#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwy s VAL 2 N 0.00 4.50 -0.11 2.03 -7.23 -1.26 -5.08 120.40 113.26 2jwy s VAL 2 Ca 0.00 1.28 -0.03 0.00 -1.81 0.00 0.00 61.98 61.41 2jwy s VAL 2 Cb 0.00 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 2jwy s VAL 2 CO 0.00 -0.29 0.02 -1.58 -0.31 0.00 0.00 175.10 172.94 2jwy s GLN 3 N -3.15 3.26 0.49 4.82 0.74 -1.26 -5.12 119.66 119.43 2jwy s GLN 3 Ca 0.59 -0.39 0.08 0.00 0.05 0.00 0.00 55.36 55.69 2jwy s GLN 3 Cb -0.09 -2.90 0.03 0.00 1.10 0.00 0.00 33.01 31.14 2jwy s GLN 3 CO 0.15 0.59 0.52 1.14 -0.55 0.00 0.00 175.29 177.14 2jwy s GLN 4 N -0.55 2.47 0.46 1.67 -2.07 -1.26 -5.08 119.66 115.31 2jwy s GLN 4 Ca 0.10 -1.62 -0.25 0.00 -1.82 0.00 0.00 55.36 51.77 2jwy s GLN 4 Cb -0.12 -2.45 -0.08 0.00 -1.09 0.00 0.00 33.01 29.27 2jwy s GLN 4 CO 0.02 -0.47 1.36 -1.13 -1.32 0.00 0.00 175.29 173.75 2jwy n SER 5 N -1.83 2.90 -4.37 12.60 3.41 -1.26 -4.96 113.62 120.12 2jwy n SER 5 Ca 0.06 1.08 -0.45 0.00 -0.26 0.00 0.00 58.87 59.31 2jwy n SER 5 Cb 0.62 -1.56 -0.04 0.00 -0.26 0.00 0.00 64.21 62.97 2jwy n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jwy s GLU 6 N -2.46 3.15 0.01 4.33 0.41 -1.26 -5.03 118.70 117.84 2jwy s GLU 6 Ca 0.63 -1.52 0.02 0.00 -0.41 0.00 0.00 54.97 53.69 2jwy s GLU 6 Cb -0.46 -4.35 -0.01 0.00 -1.78 0.00 0.00 34.13 27.54 2jwy s GLU 6 CO 0.56 -1.52 -0.07 0.14 -0.49 0.00 0.00 175.26 173.88 2jwy s VAL 7 N 2.32 0.52 -0.15 2.63 -7.23 -1.26 -5.14 120.40 112.08 2jwy s VAL 7 Ca 0.13 -0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 59.82 2jwy s VAL 7 Cb -0.21 -0.47 0.06 0.00 0.56 0.00 0.00 36.38 36.32 2jwy s VAL 7 CO 0.03 0.04 0.13 -0.60 -0.31 0.00 0.00 175.10 174.38 2jwy s ARG 8 N -0.45 0.08 -0.14 4.82 3.00 -1.26 -5.12 118.95 119.87 2jwy s ARG 8 Ca 0.00 0.13 -0.29 0.00 -1.00 0.00 0.00 55.73 54.56 2jwy s ARG 8 Cb -0.04 -1.33 -0.04 0.00 0.00 0.00 0.00 34.95 33.54 2jwy s ARG 8 CO -0.00 -0.58 1.60 -0.65 0.00 0.00 0.00 175.30 175.67 2jwy s GLN 9 N 2.21 4.00 0.06 5.12 -0.21 -1.26 -5.00 119.66 124.58 2jwy s GLN 9 Ca 0.04 1.89 -0.11 0.00 0.02 0.00 0.00 55.36 57.20 2jwy s GLN 9 Cb -0.15 -3.99 -0.06 0.00 1.00 0.00 0.00 33.01 29.81 2jwy s GLN 9 CO -0.09 -1.05 0.39 1.41 -2.12 0.00 0.00 175.29 173.83 2jwy s MET 10 N 4.30 3.78 -0.17 2.91 1.75 -1.26 -5.09 119.30 125.52 2jwy s MET 10 Ca 0.71 0.21 -0.05 0.00 -1.25 0.00 0.00 55.69 55.30 2jwy s MET 10 Cb -0.28 -3.04 0.08 0.00 2.84 0.00 0.00 34.83 34.43 2jwy s MET 10 CO 0.28 0.59 0.33 0.21 -0.65 0.00 0.00 175.02 175.78 2jwy s LYS 11 N -1.74 0.24 0.29 4.11 2.47 -1.26 -5.17 119.74 118.67 2jwy s LYS 11 Ca 0.31 0.80 0.10 0.00 -1.56 0.00 0.00 55.97 55.62 2jwy s LYS 11 Cb -0.14 -0.02 -0.05 0.00 -1.46 0.00 0.00 37.83 36.16 2jwy s LYS 11 CO 0.17 -0.34 -0.04 -3.38 0.16 0.00 0.00 175.35 171.93 2jwy s HIS 12 N 2.50 2.58 0.14 4.03 -3.43 -1.26 -5.16 115.29 114.70 2jwy s HIS 12 Ca 0.02 -0.29 0.02 0.00 -0.80 0.00 0.00 55.06 54.01 2jwy s HIS 12 Cb -0.13 -1.22 0.02 0.00 -1.43 0.00 0.00 32.58 29.82 2jwy s HIS 12 CO -0.11 0.60 0.17 0.45 -2.00 0.00 0.00 174.74 173.85 2jwy n SER 13 N -0.86 0.83 -3.77 7.38 2.88 -1.26 -5.16 113.62 113.66 2jwy n SER 13 Ca -0.06 -1.42 -0.13 0.00 -1.33 0.00 0.00 58.87 55.94 2jwy n SER 13 Cb 0.60 -0.08 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 2jwy n SER 13 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jwy s VAL 14 N -0.16 -0.00 -0.00 2.46 0.11 -1.26 -5.17 120.40 116.37 2jwy s VAL 14 Ca 0.13 0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 2jwy s VAL 14 Cb -0.01 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 2jwy s VAL 14 CO 0.08 0.01 -0.14 -0.44 -3.33 0.00 0.00 175.10 171.27 2jwy s SER 15 N 0.27 1.70 0.39 3.54 0.01 -1.26 -5.16 113.70 113.19 2jwy s SER 15 Ca -0.01 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.04 2jwy s SER 15 Cb -0.03 -0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.02 2jwy s SER 15 CO -0.01 0.16 0.49 0.42 0.41 0.00 0.00 173.24 174.72 2jwy s THR 16 N -0.40 3.27 0.21 1.44 -4.23 -1.26 -5.12 115.64 109.54 2jwy s THR 16 Ca 0.05 -1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 59.39 2jwy s THR 16 Cb -0.06 -3.12 -0.07 0.00 1.34 0.00 0.00 72.50 70.59 2jwy s THR 16 CO -0.00 -0.05 0.51 -0.76 -0.54 0.00 0.00 174.62 173.78 2jwy s LEU 17 N -4.24 4.20 -0.19 4.79 1.02 -1.26 -5.08 118.68 117.91 2jwy s LEU 17 Ca 0.50 0.87 -0.12 0.00 0.02 0.00 0.00 54.13 55.40 2jwy s LEU 17 Cb -0.09 -3.58 -0.05 0.00 0.02 0.00 0.00 46.19 42.50 2jwy s LEU 17 CO 0.31 -0.04 0.21 0.20 0.02 0.00 0.00 176.35 177.06 2jwy s ASN 18 N -2.33 6.30 0.42 2.29 -0.87 -1.26 -5.10 114.94 114.39 2jwy s ASN 18 Ca 0.45 0.34 0.01 0.00 -1.57 0.00 0.00 52.86 52.09 2jwy s ASN 18 Cb -0.12 -2.14 -0.01 0.00 -0.02 0.00 0.00 41.25 38.97 2jwy s ASN 18 CO 0.22 0.12 0.63 0.00 -2.57 0.00 0.00 177.10 175.49 2jwy s GLN 19 N 0.56 3.15 0.49 -0.60 -2.07 -1.26 -5.09 119.66 114.85 2jwy s GLN 19 Ca 0.12 -0.50 -0.21 0.00 -1.82 0.00 0.00 55.36 52.95 2jwy s GLN 19 Cb -0.12 -2.60 -0.08 0.00 -1.09 0.00 0.00 33.01 29.12 2jwy s GLN 19 CO 0.02 -0.16 1.08 -2.00 -1.32 0.00 0.00 175.29 172.91 2jwy s GLU 20 N -4.47 3.68 0.27 9.60 2.12 -1.26 -5.08 118.70 123.56 2jwy s GLU 20 Ca 0.46 1.51 0.11 0.00 0.36 0.00 0.00 54.97 57.41 2jwy s GLU 20 Cb -0.10 -2.14 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 2jwy s GLU 20 CO 0.37 -0.56 -0.14 -1.64 -0.54 0.00 0.00 175.26 172.75 2jwy s MET 21 N -3.12 1.88 0.49 4.30 -1.94 -1.26 -5.12 119.30 114.54 2jwy s MET 21 Ca 0.68 -1.65 -0.24 0.00 -1.71 0.00 0.00 55.69 52.77 2jwy s MET 21 Cb -0.21 -1.90 -0.07 0.00 2.01 0.00 0.00 34.83 34.67 2jwy s MET 21 CO 0.25 0.34 1.41 0.95 -0.01 0.00 0.00 175.02 177.96 2jwy s THR 22 N -2.44 2.03 -0.47 2.05 -4.23 -1.26 -4.82 115.64 106.50 2jwy s THR 22 Ca 0.30 0.02 -0.33 0.00 -1.18 0.00 0.00 61.69 60.51 2jwy s THR 22 Cb -0.05 -3.01 -0.12 0.00 1.34 0.00 0.00 72.50 