93 0.00 1.00 3.16 4.01 -0.20 -4.54 117.16 116.66 1p5x n TYR 242 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1p5x n TYR 242 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 1p5x n TYR 242 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1p5x n GLY 243 N 1.00 0.62 1.65 2.72 0.00 0.21 -4.67 105.19 106.72 1p5x n GLY 243 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 1p5x n GLY 243 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p5x n ASP 244 N -0.06 -2.58 0.00 1.61 8.00 -1.26 -5.02 116.55 117.24 1p5x n ASP 244 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1p5x n ASP 244 Cb 0.14 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.81 1p5x n ASP 244 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70