#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 0.90 0.62 2.03 1.01 -1.26 -5.14 120.40 118.55 2jwy s VAL 2 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2jwy s VAL 2 Cb 0.00 -1.29 0.10 0.00 0.00 0.00 0.00 36.38 35.19 2jwy s VAL 2 CO 0.00 -0.13 0.85 0.00 0.00 0.00 0.00 175.10 175.82 2jwy s GLN 3 N 1.69 2.12 0.12 2.72 1.03 -1.26 -5.15 119.66 120.94 2jwy s GLN 3 Ca -0.02 -1.46 -0.07 0.00 0.04 0.00 0.00 55.36 53.86 2jwy s GLN 3 Cb -0.17 -2.55 -0.01 0.00 0.03 0.00 0.00 33.01 30.30 2jwy s GLN 3 CO -0.07 -1.03 0.17 1.14 -2.54 0.00 0.00 175.29 172.96 2jwy s GLN 4 N -4.81 0.93 0.01 9.60 0.00 -1.26 -5.18 119.66 118.96 2jwy s GLN 4 Ca 0.63 -1.14 0.03 0.00 -0.00 0.00 0.00 55.36 54.88 2jwy s GLN 4 Cb -0.06 0.32 -0.01 0.00 0.00 0.00 0.00 33.01 33.26 2jwy s GLN 4 CO 0.40 -0.30 -0.10 -1.54 0.00 0.00 0.00 175.29 173.76 2jwy s SER 5 N -2.93 1.13 0.62 12.60 1.04 -1.26 -5.16 113.70 119.73 2jwy s SER 5 Ca 0.12 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 2jwy s SER 5 Cb 0.05 -0.09 0.07 0.00 0.10 0.00 0.00 66.02 66.15 2jwy s SER 5 CO -0.05 0.05 0.48 -0.62 0.98 0.00 0.00 173.24 174.07 2jwy n GLU 6 N 2.46 0.14 -3.72 4.02 1.02 -1.26 -5.09 120.64 118.21 2jwy n GLU 6 Ca -0.16 -1.19 -0.30 0.00 -0.02 0.00 0.00 57.16 55.50 2jwy n GLU 6 Cb 0.56 -0.35 -0.14 0.00 -0.02 0.00 0.00 31.44 31.49 2jwy n GLU 6 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jwy s VAL 7 N -1.45 1.07 0.01 2.62 0.11 -1.26 -5.13 120.40 116.37 2jwy s VAL 7 Ca 0.31 -1.88 -0.00 0.00 -2.93 0.00 0.00 61.98 57.48 2jwy s VAL 7 Cb -0.02 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 2jwy s VAL 7 CO 0.21 -0.77 0.02 0.54 -3.33 0.00 0.00 175.10 171.76 2jwy n ARG 8 N 4.30 0.55 -1.84 1.54 5.12 -1.26 -4.93 116.66 120.13 2jwy n ARG 8 Ca 0.03 -0.05 -0.21 0.00 -1.93 0.00 0.00 57.85 55.69 2jwy n ARG 8 Cb 0.39 -0.01 -0.07 0.00 -1.16 0.00 0.00 32.46 31.60 2jwy n ARG 8 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2jwy s GLN 9 N -2.48 2.01 -0.11 5.56 -1.52 -1.26 -4.92 119.66 116.94 2jwy s GLN 9 Ca 0.01 -0.32 -0.02 0.00 -1.95 0.00 0.00 55.36 53.09 2jwy s GLN 9 Cb -0.00 -5.02 -0.03 0.00 -0.22 0.00 0.00 33.01 27.74 2jwy s GLN 9 CO 0.01 -4.23 -0.04 -1.64 -0.25 0.00 0.00 175.29 169.14 2jwy s MET 10 N 7.67 3.21 -0.55 2.91 -1.94 -1.26 -5.06 119.30 124.28 2jwy s MET 10 Ca 0.78 -0.51 -0.27 0.00 -1.71 0.00 0.00 55.69 53.98 2jwy s MET 10 Cb -0.07 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 33.98 2jwy s MET 10 CO 0.08 0.48 1.88 0.15 -0.01 0.00 0.00 175.02 177.60 2jwy s LYS 11 N -0.30 2.74 -0.92 2.03 1.02 -1.26 -4.93 119.74 118.12 2jwy s LYS 11 Ca 0.05 0.82 -0.11 0.00 0.02 0.00 0.00 55.97 56.75 2jwy s LYS 11 Cb -0.13 -4.36 0.24 0.00 -0.52 0.00 0.00 37.83 33.07 2jwy s LYS 11 CO 0.02 -2.58 0.88 -1.01 -0.92 0.00 0.00 175.35 171.74 2jwy s HIS 12 N 8.80 3.94 -0.59 3.18 3.76 -1.26 -4.75 115.29 128.37 2jwy s HIS 12 Ca 0.71 -2.34 -0.11 0.00 -0.15 0.00 0.00 55.06 53.17 2jwy s HIS 12 Cb -0.15 -3.77 0.02 0.00 1.11 0.00 0.00 32.58 29.79 2jwy s HIS 12 CO 0.24 -0.96 0.64 0.45 -0.85 0.00 0.00 174.74 174.27 2jwy n SER 13 N 3.40 -7.26 -4.49 1.40 2.88 -1.26 -4.96 113.62 103.33 2jwy n SER 13 Ca 0.18 0.07 -0.41 0.00 -1.33 0.00 0.00 58.87 57.37 