70.65 2jwy s THR 22 CO 0.17 0.00 2.31 0.00 -0.54 0.00 0.00 174.62 176.56 2jwy n GLN 23 N -0.57 0.92 -2.37 3.99 6.02 -1.26 -4.92 117.38 119.19 2jwy n GLN 23 Ca 0.07 0.19 -0.27 0.00 -0.01 0.00 0.00 57.00 56.99 2jwy n GLN 23 Cb 0.43 -2.52 0.03 0.00 1.02 0.00 0.00 30.24 29.20 2jwy n GLN 23 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2jwy s LEU 24 N 8.54 3.21 0.11 1.08 2.96 -1.26 -5.00 118.68 128.33 2jwy s LEU 24 Ca 1.11 0.71 -0.36 0.00 -0.22 0.00 0.00 54.13 55.38 2jwy s LEU 24 Cb -0.78 -3.53 -0.16 0.00 0.50 0.00 0.00 46.19 42.22 2jwy s LEU 24 CO 0.44 -1.09 1.37 0.59 -1.32 0.00 0.00 176.35 176.34 2jwy n ASN 25 N -2.61 1.91 -0.33 3.68 4.13 -1.26 -4.72 115.26 116.07 2jwy n ASN 25 Ca 0.05 1.12 0.07 0.00 1.68 0.00 0.00 54.58 57.50 2jwy n ASN 25 Cb 0.58 -1.24 0.24 0.00 -1.54 0.00 0.00 39.78 37.81 2jwy n ASN 25 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2jwy h GLN 26 N 4.66 0.80 -0.14 3.52 1.08 -1.99 0.13 115.11 123.18 2jwy h GLN 26 Ca -0.47 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 56.70 2jwy h GLN 26 Cb 1.32 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.55 2jwy h GLN 26 CO 0.79 0.53 0.02 1.05 -0.95 0.00 0.00 178.83 180.27 2jwy h GLU 27 N 0.83 0.08 0.00 1.46 4.11 -1.90 -2.53 114.58 116.62 2jwy h GLU 27 Ca 0.49 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.85 2jwy h GLU 27 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2jwy h GLU 27 CO -0.31 0.05 -0.27 1.15 0.07 0.00 0.00 179.01 179.70 2jwy h THR 28 N 0.08 0.80 -0.17 -1.06 2.02 -1.31 -0.53 112.91 112.73 2jwy h THR 28 Ca 0.06 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 2jwy h THR 28 Cb 0.06 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2jwy h THR 28 CO -0.09 0.27 0.07 0.58 0.37 0.00 0.00 175.52 176.72 2jwy h VAL 29 N 0.00 1.15 -0.64 3.16 2.07 -0.55 0.15 116.25 121.60 2jwy h VAL 29 Ca -0.00 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2jwy h VAL 29 Cb 0.66 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2jwy h VAL 29 CO 0.04 0.15 0.11 0.11 0.02 0.00 0.00 177.57 177.99 2jwy h LYS 30 N 0.12 1.03 -0.39 1.57 6.56 -1.03 -1.28 116.57 123.15 2jwy h LYS 30 Ca 0.06 -0.26 0.02 0.00 -1.06 0.00 0.00 60.65 59.40 2jwy h LYS 30 Cb 0.17 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.67 2jwy h LYS 30 CO -0.00 0.95 0.23 0.82 -2.06 0.00 0.00 179.45 179.38 2jwy h ILE 31 N 0.97 1.04 -0.22 1.86 2.04 -0.94 0.15 117.51 122.41 2jwy h ILE 31 Ca 0.20 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.94 2jwy h ILE 31 Cb 0.41 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2jwy h ILE 31 CO 0.01 0.08 -0.01 0.74 0.00 0.00 0.00 178.15 178.97 2jwy h THR 32 N 0.46 0.82 -0.73 -0.27 2.02 -0.48 -0.56 112.91 114.19 2jwy h THR 32 Ca 0.16 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 67.41 2jwy h THR 32 Cb 0.01 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 2jwy h THR 32 CO -0.08 0.01 0.37 -0.61 0.37 0.00 0.00 175.52 175.59 2jwy h GLN 33 N 0.05 0.62 0.18 6.66 4.15 -0.87 -2.19 115.11 123.71 2jwy h GLN 33 Ca 0.11 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2jwy h GLN 33 Cb 0.14 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2jwy h GLN 33 CO -0.19 0.41 -0.09 0.37 -1.93 0.00 0.00 178.83 177.40 2jwy h GLN 34 N 0.64 -0.23 -0.97 1.69 4.15 -0.01 -2.34 115.11 118.03 2jwy h GLN 34 Ca 0.35 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.85 2jwy h GLN 34 Cb 0.35 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 2jwy h GLN 34 CO -0.26 -0.13 0.63 -0.91 -1.93 0.00 0.00 178.83 176.22 2jwy h ASN 35 N -0.27 1.01 -0.16 -0.69 2.35 -0.85 0.28 115.58 117.24 2jwy h ASN 35 Ca -0.02 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2jwy h ASN 35 Cb 0.21 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2jwy h ASN 35 CO 0.04 0.65 0.03 0.03 -1.65 0.00 0.00 177.43 176.53 2jwy h ARG 36 N 1.15 0.26 -0.62 0.81 3.08 -1.28 -1.15 114.38 116.63 2jwy h ARG 36 Ca 0.42 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.31 2jwy h ARG 36 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2jwy h ARG 36 CO -0.17 0.43 0.06 -0.07 -1.07 0.00 0.00 179.97 179.15 2jwy h LEU 37 N 0.06 1.01 -1.17 3.04 3.38 -1.13 -1.89 115.31 118.60 2jwy h LEU 37 Ca 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2jwy h LEU 37 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2jwy h LEU 37 CO 0.00 1.03 0.53 -1.13 0.09 0.00 0.00 178.44 178.96 2jwy h ASN 38 N 0.97 0.95 1.31 -0.43 -0.73 -0.29 -2.24 115.58 115.12 2jwy h ASN 38 Ca 0.19 -0.03 -0.13 0.00 1.87 0.00 0.00 56.30 58.19 2jwy h ASN 38 Cb 0.48 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 2jwy h ASN 38 CO 0.02 0.70 -0.71 0.00 -0.37 0.00 0.00 177.43 177.07 2jwy h ALA 39 N 1.47 0.63 -0.04 1.57 0.00 -1.08 -3.27 119.26 118.54 2jwy h ALA 39 Ca 0.30 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2jwy h ALA 39 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jwy h ALA 39 CO -0.06 0.76 -0.45 0.87 0.00 0.00 0.00 179.25 180.36 2jwy h LYS 40 N 0.00 0.09 -6.52 0.00 1.57 -0.78 -3.44 116.57 107.48 2jwy h LYS 40 Ca -0.03 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.18 2jwy h LYS 40 Cb 1.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.80 2jwy h LYS 40 CO 0.07 0.53 0.65 0.45 -0.57 0.00 0.00 179.45 180.57 2jwy s SER 41 N -6.89 6.94 0.14 0.86 0.15 -0.92 -4.92 113.70 109.06 2jwy s SER 41 Ca -0.03 2.19 0.26 0.00 0.70 0.00 0.00 55.95 59.07 2jwy s SER 41 Cb 0.14 -2.58 0.71 0.00 -1.71 0.00 0.00 66.02 62.57 2jwy s SER 41 CO 0.75 -0.56 1.64 -1.20 1.20 0.00 0.00 173.24 175.07 2jwy n SER 42 N 3.88 0.65 -3.15 5.45 7.64 -1.26 -4.74 113.62 122.10 2jwy n SER 42 Ca 0.10 0.38 0.04 0.00 1.01 0.00 0.00 58.87 60.40 2jwy n SER 42 Cb 0.44 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2jwy n SER 42 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jwy s SER 43 N -4.14 -1.51 0.00 6.43 0.15 -1.26 -5.14 113.70 108.24 2jwy s SER 43 Ca 0.10 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2jwy s SER 43 Cb 0.14 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.48 2jwy s SER 43 CO 0.63 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2jwy n GLY 44 N 5.41 3.32 3.80 9.45 0.00 -1.26 -4.82 105.19 121.09 2jwy n GLY 44 Ca 0.03 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 2jwy n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwy s VAL 45 N -0.76 4.82 -0.37 1.61 -7.23 -0.80 -4.76 120.40 112.91 2jwy s VAL 45 Ca 0.00 1.19 -0.21 0.00 -1.81 0.00 0.00 61.98 61.15 2jwy s VAL 45 Cb 0.00 -3.89 0.01 0.00 0.56 0.00 0.00 36.38 33.05 2jwy s VAL 45 CO 0.00 0.51 0.68 -0.31 -0.31 0.00 0.00 175.10 175.67 2jwy s TYR 46 N -0.80 3.13 -0.13 2.82 1.51 -1.26 -1.89 117.35 120.74 2jwy s TYR 46 Ca 0.29 0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 56.68 2jwy s TYR 46 Cb -0.19 -3.23 -0.03 0.00 -0.11 0.00 0.00 41.96 38.40 2jwy s TYR 46 CO 0.18 -0.68 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.40 2jwy s LEU 47 N 2.83 3.33 -0.17 -1.29 1.43 0.46 -4.64 118.68 120.62 2jwy s LEU 47 Ca 0.26 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2jwy s LEU 47 Cb -0.14 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2jwy s LEU 47 CO 0.16 0.24 -0.05 -0.76 0.23 0.00 0.00 176.35 176.17 2jwy s LEU 48 N -0.07 3.09 0.45 1.79 1.43 -1.26 -0.20 118.68 123.91 2jwy s LEU 48 Ca 0.02 -0.23 0.19 0.00 -1.03 0.00 0.00 54.13 53.08 2jwy s LEU 48 Cb -0.13 -1.75 1.15 0.00 0.03 0.00 0.00 46.19 45.48 2jwy s LEU 48 CO 0.02 0.11 1.91 -0.65 0.23 0.00 0.00 176.35 177.98 2jwy h PRO 49 N 7.13 0.31 -0.07 1.29 0.11 -1.85 0.48 132.00 139.41 2jwy h PRO 49 Ca -0.33 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.55 2jwy h PRO 49 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jwy h PRO 49 CO 0.61 0.20 -0.82 0.78 -0.21 0.00 0.00 178.00 178.56 2jwy h GLY 50 N 0.32 0.54 -6.77 -0.55 0.00 -1.89 -3.37 103.07 91.35 2jwy h GLY 50 Ca 0.38 -0.83 -0.77 0.00 0.00 0.00 0.00 47.33 46.11 2jwy h GLY 50 CO -0.10 0.74 1.57 0.00 0.00 0.00 0.00 176.54 178.75 2jwy n ALA 51 N -2.54 5.08 -1.71 3.60 0.00 0.16 -4.88 120.51 120.22 2jwy n ALA 51 Ca -0.06 -4.44 -0.28 0.00 0.00 0.00 0.00 53.44 48.66 2jwy n ALA 51 Cb 0.76 -2.82 -0.08 0.00 0.00 0.00 0.00 19.45 17.31 2jwy n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jwy n LYS 52 N 3.44 1.12 -3.90 0.00 5.02 -1.24 -4.36 118.16 118.24 2jwy n LYS 52 Ca 0.35 -2.10 -0.10 0.00 -2.02 0.00 0.00 58.31 54.44 2jwy n LYS 52 Cb 0.36 -3.58 -0.10 0.00 -0.02 0.00 0.00 35.03 31.69 2jwy n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jwy s THR 53 N 11.47 0.10 0.58 -0.18 -4.23 -1.26 -4.98 115.64 117.14 2jwy s THR 53 Ca 0.70 -0.83 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 2jwy s THR 53 Cb 0.02 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 2jwy s THR 53 CO 0.16 -0.45 1.11 -2.16 -0.54 0.00 0.00 174.62 172.74 2jwy s PRO 54 N -1.75 3.19 -0.00 3.99 0.04 -1.26 -4.55 135.00 134.67 2jwy s PRO 54 Ca -0.12 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.43 2jwy s PRO 54 Cb -0.06 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2jwy s PRO 54 CO -0.00 -0.96 -0.06 0.00 0.04 0.00 0.00 177.00 176.02 2jwy s ALA 55 N -2.03 0.48 0.01 8.56 0.00 0.57 -4.94 121.76 124.41 2jwy s ALA 55 Ca 0.70 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 2jwy s ALA 55 Cb -0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2jwy s ALA 55 CO 0.32 0.11 0.81 0.50 0.00 0.00 0.00 175.76 177.50 2jwy s ARG 56 N -0.24 4.51 -0.06 0.00 3.52 -1.26 -1.38 118.95 124.04 2jwy s ARG 56 Ca 0.01 1.12 0.02 0.00 -0.13 0.00 0.00 55.73 56.75 2jwy s ARG 56 Cb -0.03 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 2jwy s ARG 56 CO -0.00 0.14 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.36 2jwy s LEU 57 N 0.43 1.56 -0.33 -0.88 2.96 0.21 -4.84 118.68 117.79 2jwy s LEU 57 Ca 0.42 -0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 53.94 2jwy s LEU 57 Cb -0.20 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 2jwy s LEU 57 CO 0.23 0.01 0.27 -0.70 -1.32 0.00 0.00 176.35 174.84 2jwy s GLU 58 N 0.73 3.56 0.33 1.98 -6.30 -1.26 -0.88 118.70 116.86 2jwy s GLU 58 Ca -0.14 -0.55 0.06 0.00 -2.50 0.00 0.00 54.97 51.85 2jwy s GLU 58 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 34.13 30.16 2jwy s GLU 58 CO 0.03 -0.43 0.22 -1.13 0.02 0.00 0.00 175.26 173.97 2jwy n SER 59 N 5.17 -0.11 0.30 -1.70 3.41 -0.19 -4.92 113.62 115.58 2jwy n SER 59 Ca -0.12 -3.01 0.19 0.00 -0.26 0.00 0.00 58.87 55.67 2jwy n SER 59 Cb 0.50 1.37 0.89 0.00 -0.26 0.00 0.00 64.21 66.71 2jwy n SER 59 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jwy h GLN 60 N 0.00 0.00 0.00 4.33 4.20 -1.89 -1.15 115.11 120.59 2jwy h GLN 60 Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2jwy h GLN 60 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2jwy h GLN 60 CO 0.36 0.00 -0.99 0.44 -0.67 0.00 0.00 178.83 177.97 2jwy n ILE 61 N -3.10 0.50 0.00 2.54 -5.35 -1.25 -4.80 119.36 107.91 2jwy n ILE 61 Ca -0.01 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2jwy n ILE 61 Cb 0.22 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 2jwy n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jwy n GLY 62 N 1.23 0.88 3.46 3.28 0.00 -0.44 -4.94 105.19 108.67 2jwy n GLY 62 Ca 0.01 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 2jwy n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 63 N -2.08 4.95 0.36 2.61 2.01 -1.26 -1.02 115.64 121.21 2jwy s THR 63 Ca 0.00 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2jwy s THR 63 Cb 0.00 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.32 2jwy s THR 63 CO 0.00 -0.66 0.15 0.00 -0.69 0.00 0.00 174.62 173.42 2jwy n LEU 64 N 5.95 0.00 -3.35 4.42 -0.00 -0.06 -1.92 117.00 122.05 2jwy n LEU 64 Ca -0.06 -2.02 -0.10 0.00 -0.00 0.00 0.00 56.01 53.82 2jwy n LEU 64 Cb 0.46 0.10 -0.08 0.00 -0.00 0.00 0.00 43.42 43.90 2jwy n LEU 64 CO 0.51 -0.40 -0.07 -0.60 -0.00 0.00 0.00 177.39 176.84 2jwy s ARG 65 N -3.38 0.35 0.27 1.47 3.52 0.11 -0.62 118.95 120.68 2jwy s ARG 65 Ca 0.11 0.40 0.07 0.00 -0.13 0.00 0.00 55.73 56.18 2jwy s ARG 65 Cb -0.01 -0.49 -0.03 0.00 -1.56 0.00 0.00 34.95 32.86 2jwy s ARG 65 CO 0.07 -0.74 0.27 -1.64 -0.81 0.00 0.00 175.30 172.45 2jwy s MET 66 N 2.53 3.02 0.11 5.12 -1.94 -0.48 0.14 119.30 127.80 2jwy s MET 66 Ca 0.12 -1.03 -0.16 0.00 -1.71 0.00 0.00 55.69 52.91 2jwy s MET 66 Cb -0.15 -2.64 0.04 0.00 2.01 0.00 0.00 34.83 34.08 2jwy s MET 66 CO -0.19 0.33 0.40 0.45 -0.01 0.00 0.00 175.02 176.00 2jwy s SER 67 N -3.93 -0.24 -0.36 3.03 0.15 -0.85 -0.31 113.70 111.19 2jwy s SER 67 Ca 0.35 -0.25 -0.09 0.00 0.70 0.00 0.00 55.95 56.66 2jwy s SER 67 Cb -0.08 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2jwy s SER 67 CO 0.27 -0.81 0.17 -0.76 1.20 0.00 0.00 173.24 173.30 2jwy s LEU 68 N -2.64 4.57 0.25 3.45 1.43 -1.26 -2.77 118.68 121.71 2jwy s LEU 68 Ca 0.01 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.11 2jwy s LEU 68 Cb 0.01 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 2jwy s LEU 68 CO -0.10 -0.36 -0.01 0.68 0.23 0.00 0.00 176.35 176.79 2jwy s VAL 69 N 1.50 1.14 -1.76 -1.59 -7.23 -1.02 -4.78 120.40 106.66 2jwy s VAL 69 Ca 0.01 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 2jwy s VAL 69 Cb -0.19 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2jwy s VAL 69 CO 0.05 -0.29 0.00 0.59 -0.31 0.00 0.00 175.10 175.15 2jwy n ASN 70 N -0.47 -5.73 -4.59 4.85 3.02 -1.26 0.18 115.26 111.26 2jwy n ASN 70 Ca -0.05 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.12 2jwy n ASN 70 Cb 0.64 -4.80 -0.03 0.00 -0.61 0.00 0.00 39.78 34.98 2jwy n ASN 70 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwy s ILE 71 N -2.99 3.43 0.07 2.41 1.01 -1.26 -4.25 121.20 119.63 2jwy s ILE 71 Ca 0.00 0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.08 2jwy s ILE 71 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2jwy s ILE 71 CO 0.00 -0.50 -0.09 0.42 0.00 0.00 0.00 174.94 174.77 2jwy s THR 72 N 7.56 0.73 0.58 2.92 -4.23 0.09 -5.00 115.64 118.29 2jwy s THR 72 Ca 0.78 -1.39 -0.19 0.00 -1.18 0.00 0.00 61.69 59.70 2jwy s THR 72 Cb -0.20 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 2jwy s THR 72 CO 0.31 -0.49 1.17 -2.16 -0.54 0.00 0.00 174.62 172.90 2jwy s PRO 73 N -2.29 3.11 0.17 3.99 0.04 -1.26 -0.79 135.00 137.95 2jwy s PRO 73 Ca -0.01 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 2jwy s PRO 73 Cb -0.06 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2jwy s PRO 73 CO -0.00 -1.07 0.12 0.34 0.04 0.00 0.00 177.00 176.42 2jwy s ASP 74 N -1.72 0.21 0.11 6.66 2.15 -0.18 -4.65 116.67 119.25 2jwy s ASP 74 Ca 0.75 -1.25 -0.13 0.00 0.43 0.00 0.00 52.55 52.34 2jwy s ASP 74 Cb -0.27 0.35 -0.08 0.00 -0.30 0.00 0.00 42.92 42.62 2jwy s ASP 74 CO 0.31 -0.80 1.42 0.00 -0.17 0.00 0.00 175.17 175.93 2jwy h ALA 75 N 2.72 0.45 0.00 3.66 0.00 -1.97 -3.12 119.26 121.00 2jwy h ALA 75 Ca -0.35 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.00 2jwy h ALA 75 Cb 1.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jwy h ALA 75 CO 0.55 0.55 -0.54 -0.44 0.00 0.00 0.00 179.25 179.36 2jwy h ASP 76 N 0.55 0.00 0.00 0.00 5.19 -1.98 -3.49 116.42 116.70 2jwy h ASP 76 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2jwy h ASP 76 Cb 0.98 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.49 2jwy h ASP 76 CO 0.09 0.54 0.00 0.61 -3.12 0.00 0.00 179.24 177.36 2jwy n GLY 77 N 0.74 -1.63 3.09 2.75 0.00 -1.18 -0.90 105.19 108.06 2jwy n GLY 77 Ca 0.00 0.63 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 2jwy n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 78 N 0.00 -0.18 -0.18 2.61 2.01 0.12 -1.01 115.64 119.01 2jwy s THR 78 Ca 0.00 0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.11 2jwy s THR 78 Cb 0.00 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 2jwy s THR 78 CO 0.00 0.07 0.04 0.42 -0.69 0.00 0.00 174.62 174.47 2jwy s THR 79 N 1.70 4.61 0.03 -0.82 -4.23 0.03 -0.39 115.64 116.57 2jwy s THR 79 Ca -0.06 -0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 2jwy s THR 79 Cb -0.11 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 2jwy s THR 79 CO -0.10 0.47 0.01 -1.48 -0.54 0.00 0.00 174.62 172.98 2jwy s LEU 80 N 0.37 2.14 -0.46 4.79 0.05 0.07 -0.73 118.68 124.91 2jwy s LEU 80 Ca 0.02 -0.57 -0.22 0.00 0.05 0.00 0.00 54.13 53.41 2jwy s LEU 80 Cb -0.13 0.26 0.03 0.00 -2.05 0.00 0.00 46.19 44.30 2jwy s LEU 80 CO 0.01 -0.40 0.74 -0.89 -0.55 0.00 0.00 176.35 175.26 2jwy s THR 81 N -2.10 4.70 -0.47 5.48 2.01 0.13 -0.22 115.64 125.16 2jwy s THR 81 Ca -0.10 0.21 -0.24 0.00 0.31 0.00 0.00 61.69 61.87 2jwy s THR 81 Cb -0.05 -4.31 0.03 0.00 0.01 0.00 0.00 72.50 68.18 2jwy s THR 81 CO -0.03 -0.74 0.88 -0.22 -0.69 0.00 0.00 174.62 173.82 2jwy s LEU 82 N 3.15 4.11 -0.19 4.42 1.98 -0.08 -2.45 118.68 129.63 2jwy s LEU 82 Ca 0.26 -0.04 -0.11 0.00 -2.89 0.00 0.00 54.13 51.35 2jwy s LEU 82 Cb -0.13 -3.06 -0.05 0.00 0.66 0.00 0.00 46.19 43.61 2jwy s LEU 82 CO 0.20 -1.03 0.16 -0.13 -1.89 0.00 0.00 176.35 173.66 2jwy s ARG 83 N 3.62 4.18 -0.39 1.98 0.52 -1.11 -1.76 118.95 125.98 2jwy s ARG 83 Ca 0.33 -0.16 -0.04 0.00 -0.52 0.00 0.00 55.73 55.34 2jwy s ARG 83 Cb -0.11 -3.41 0.09 0.00 0.52 0.00 0.00 34.95 32.04 2jwy s ARG 83 CO 0.24 0.30 0.19 0.42 0.02 0.00 0.00 175.30 176.47 2jwy s ILE 84 N 0.34 3.49 0.62 1.52 1.09 0.69 -2.01 121.20 126.95 2jwy s ILE 84 Ca 0.10 -1.78 -0.07 0.00 -1.10 0.00 0.00 60.65 57.80 2jwy s ILE 84 Cb -0.11 -3.26 0.01 0.00 -1.06 0.00 0.00 42.46 38.03 2jwy s ILE 84 CO -0.01 -0.55 0.95 -1.10 -0.10 0.00 0.00 174.94 174.13 2jwy s GLN 85 N 1.24 2.86 0.17 2.79 -0.21 0.12 -0.92 119.66 125.71 2jwy s GLN 85 Ca 0.05 0.08 0.09 0.00 0.02 0.00 0.00 55.36 55.60 2jwy s GLN 85 Cb -0.22 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.53 2jwy s GLN 85 CO -0.02 -0.80 -0.14 0.20 -2.12 0.00 0.00 175.29 172.41 2jwy s GLY 86 N -4.33 1.72 0.13 3.09 0.00 -0.65 0.06 107.32 107.34 2jwy s GLY 86 Ca 0.55 -1.47 -0.16 0.00 0.00 0.00 0.00 44.72 43.63 2jwy s GLY 86 CO 0.46 -1.49 1.67 -2.09 0.00 0.00 0.00 173.10 171.65 2jwy h GLU 87 N 3.14 0.56 -7.48 2.90 4.81 -1.68 -3.45 114.58 113.38 2jwy h GLU 87 Ca -0.47 -0.11 -0.46 0.00 -0.13 0.00 0.00 59.36 58.20 2jwy h GLU 87 Cb 1.20 -0.09 0.12 0.00 0.63 0.00 0.00 28.75 30.61 2jwy h GLU 87 CO 0.51 0.55 0.28 0.45 -0.73 0.00 0.00 179.01 180.07 2jwy s SER 88 N -5.84 3.87 -0.08 1.04 0.15 -1.26 -5.04 113.70 106.54 2jwy s SER 88 Ca -0.13 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.58 2jwy s SER 88 Cb 0.10 -0.36 -0.26 0.00 -1.71 0.00 0.00 66.02 63.79 2jwy s SER 88 CO 0.75 -2.21 0.51 0.78 1.20 0.00 0.00 173.24 174.27 2jwy h ASN 89 N -1.06 0.33 -4.01 5.45 -0.26 -1.99 -3.42 115.58 110.63 2jwy h ASN 89 Ca -0.42 -0.68 -0.52 0.00 -0.56 0.00 0.00 56.30 54.12 2jwy h ASN 89 Cb 1.26 -0.11 0.09 0.00 -1.06 0.00 0.00 38.32 38.51 2jwy h ASN 89 CO 0.43 1.60 0.55 1.51 -1.06 0.00 0.00 177.43 180.47 2jwy s ASP 90 N -6.82 5.89 0.49 5.81 -4.77 -1.26 -3.16 116.67 112.84 2jwy s ASP 90 Ca -0.16 2.52 -0.23 0.00 -3.30 0.00 0.00 52.55 51.38 2jwy s ASP 90 Cb 0.07 -2.62 -0.07 0.00 -1.09 0.00 0.00 42.92 39.21 2jwy s ASP 90 CO 0.80 -1.13 1.26 -2.16 0.70 0.00 0.00 175.17 174.64 2jwy s PRO 91 N -2.69 3.54 0.27 2.11 0.04 -1.26 -4.43 135.00 132.58 2jwy s PRO 91 Ca 0.65 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 63.62 2jwy s PRO 91 Cb -0.34 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.75 2jwy s PRO 91 CO 0.42 -0.79 0.56 -0.51 0.04 0.00 0.00 177.00 176.72 2jwy s LEU 92 N -3.15 4.08 0.00 -3.56 1.43 -1.26 -4.96 118.68 111.26 2jwy s LEU 92 Ca 0.66 0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.54 2jwy s LEU 92 Cb -0.34 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.30 2jwy s LEU 92 CO 0.41 -0.16 0.20 -0.81 0.23 0.00 0.00 176.35 176.22 2jwy n PRO 93 N -0.66 -0.52 -2.40 1.29 -0.04 -1.26 -1.19 135.00 130.23 2jwy n PRO 93 Ca -0.01 -0.31 -0.34 0.00 -0.04 0.00 0.00 63.50 62.81 2jwy n PRO 93 Cb 0.53 -0.23 -0.02 0.00 -0.04 0.00 0.00 33.50 33.74 2jwy n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwy s ALA 94 N -3.72 2.83 -0.04 0.55 0.00 -1.26 -4.37 121.76 115.75 2jwy s ALA 94 Ca 0.12 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 2jwy s ALA 94 Cb -0.01 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.91 2jwy s ALA 94 CO 0.08 -0.46 0.49 -0.59 0.00 0.00 0.00 175.76 175.28 2jwy s PHE 95 N -2.11 -0.42 -0.03 0.00 -0.71 -1.16 -2.23 117.98 111.33 2jwy s PHE 95 Ca 0.66 0.72 0.03 0.00 -1.04 0.00 0.00 56.93 57.30 2jwy s PHE 95 Cb -0.16 0.25 -0.00 0.00 -1.21 0.00 0.00 43.02 41.89 2jwy s PHE 95 CO 0.25 -0.49 -0.11 -1.54 -1.34 0.00 0.00 175.22 171.98 2jwy s SER 96 N -1.20 1.46 0.30 1.98 1.04 0.48 -0.96 113.70 116.79 2jwy s SER 96 Ca -0.12 -0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 2jwy s SER 96 Cb -0.03 -0.34 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 2jwy s SER 96 CO 0.07 0.10 0.36 -0.83 0.98 0.00 0.00 173.24 173.93 2jwy s GLY 97 N 0.04 1.50 -0.21 7.32 0.00 -0.48 -1.11 107.32 114.39 2jwy s GLY 97 Ca -0.01 -1.57 -0.04 0.00 0.00 0.00 0.00 44.72 43.10 2jwy s GLY 97 CO 0.01 -1.12 -0.04 -1.59 0.00 0.00 0.00 173.10 170.36 2jwy s THR 98 N -3.51 3.51 -0.15 0.90 2.01 0.02 -0.72 115.64 117.71 2jwy s THR 98 Ca 0.33 -0.46 -0.06 0.00 0.31 0.00 0.00 61.69 61.82 2jwy s THR 98 Cb 0.02 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 2jwy s THR 98 CO 0.18 0.43 0.06 0.68 -0.69 0.00 0.00 174.62 175.28 2jwy s VAL 99 N 1.25 4.75 -0.12 3.82 -7.23 0.56 -2.00 120.40 121.43 2jwy s VAL 99 Ca 0.03 -0.06 0.02 0.00 -1.81 0.00 0.00 61.98 60.16 2jwy s VAL 99 Cb -0.14 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.71 2jwy s VAL 99 CO -0.01 0.52 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.50 2jwy s GLU 100 N -0.13 2.60 -0.03 4.82 2.02 0.44 -0.23 118.70 128.19 2jwy s GLU 100 Ca 0.07 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.37 2jwy s GLU 100 Cb -0.12 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.00 2jwy s GLU 100 CO 0.01 -0.00 -0.06 1.52 0.02 0.00 0.00 175.26 176.75 2jwy s TYR 101 N 0.81 0.74 0.00 1.61 1.13 0.22 0.84 117.35 122.69 2jwy s TYR 101 Ca -0.09 -0.19 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 2jwy s TYR 101 Cb -0.16 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.11 2jwy s TYR 101 CO 0.00 -0.13 0.00 0.41 -2.51 0.00 0.00 175.55 173.32 2jwy n GLY 102 N 3.65 2.49 3.47 5.49 0.00 -0.84 -1.21 105.19 118.24 2jwy n GLY 102 Ca -0.22 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 2jwy n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwy s GLN 103 N 1.26 1.70 -0.21 1.61 -0.21 0.39 -0.16 119.66 124.04 2jwy s GLN 103 Ca 0.00 -1.29 -0.05 0.00 0.02 0.00 0.00 55.36 54.04 2jwy s GLN 103 Cb 0.00 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.96 2jwy s GLN 103 CO 0.00 0.45 -0.00 0.42 -2.12 0.00 0.00 175.29 174.04 2jwy s ILE 104 N -1.31 3.82 -0.26 1.08 1.01 -1.26 -1.62 121.20 122.66 2jwy s ILE 104 Ca 0.19 -0.35 0.12 0.00 0.00 0.00 0.00 60.65 60.61 2jwy s ILE 104 Cb -0.10 -2.74 0.62 0.00 0.01 0.00 0.00 42.46 40.26 2jwy s ILE 104 CO 0.10 0.41 1.60 0.00 0.00 0.00 0.00 174.94 177.05 2jwy n GLN 105 N 4.53 3.08 -1.80 2.79 10.64 -1.03 -5.01 117.38 130.58 2jwy n GLN 105 Ca -0.17 -3.02 -0.01 0.00 -1.83 0.00 0.00 57.00 51.97 2jwy n GLN 105 Cb 0.51 -2.00 -0.00 0.00 -0.86 0.00 0.00 30.24 27.89 2jwy n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jwy n GLY 106 N -0.47 3.36 1.43 2.61 0.00 -1.26 -4.70 105.19 106.16 2jwy n GLY 