2jwy n SER 13 Cb 0.43 -4.50 -0.10 0.00 -0.75 0.00 0.00 64.21 59.29 2jwy n SER 13 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jwy s VAL 14 N -2.65 5.17 -0.22 2.46 1.01 -1.26 -5.02 120.40 119.89 2jwy s VAL 14 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2jwy s VAL 14 Cb -0.03 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.69 2jwy s VAL 14 CO 0.79 -0.13 0.23 -0.44 0.00 0.00 0.00 175.10 175.55 2jwy s SER 15 N 1.69 1.44 0.28 3.32 0.01 -1.26 -5.16 113.70 114.01 2jwy s SER 15 Ca 0.05 -0.30 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 2jwy s SER 15 Cb -0.18 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 2jwy s SER 15 CO 0.10 -0.34 0.33 0.28 0.41 0.00 0.00 173.24 174.02 2jwy s THR 16 N 2.33 0.00 0.00 1.44 -1.32 -1.26 -5.18 115.64 111.65 2jwy s THR 16 Ca 0.07 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 2jwy s THR 16 Cb -0.16 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 2jwy s THR 16 CO -0.15 0.00 0.00 0.18 -2.21 0.00 0.00 174.62 172.44 2jwy n LEU 17 N -0.46 0.00 -4.56 9.08 7.99 -1.26 -4.98 117.00 122.81 2jwy n LEU 17 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.68 2jwy n LEU 17 Cb 0.63 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.90 2jwy n LEU 17 CO 0.30 -0.46 1.41 0.20 -1.51 0.00 0.00 177.39 177.33 2jwy s ASN 18 N -1.00 5.81 0.00 -1.43 -0.87 -1.26 -4.94 114.94 111.25 2jwy s ASN 18 Ca 0.00 -1.02 0.00 0.00 -1.57 0.00 0.00 52.86 50.27 2jwy s ASN 18 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2jwy s ASN 18 CO 0.00 -2.14 0.00 0.00 -2.57 0.00 0.00 177.10 172.39 2jwy n GLN 19 N 8.89 2.24 -1.34 -0.60 6.02 -1.26 -5.10 117.38 126.23 2jwy n GLN 19 Ca 0.36 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.98 2jwy n GLN 19 Cb 0.49 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.80 2jwy n GLN 19 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2jwy n GLU 20 N -0.31 0.38 -1.65 -1.09 4.07 -1.26 -4.81 120.64 115.97 2jwy n GLU 20 Ca 0.00 0.16 -0.51 0.00 -0.06 0.00 0.00 57.16 56.76 2jwy n GLU 20 Cb 0.00 -1.74 -0.05 0.00 -0.06 0.00 0.00 31.44 29.59 2jwy n GLU 20 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2jwy n MET 21 N -0.31 1.60 -0.90 5.31 2.81 -1.26 -4.98 117.12 119.40 2jwy n MET 21 Ca 0.10 0.58 -0.16 0.00 -1.81 0.00 0.00 57.70 56.42 2jwy n MET 21 Cb 0.49 -2.30 0.12 0.00 -0.71 0.00 0.00 33.22 30.82 2jwy n MET 21 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2jwy n THR 22 N 3.52 0.00 -1.22 2.03 -2.24 -1.26 -5.05 114.28 110.06 2jwy n THR 22 Ca 0.20 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 2jwy n THR 22 Cb 0.23 -1.56 0.13 0.00 -2.10 0.00 0.00 70.33 67.03 2jwy n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jwy s GLN 23 N -4.51 1.37 0.23 -0.78 -0.21 -1.26 -5.02 119.66 109.47 2jwy s GLN 23 Ca 0.40 0.84 -0.24 0.00 0.02 0.00 0.00 55.36 56.38 2jwy s GLN 23 Cb -0.02 -1.82 -0.09 0.00 1.00 0.00 0.00 33.01 32.09 2jwy s GLN 23 CO 0.29 -2.17 0.82 -1.17 -2.12 0.00 0.00 175.29 170.94 2jwy s LEU 24 N -6.18 4.47 0.31 2.90 2.96 -1.26 -5.04 118.68 116.84 2jwy s LEU 24 Ca 0.63 1.66 -0.29 0.00 -0.22 0.00 0.00 54.13 55.91 2jwy s LEU 24 Cb -0.18 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.83 