106 Ca 0.32 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 2jwy n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jwy n THR 107 N -0.03 0.00 -0.05 2.61 -2.24 0.90 -4.82 114.28 110.66 2jwy n THR 107 Ca 0.00 -0.66 -0.06 0.00 -2.27 0.00 0.00 64.05 61.06 2jwy n THR 107 Cb 0.03 -0.96 0.12 0.00 -2.10 0.00 0.00 70.33 67.42 2jwy n THR 107 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jwy h ILE 108 N -0.14 1.27 0.01 2.28 1.08 -2.01 -3.23 117.51 116.78 2jwy h ILE 108 Ca -0.11 -1.35 -0.25 0.00 -0.39 0.00 0.00 64.86 62.76 2jwy h ILE 108 Cb 0.45 1.30 0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2jwy h ILE 108 CO 0.14 0.44 -1.00 0.44 -0.69 0.00 0.00 178.15 177.48 2jwy h ASP 109 N 0.57 0.70 -2.63 1.72 5.19 -2.02 -3.44 116.42 116.52 2jwy h ASP 109 Ca 0.08 -0.57 -0.31 0.00 -0.62 0.00 0.00 57.03 55.60 2jwy h ASP 109 Cb 0.74 -0.22 -0.36 0.00 0.18 0.00 0.00 39.33 39.68 2jwy h ASP 109 CO 0.06 1.37 -0.62 0.54 -3.12 0.00 0.00 179.24 177.47 2jwy s ASN 110 N -7.18 1.26 0.01 6.45 4.22 -1.22 -5.15 114.94 113.32 2jwy s ASN 110 Ca -0.08 -0.11 0.00 0.00 -2.14 0.00 0.00 52.86 50.54 2jwy s ASN 110 Cb 0.08 0.37 -0.01 0.00 1.28 0.00 0.00 41.25 42.97 2jwy s ASN 110 CO 0.89 -0.31 -0.03 0.72 -2.04 0.00 0.00 177.10 176.33 2jwy s PHE 111 N 2.32 0.25 0.04 1.54 -0.71 -1.22 -0.07 117.98 120.13 2jwy s PHE 111 Ca 0.06 -0.31 0.07 0.00 -1.04 0.00 0.00 56.93 55.71 2jwy s PHE 111 Cb -0.15 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.46 2jwy s PHE 111 CO -0.11 -0.10 -0.20 -0.65 -1.34 0.00 0.00 175.22 172.82 2jwy s GLN 112 N -0.87 2.02 -0.28 1.99 -0.21 -1.26 -4.92 119.66 116.13 2jwy s GLN 112 Ca -0.08 -1.00 -0.13 0.00 0.02 0.00 0.00 55.36 54.17 2jwy s GLN 112 Cb -0.06 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.76 2jwy s GLN 112 CO -0.00 0.54 0.27 -1.21 -2.12 0.00 0.00 175.29 172.76 2jwy s GLU 113 N -1.36 3.94 0.11 2.91 2.02 -1.26 -2.46 118.70 122.59 2jwy s GLU 113 Ca 0.14 -0.20 0.09 0.00 0.02 0.00 0.00 54.97 55.02 2jwy s GLU 113 Cb -0.10 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 2jwy s GLU 113 CO 0.04 -0.25 -0.23 0.96 0.02 0.00 0.00 175.26 175.80 2jwy s ILE 114 N 1.89 1.92 -1.48 -1.63 -4.36 -0.64 -4.75 121.20 112.15 2jwy s ILE 114 Ca 0.10 -1.60 -0.12 0.00 -0.26 0.00 0.00 60.65 58.78 2jwy s ILE 114 Cb -0.16 -1.72 0.06 0.00 1.25 0.00 0.00 42.46 41.90 2jwy s ILE 114 CO 0.11 0.02 0.96 0.59 0.24 0.00 0.00 174.94 176.86 2jwy n ASN 115 N 1.09 -5.20 -4.56 4.36 3.02 -1.26 -0.46 115.26 112.24 2jwy n ASN 115 Ca -0.19 -0.66 -0.35 0.00 -0.03 0.00 0.00 54.58 53.35 2jwy n ASN 115 Cb 0.53 -4.15 -0.11 0.00 -0.61 0.00 0.00 39.78 35.45 2jwy n ASN 115 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jwy s VAL 116 N -3.26 4.54 0.19 2.41 0.11 -1.26 -4.27 120.40 118.85 2jwy s VAL 116 Ca 0.61 -0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 59.54 2jwy s VAL 116 Cb -0.30 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 2jwy s VAL 116 CO 0.75 0.43 0.08 0.00 -3.33 0.00 0.00 175.10 173.03 2jwy s GLN 117 N 0.72 1.14 0.53 1.54 0.00 -0.35 -4.94 119.66 118.30 2jwy s GLN 117 Ca 0.03 -1.58 0.04 0.00 -0.00 0.00 0.00 55.36 53.85 2jwy s GLN 117 Cb -0.13 0.09 0.02 0.00 0.00 0.00 0.00 33.01 32.99 2jwy s GLN 117 CO 0.02 -0.30 0.28 0.54 0.00 0.00 0.00 175.29 175.83 2jwy s ASN 118 N -3.16 4.48 -0.02 12.60 4.22 -1.26 -0.61 114.94 131.19 2jwy s ASN 118 Ca 0.32 -1.37 -0.29 0.00 -2.14 0.00 0.00 52.86 49.38 2jwy s ASN 118 Cb 0.07 0.45 0.11 0.00 1.28 0.00 0.00 41.25 43.15 2jwy s ASN 118 CO 0.08 -1.03 0.91 -1.58 -2.04 0.00 0.00 177.10 173.44 2jwy s GLN 119 N -4.16 0.78 -0.16 3.55 0.74 0.67 -4.95 119.66 116.14 2jwy s GLN 119 Ca 0.25 -0.28 -0.08 0.00 0.05 0.00 0.00 55.36 55.30 2jwy s GLN 119 Cb -0.01 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.42 2jwy s GLN 119 CO 0.16 -0.34 0.11 -0.51 -0.55 0.00 0.00 175.29 174.16 2jwy s LEU 120 N -2.43 4.16 -0.35 3.68 1.43 -1.26 -0.32 118.68 123.59 2jwy s LEU 120 Ca 0.05 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 2jwy s LEU 120 Cb -0.01 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.23 2jwy s LEU 120 CO -0.08 0.27 0.11 0.27 0.23 0.00 0.00 176.35 177.15 2jwy s ILE 121 N -0.18 3.45 -0.49 -0.59 -4.36 0.11 -4.96 121.20 114.18 2jwy s ILE 121 Ca 0.10 -1.47 -0.12 0.00 -0.26 0.00 0.00 60.65 58.89 2jwy s ILE 121 Cb -0.12 -3.08 0.12 0.00 1.25 0.00 0.00 42.46 40.63 2jwy s ILE 121 CO 0.01 -0.32 0.40 0.20 0.24 0.00 0.00 174.94 175.47 2jwy s ASN 122 N 1.55 5.93 0.11 4.36 -0.87 -1.26 -1.38 114.94 123.37 2jwy s ASN 122 Ca 0.00 -1.78 0.02 0.00 -1.57 0.00 0.00 52.86 49.53 2jwy s ASN 122 Cb -0.21 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 38.88 2jwy s ASN 122 CO -0.00 -0.74 0.23 0.00 -2.57 0.00 0.00 177.10 174.01 2jwy s ALA 123 N 1.49 3.94 0.95 0.60 0.00 -0.14 -5.01 121.76 123.59 2jwy s ALA 123 Ca 0.04 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 2jwy s ALA 123 Cb -0.27 -1.75 0.17 0.00 0.00 0.00 0.00 23.12 21.27 2jwy s ALA 123 CO 0.02 0.68 1.22 -1.25 0.00 0.00 0.00 175.76 176.42 2jwy s PRO 124 N -2.86 0.79 0.45 0.00 0.04 -1.26 -2.98 135.00 129.18 2jwy s PRO 124 Ca 0.34 -0.09 -0.09 0.00 0.04 0.00 0.00 61.00 61.20 2jwy s PRO 124 Cb -0.12 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2jwy s PRO 124 CO 0.28 -2.36 0.80 0.00 0.04 0.00 0.00 177.00 175.76 2jwy s ALA 125 N -3.57 3.34 -0.30 8.56 0.00 -1.26 -4.36 121.76 124.17 2jwy s ALA 125 Ca 0.69 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 2jwy s ALA 125 Cb -0.09 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 2jwy s ALA 125 CO 0.53 -0.18 0.19 -1.12 0.00 0.00 0.00 175.76 175.18 2jwy s SER 126 N -3.53 5.91 -0.14 0.00 0.01 -0.33 -4.88 113.70 110.73 2jwy s SER 126 Ca 0.51 -0.19 -0.26 0.00 1.31 0.00 0.00 55.95 57.32 2jwy s SER 126 Cb -0.10 -2.10 -0.23 0.00 0.21 0.00 0.00 66.02 63.80 2jwy s SER 126 CO 0.37 -0.12 0.67 0.58 0.41 0.00 0.00 173.24 175.16 2jwy h VAL 127 N 5.45 1.58 -1.97 3.43 2.07 -1.96 -3.40 116.25 121.46 2jwy h VAL 127 Ca -0.34 -2.20 -0.62 0.00 0.82 0.00 0.00 66.70 64.36 2jwy h VAL 127 Cb 1.18 3.00 -0.14 0.00 -1.52 0.00 0.00 31.29 33.81 2jwy h VAL 127 CO 0.58 0.54 -0.69 -0.76 0.02 0.00 0.00 177.57 177.26 2jwy s LEU 128 N -8.25 2.72 0.69 2.57 1.43 -1.26 -4.85 118.68 111.74 2jwy s LEU 128 Ca -0.17 -1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 51.61 2jwy s LEU 128 Cb -0.02 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.20 2jwy s LEU 128 CO 0.61 -0.18 1.11 0.00 0.23 0.00 0.00 176.35 178.13 2jwy s ALA 129 N -2.60 2.39 0.52 4.21 0.00 -1.26 -4.64 121.76 120.38 2jwy s ALA 129 Ca 0.32 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 2jwy s ALA 129 Cb 0.02 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.84 2jwy s ALA 129 CO 0.16 -1.45 0.76 -1.25 0.00 0.00 0.00 175.76 173.99 2jwy s PRO 130 N -4.30 2.81 -0.71 0.00 0.04 -1.26 -5.03 135.00 126.55 2jwy s PRO 130 Ca 0.66 -0.50 -0.26 0.00 0.04 0.00 0.00 61.00 60.94 2jwy s PRO 130 Cb -0.20 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 2jwy s PRO 130 CO 0.45 -0.55 2.05 -1.12 0.04 0.00 0.00 177.00 177.88 2jwy s SER 131 N -4.32 4.90 -0.20 6.66 0.01 -1.19 -4.87 113.70 114.69 2jwy s SER 131 Ca 0.53 0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.84 2jwy s SER 131 Cb -0.10 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.69 2jwy s SER 131 CO 0.40 -2.78 0.31 -0.62 0.41 0.00 0.00 173.24 170.95 2jwy s ASP 132 N 9.12 0.60 -0.29 2.44 -1.08 -1.25 -1.64 116.67 124.58 2jwy s ASP 132 Ca 0.76 0.21 -0.01 0.00 -0.52 0.00 0.00 52.55 53.00 2jwy s ASP 132 Cb -0.11 0.81 0.05 0.00 -1.46 0.00 0.00 42.92 42.21 2jwy s ASP 132 CO 0.13 -0.29 -0.03 -0.69 0.52 0.00 0.00 175.17 174.81 2jwy s VAL 133 N 2.45 2.81 -0.29 1.11 1.01 -0.09 -4.92 120.40 122.48 2jwy s VAL 133 Ca 0.07 -1.43 -0.13 0.00 0.00 0.00 0.00 61.98 60.50 2jwy s VAL 133 Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2jwy s VAL 133 CO -0.13 -0.08 0.28 1.51 0.00 0.00 0.00 175.10 176.69 2jwy s ASP 134 N 1.22 6.13 -0.06 3.32 -4.77 -1.26 -0.22 116.67 121.03 2jwy s ASP 134 Ca -0.06 0.01 0.04 0.00 -3.30 0.00 0.00 52.55 49.24 2jwy s ASP 134 Cb -0.20 -2.16 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 2jwy s ASP 134 CO -0.02 -0.16 -0.16 0.27 0.70 0.00 0.00 175.17 175.80 2jwy s ILE 135 N 1.90 1.38 -0.18 2.11 -4.36 -0.72 -4.98 121.20 116.35 2jwy s ILE 135 Ca 0.10 -0.66 -0.29 0.00 -0.26 0.00 0.00 60.65 59.54 2jwy s ILE 135 Cb -0.16 -1.21 -0.02 0.00 1.25 0.00 0.00 42.46 42.32 2jwy s ILE 135 CO 0.11 0.40 1.40 -2.16 0.24 0.00 0.00 174.94 174.93 2jwy s PRO 136 N 0.27 4.10 -0.19 0.37 0.04 -1.26 -0.90 135.00 137.42 2jwy s PRO 136 Ca -0.09 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 2jwy s PRO 136 Cb -0.13 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.52 2jwy s PRO 136 CO 0.03 -0.90 -0.07 -1.17 0.04 0.00 0.00 177.00 174.94 2jwy s LEU 137 N 4.03 2.87 -0.41 -3.56 0.20 0.69 -4.96 118.68 117.54 2jwy s LEU 137 Ca 0.61 -0.35 -0.10 0.00 0.69 0.00 0.00 54.13 54.98 2jwy s LEU 137 Cb -0.23 -1.71 0.06 0.00 -0.43 0.00 0.00 46.19 43.88 2jwy s LEU 137 CO 0.21 0.05 0.25 -1.58 -0.29 0.00 0.00 176.35 174.99 2jwy s GLN 138 N 1.07 2.71 -0.15 1.98 0.74 -1.26 -0.75 119.66 124.00 2jwy s GLN 138 Ca 0.01 -1.33 -0.26 0.00 0.05 0.00 0.00 55.36 53.82 2jwy s GLN 138 Cb -0.15 -3.80 -0.01 0.00 1.10 0.00 0.00 33.01 30.16 2jwy s GLN 138 CO -0.01 -0.88 0.88 -0.51 -0.55 0.00 0.00 175.29 174.22 2jwy s LEU 139 N 1.49 4.20 -0.18 3.68 1.43 0.47 -4.94 118.68 124.82 2jwy s LEU 139 Ca 0.03 1.27 -0.06 0.00 -1.03 0.00 0.00 54.13 54.34 2jwy s LEU 139 Cb -0.22 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2jwy s LEU 139 CO 0.04 -0.41 0.03 -0.54 0.23 0.00 0.00 176.35 175.70 2jwy s LYS 140 N 2.10 3.83 0.00 1.70 1.02 -1.26 -0.70 119.74 126.43 2jwy s LYS 140 Ca 0.41 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.98 2jwy s LYS 140 Cb -0.17 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2jwy s LYS 140 CO 0.14 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 2jwy n GLY 141 N 3.71 0.82 3.05 -3.33 0.00 -0.08 -4.95 105.19 104.41 2jwy n GLY 141 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2jwy n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jwy s ILE 142 N -2.09 -0.01 0.07 -0.61 2.07 -1.26 -5.05 121.20 114.32 2jwy s ILE 142 Ca 0.00 0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.25 2jwy s ILE 142 Cb 0.00 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 2jwy s ILE 142 CO 0.00 0.02 0.27 -0.44 -1.91 0.00 0.00 174.94 172.87 2jwy s SER 143 N 0.37 6.42 0.17 4.50 0.01 -1.26 -2.72 113.70 121.19 2jwy s SER 143 Ca -0.02 0.41 -0.16 0.00 1.31 0.00 0.00 55.95 57.49 2jwy s SER 143 Cb -0.04 -2.02 0.11 0.00 0.21 0.00 0.00 66.02 64.29 2jwy s SER 143 CO -0.02 0.15 1.68 1.62 0.41 0.00 0.00 173.24 177.08 2jwy h VAL 144 N 2.25 0.62 0.00 3.43 3.04 -1.91 -1.02 116.25 122.66 2jwy h VAL 144 Ca -0.46 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.19 2jwy h VAL 144 Cb 1.17 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 2jwy h VAL 144 CO 0.73 0.01 -0.10 -0.78 -1.01 0.00 0.00 177.57 176.42 2jwy h ASP 145 N 0.04 0.00 -0.66 3.17 3.58 -1.99 -1.80 116.42 118.76 2jwy h ASP 145 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2jwy h ASP 145 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2jwy h ASP 145 CO -0.40 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.06 2jwy n GLN 146 N -3.98 3.72 -3.27 0.28 1.13 -0.47 -4.93 117.38 109.87 2jwy n GLN 146 Ca -0.02 -2.90 -0.39 0.00 -1.94 0.00 0.00 57.00 51.74 2jwy n GLN 146 Cb 0.19 -1.89 -0.08 0.00 0.11 0.00 0.00 30.24 28.57 2jwy n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2jwy s LEU 147 N -1.81 4.08 -0.14 1.08 0.20 -0.68 -4.69 118.68 116.72 2jwy s LEU 147 Ca 0.52 0.53 -0.12 0.00 0.69 0.00 0.00 54.13 55.75 2jwy s LEU 147 Cb 0.33 -2.