2jwy s LEU 24 CO 0.57 0.09 1.19 0.21 -1.32 0.00 0.00 176.35 177.08 2jwy s ASN 25 N -1.41 7.01 0.46 3.68 3.84 -1.26 -4.89 114.94 122.37 2jwy s ASN 25 Ca 0.42 2.44 0.12 0.00 0.21 0.00 0.00 52.86 56.05 2jwy s ASN 25 Cb -0.21 -2.63 1.06 0.00 -0.55 0.00 0.00 41.25 38.92 2jwy s ASN 25 CO 0.25 -0.34 2.08 1.56 -2.79 0.00 0.00 177.10 177.86 2jwy h GLN 26 N 3.53 0.21 -0.47 0.43 7.50 -1.98 -0.67 115.11 123.67 2jwy h GLN 26 Ca -0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 58.65 2jwy h GLN 26 Cb 1.22 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.68 2jwy h GLN 26 CO 0.66 0.18 0.27 1.49 -1.50 0.00 0.00 178.83 179.93 2jwy h GLU 27 N 0.22 0.64 -0.32 1.46 4.81 -1.92 0.49 114.58 119.96 2jwy h GLU 27 Ca 0.06 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2jwy h GLU 27 Cb 0.04 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2jwy h GLU 27 CO -0.01 0.49 -0.10 1.15 -0.73 0.00 0.00 179.01 179.81 2jwy h THR 28 N 0.62 1.23 -0.88 0.32 2.02 -1.61 -1.62 112.91 113.00 2jwy h THR 28 Ca 0.17 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.37 2jwy h THR 28 Cb 0.02 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2jwy h THR 28 CO -0.03 0.33 0.58 0.58 0.37 0.00 0.00 175.52 177.35 2jwy h VAL 29 N 0.50 1.22 -0.03 3.16 2.07 -0.51 -1.55 116.25 121.11 2jwy h VAL 29 Ca 0.10 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 2jwy h VAL 29 Cb 0.47 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jwy h VAL 29 CO 0.03 0.21 -0.42 0.11 0.02 0.00 0.00 177.57 177.52 2jwy h LYS 30 N 1.18 0.06 0.13 1.57 6.56 -0.26 -0.40 116.57 125.41 2jwy h LYS 30 Ca 0.32 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.88 2jwy h LYS 30 Cb -0.12 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.54 2jwy h LYS 30 CO -0.07 0.47 -0.06 0.82 -2.06 0.00 0.00 179.45 178.55 2jwy h ILE 31 N 0.05 0.91 -0.50 1.86 2.04 -0.38 0.21 117.51 121.71 2jwy h ILE 31 Ca 0.00 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.73 2jwy h ILE 31 Cb 0.77 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2jwy h ILE 31 CO 0.06 0.04 0.30 0.74 0.00 0.00 0.00 178.15 179.28 2jwy h THR 32 N -0.25 1.06 -0.56 -0.27 2.02 -1.26 -0.62 112.91 113.03 2jwy h THR 32 Ca -0.02 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 67.02 2jwy h THR 32 Cb 0.20 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.96 2jwy h THR 32 CO 0.03 0.11 0.25 -0.61 0.37 0.00 0.00 175.52 175.67 2jwy h GLN 33 N 0.60 0.47 0.38 6.66 4.15 -0.90 -0.47 115.11 125.99 2jwy h GLN 33 Ca 0.20 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 2jwy h GLN 33 Cb 0.01 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2jwy h GLN 33 CO -0.08 0.31 -0.18 0.37 -1.93 0.00 0.00 178.83 177.31 2jwy h GLN 34 N 0.48 -0.49 -0.61 1.69 4.15 -0.24 -2.40 115.11 117.68 2jwy h GLN 34 Ca 0.26 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.73 2jwy h GLN 34 Cb 0.23 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2jwy h GLN 34 CO -0.22 -0.24 0.41 -0.91 -1.93 0.00 0.00 178.83 175.94 2jwy h ASN 35 N -0.66 0.67 -0.10 -0.69 2.35 -0.94 0.99 115.58 117.19 2jwy h ASN 35 Ca -0.05 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2jwy h ASN 35 Cb 0.48 