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.42 2jwy s LEU 147 CO 0.25 -0.22 -0.23 0.61 -0.29 0.00 0.00 176.35 176.47 2jwy n GLY 148 N 4.25 -0.67 3.12 7.98 0.00 0.78 -4.72 105.19 115.93 2jwy n GLY 148 Ca -0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2jwy n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jwy s PHE 149 N -2.36 0.78 -0.02 1.61 -0.71 -0.35 -4.38 117.98 112.55 2jwy s PHE 149 Ca -0.19 -0.73 0.04 0.00 -1.04 0.00 0.00 56.93 55.01 2jwy s PHE 149 Cb 0.03 -0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 41.37 2jwy s PHE 149 CO 0.29 -0.13 -0.15 0.08 -1.34 0.00 0.00 175.22 173.97 2jwy s VAL 150 N -2.62 1.19 -0.22 -2.49 1.01 0.73 -1.98 120.40 116.02 2jwy s VAL 150 Ca 0.02 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2jwy s VAL 150 Cb -0.02 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.40 2jwy s VAL 150 CO -0.03 0.34 -0.10 -0.13 0.00 0.00 0.00 175.10 175.19 2jwy s ARG 151 N -0.20 2.03 -0.30 2.72 0.52 0.25 -0.40 118.95 123.57 2jwy s ARG 151 Ca 0.03 -0.97 -0.08 0.00 -0.52 0.00 0.00 55.73 54.18 2jwy s ARG 151 Cb -0.07 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.85 2jwy s ARG 151 CO 0.00 -0.48 0.12 0.42 0.02 0.00 0.00 175.30 175.38 2jwy s ILE 152 N 1.33 4.29 0.37 1.52 -1.09 -0.79 -0.42 121.20 126.41 2jwy s ILE 152 Ca -0.03 -0.56 -0.05 0.00 -2.23 0.00 0.00 60.65 57.77 2jwy s ILE 152 Cb -0.17 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 2jwy s ILE 152 CO -0.07 0.07 0.57 -1.38 -1.23 0.00 0.00 174.94 172.89 2jwy s HIS 153 N 1.56 0.86 -1.70 3.97 -3.43 -0.85 -1.90 115.29 113.80 2jwy s HIS 153 Ca 0.04 -1.21 0.00 0.00 -0.80 0.00 0.00 55.06 53.09 2jwy s HIS 153 Cb -0.17 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 2jwy s HIS 153 CO 0.04 -1.28 0.00 -0.25 -2.00 0.00 0.00 174.74 171.25 2jwy n ASP 154 N -1.52 -5.16 -4.58 7.38 8.00 -1.26 -0.80 116.55 118.61 2jwy n ASP 154 Ca -0.01 0.21 -0.40 0.00 0.71 0.00 0.00 54.79 55.29 2jwy n ASP 154 Cb 0.61 -4.23 -0.03 0.00 -0.02 0.00 0.00 41.12 37.45 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jwy s ILE 155 N -2.77 3.15 0.03 0.53 -1.09 -1.26 -4.38 121.20 115.41 2jwy s ILE 155 Ca 0.00 0.13 0.07 0.00 -2.23 0.00 0.00 60.65 58.62 2jwy s ILE 155 Cb 0.00 -3.27 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 2jwy s ILE 155 CO 0.00 -0.21 -0.20 0.00 -1.23 0.00 0.00 174.94 173.30 2jwy s GLN 156 N 6.87 1.40 -0.37 2.79 -2.07 -0.27 -2.60 119.66 125.42 2jwy s GLN 156 Ca 0.91 -0.87 -0.28 0.00 -1.82 0.00 0.00 55.36 53.30 2jwy s GLN 156 Cb -0.23 -1.47 -0.02 0.00 -1.09 0.00 0.00 33.01 30.19 2jwy s GLN 156 CO 0.30 0.38 1.86 -1.25 -1.32 0.00 0.00 175.29 175.26 2jwy s PRO 157 N -1.00 3.17 -0.43 9.60 0.04 -1.26 -0.39 135.00 144.73 2jwy s PRO 157 Ca 0.07 1.34 -0.25 0.00 0.04 0.00 0.00 61.00 62.20 2jwy s PRO 157 Cb -0.08 -4.25 0.02 0.00 0.04 0.00 0.00 34.50 30.23 2jwy s PRO 157 CO 0.01 -2.06 0.87 0.54 0.04 0.00 0.00 177.00 176.40 2jwy s VAL 158 N 7.52 4.57 0.26 -0.36 0.11 -0.95 -4.91 120.40 126.65 2jwy s VAL 158 Ca 0.80 0.77 0.03 0.00 -2.93 0.00 0.00 61.98 60.65 2jwy s VAL 158 Cb -0.21 -4.36 -0.06 0.00 -1.53 0.00 0.00 36.38 30.23 2jwy s VAL 158 CO 0.31 -0.70 0.03 -0.04 -3.33 0.00 0.00 175.10 171.38 2jwy s MET 159 N 3.50 1.44 -0.23 1.54 -1.94 -1.26 -4.52 119.30 117.84 2jwy s MET 159 Ca 0.35 -1.76 -0.32 0.00 -1.71 0.00 0.00 55.69 52.25 2jwy s MET 159 Cb -0.11 -0.63 -0.09 0.00 2.01 0.00 0.00 34.83 36.00 2jwy s MET 159 CO 0.23 -0.15 2.12 0.94 -0.01 0.00 0.00 175.02 178.15 2jwy n GLN 160 N -0.50 1.73 -2.41 2.03 -0.06 -1.26 -4.89 117.38 112.01 2jwy n GLN 160 Ca -0.03 0.53 -0.39 0.00 -2.00 0.00 0.00 57.00 55.10 2jwy n GLN 160 Cb 0.65 -2.82 -0.03 0.00 -4.06 0.00 0.00 30.24 23.98 2jwy n GLN 160 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 2jwy s LEU 161 N 6.86 3.26 -0.04 1.69 2.34 -1.26 -4.85 118.68 126.67 2jwy s LEU 161 Ca 1.02 -0.53 -0.02 0.00 0.06 0.00 0.00 54.13 54.65 2jwy s LEU 161 Cb -0.61 -2.56 -0.01 0.00 -0.56 0.00 0.00 46.19 42.46 2jwy s LEU 161 CO 0.44 -1.95 -0.05 -0.33 -1.06 0.00 0.00 176.35 173.41 2jwy h GLU 162 N 11.03 0.00 -4.92 1.48 5.08 -2.07 -3.49 114.58 121.69 2jwy h GLU 162 Ca -0.14 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.76 2jwy h GLU 162 Cb 1.06 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.01 2jwy h GLU 162 CO 1.30 0.00 -0.80 -1.01 -1.00 0.00 0.00 179.01 177.49 2jwy s HIS 163 N -1.37 1.14 -1.50 4.33 3.76 -1.26 -5.04 115.29 115.34 2jwy s HIS 163 Ca -0.04 -0.27 -0.11 0.00 -0.15 0.00 0.00 55.06 54.49 2jwy s HIS 163 Cb 0.01 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 2jwy s HIS 163 CO 0.06 -0.08 2.65 1.58 -0.85 0.00 0.00 174.74 178.10 2jwy n HIS 164 N 3.05 2.69 -2.62 1.40 -0.00 -1.26 -4.90 115.22 113.59 2jwy n HIS 164 Ca -0.16 -2.95 -0.41 0.00 0.46 0.00 0.00 57.72 54.65 2jwy n HIS 164 Cb 0.55 -2.44 -0.03 0.00 -0.12 0.00 0.00 29.99 27.95 2jwy n HIS 164 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jwy s HIS 165 N 2.66 2.56 -0.33 1.57 5.04 -1.26 -4.97 115.29 120.57 2jwy s HIS 165 Ca 0.60 -0.73 -0.01 0.00 -1.54 0.00 0.00 55.06 53.38 2jwy s HIS 165 Cb 0.16 -4.62 0.07 0.00 0.04 0.00 0.00 32.58 28.24 2jwy s HIS 165 CO -0.06 -1.90 0.04 -1.58 -2.34 0.00 0.00 174.74 168.90 2jwy s HIS 166 N 4.81 3.40 0.00 3.88 2.46 -1.26 -4.82 115.29 123.75 2jwy s HIS 166 Ca 0.41 -2.16 0.00 0.00 0.47 0.00 0.00 55.06 53.78 2jwy s HIS 166 Cb -0.03 -2.45 0.00 0.00 -0.13 0.00 0.00 32.58 29.97 2jwy s HIS 166 CO -0.04 -0.87 0.00 1.58 -2.47 0.00 0.00 174.74 172.94 2jwy n HIS 167 N 4.56 0.00 1.60 3.88 -0.00 -1.26 -5.34 115.22 118.66 2jwy n HIS 167 Ca -0.09 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.78 2jwy n HIS 167 Cb 0.43 0.00 0.61 0.00 -0.00 0.00 0.00 29.99 31.03 2jwy n HIS 167 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92