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2jwy h ASN 35 CO 0.08 0.47 0.02 0.03 -1.65 0.00 0.00 177.43 176.39 2jwy h ARG 36 N 0.78 0.16 -0.85 0.81 3.08 -1.06 -0.96 114.38 116.34 2jwy h ARG 36 Ca 0.23 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.27 2jwy h ARG 36 Cb -0.02 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2jwy h ARG 36 CO -0.06 0.36 0.55 -0.07 -1.07 0.00 0.00 179.97 179.68 2jwy h LEU 37 N -0.06 0.93 -0.70 3.04 3.38 -0.89 -0.56 115.31 120.45 2jwy h LEU 37 Ca 0.03 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2jwy h LEU 37 Cb 0.27 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2jwy h LEU 37 CO 0.00 0.65 0.41 -1.13 0.09 0.00 0.00 178.44 178.46 2jwy h ASN 38 N 1.09 0.63 0.38 -0.43 -0.73 -0.65 -0.46 115.58 115.40 2jwy h ASN 38 Ca 0.33 0.02 -0.18 0.00 1.87 0.00 0.00 56.30 58.35 2jwy h ASN 38 Cb -0.03 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 2jwy h ASN 38 CO -0.10 0.41 -0.73 0.00 -0.37 0.00 0.00 177.43 176.64 2jwy h ALA 39 N 1.35 0.65 -0.00 1.57 0.00 -0.71 -3.18 119.26 118.95 2jwy h ALA 39 Ca 0.31 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jwy h ALA 39 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jwy h ALA 39 CO -0.17 0.79 -0.16 1.63 0.00 0.00 0.00 179.25 181.34 2jwy n LYS 40 N -3.80 0.28 -3.78 0.00 5.02 -0.26 -4.76 118.16 110.87 2jwy n LYS 40 Ca -0.04 -0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 55.80 2jwy n LYS 40 Cb 0.71 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 2jwy n LYS 40 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jwy s SER 41 N -2.78 4.99 -0.10 4.39 0.15 -0.21 -4.98 113.70 115.15 2jwy s SER 41 Ca 0.20 -0.32 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 2jwy s SER 41 Cb 0.19 -1.89 -0.27 0.00 -1.71 0.00 0.00 66.02 62.34 2jwy s SER 41 CO 0.55 -0.06 0.66 0.77 1.20 0.00 0.00 173.24 176.36 2jwy h SER 42 N 8.22 0.30 -0.66 5.45 4.64 -1.85 -3.42 113.55 126.23 2jwy h SER 42 Ca -0.38 -0.87 -0.45 0.00 -0.47 0.00 0.00 61.79 59.62 2jwy h SER 42 Cb 1.16 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 2jwy h SER 42 CO 0.59 1.43 1.42 -0.44 -0.87 0.00 0.00 176.83 178.96 2jwy s SER 43 N -6.86 5.70 0.00 4.97 0.01 -1.26 -4.84 113.70 111.42 2jwy s SER 43 Ca -0.19 -1.81 0.00 0.00 1.31 0.00 0.00 55.95 55.27 2jwy s SER 43 Cb 0.02 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2jwy s SER 43 CO 0.75 -2.35 0.00 0.61 0.41 0.00 0.00 173.24 172.66 2jwy n GLY 44 N 5.85 -2.14 3.31 3.44 0.00 -1.26 -4.91 105.19 109.48 2jwy n GLY 44 Ca 0.45 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.17 2.00 -0.09 1.61 -7.23 -0.07 -4.84 120.40 111.61 2jwy s VAL 45 Ca 0.00 -1.24 -0.16 0.00 -1.81 0.00 0.00 61.98 58.77 2jwy s VAL 45 Cb 0.00 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 2jwy s VAL 45 CO 0.00 0.41 0.40 -0.31 -0.31 0.00 0.00 175.10 175.29 2jwy s TYR 46 N -0.72 3.57 -0.02 2.82 1.51 -1.26 -1.19 117.35 122.06 2jwy s TYR 46 Ca 0.10 0.83 0.05 0.00 -1.01 0.00 0.00 57.07 57.04 2jwy s TYR 46 Cb -0.10 -2.40 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 2jwy s TYR 46 CO 0.01 0.35 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.14 2jwy s LEU 47 N 0.00 1.98 -0.08 -1.29 1.43 0.64 -4.65 118.68 116.72 2jwy s LEU 47 Ca 0.22 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2jwy s LEU 47 Cb -0.15 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2jwy s LEU 47 CO 0.09 0.17 -0.11 -0.76 0.23 0.00 0.00 176.35 175.98 2jwy s LEU 48 N -0.22 2.90 0.37 1.79 1.43 -1.26 -0.38 118.68 123.32 2jwy s LEU 48 Ca 0.03 -0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.08 2jwy s LEU 48 Cb -0.08 -1.62 0.73 0.00 0.03 0.00 0.00 46.19 45.25 2jwy s LEU 48 CO 0.00 0.31 1.85 -0.65 0.23 0.00 0.00 176.35 178.08 2jwy h PRO 49 N 5.64 0.09 0.00 1.29 0.11 -1.85 -2.96 132.00 134.32 2jwy h PRO 49 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jwy h PRO 49 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jwy h PRO 49 CO 0.53 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.11 2jwy n GLY 50 N -0.57 -1.00 2.70 -0.55 0.00 -1.26 -4.45 105.19 100.06 2jwy n GLY 50 Ca -0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 2jwy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwy s ALA 51 N -2.80 -0.18 -0.89 4.61 0.00 -1.12 -4.70 121.76 116.68 2jwy s ALA 51 Ca 0.12 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.14 2jwy s ALA 51 Cb 0.12 -1.77 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 2jwy s ALA 51 CO 0.30 -1.82 2.12 -1.59 0.00 0.00 0.00 175.76 174.77 2jwy s LYS 52 N 2.03 2.14 0.04 0.00 0.00 -1.26 -4.61 119.74 118.08 2jwy s LYS 52 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 55.97 56.02 2jwy s LYS 52 Cb -0.15 -4.97 -0.03 0.00 0.00 0.00 0.00 37.83 32.68 2jwy s LYS 52 CO -0.25 -3.92 -0.06 0.95 0.00 0.00 0.00 175.35 172.07 2jwy s THR 53 N 12.20 0.45 0.60 3.79 -4.23 -1.26 -4.90 115.64 122.29 2jwy s THR 53 Ca 0.79 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.03 2jwy s THR 53 Cb -0.08 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 2jwy s THR 53 CO 0.04 -0.48 1.00 -2.16 -0.54 0.00 0.00 174.62 172.48 2jwy s PRO 54 N -1.88 3.61 -0.06 3.99 0.04 -1.26 -3.86 135.00 135.58 2jwy s PRO 54 Ca -0.08 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 2jwy s PRO 54 Cb -0.08 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2jwy s PRO 54 CO -0.01 -0.51 0.28 0.00 0.04 0.00 0.00 177.00 176.79 2jwy s ALA 55 N -3.10 -0.69 -0.25 8.56 0.00 0.57 -4.97 121.76 121.88 2jwy s ALA 55 Ca 0.54 0.52 -0.26 0.00 0.00 0.00 0.00 51.96 52.77 2jwy s ALA 55 Cb -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2jwy s ALA 55 CO 0.52 -0.19 0.89 0.50 0.00 0.00 0.00 175.76 177.47 2jwy s ARG 56 N -0.57 4.18 -0.22 0.00 3.52 -1.26 -1.00 118.95 123.60 2jwy s ARG 56 Ca -0.07 1.02 -0.03 0.00 -0.13 0.00 0.00 55.73 56.52 2jwy s ARG 56 Cb -0.04 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 2jwy s ARG 56 CO 0.02 -0.58 -0.07 -1.17 -0.81 0.00 0.00 175.30 172.69 2jwy s LEU 57 N 2.98 2.78 -0.42 -0.88 2.96 0.96 -4.97 118.68 122.10 2jwy s LEU 57 Ca 0.37 -0.50 -0.20 0.00 -0.22 0.00 0.00 54.13 53.59 2jwy s LEU 57 Cb -0.15 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.88 2jwy s LEU 57 CO 0.08 -0.03 0.61 -0.70 -1.32 0.00 0.00 176.35 174.99 2jwy s GLU 58 N 1.43 3.31 0.24 1.98 2.12 -1.26 -1.73 118.70 124.78 2jwy s GLU 58 Ca 0.05 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.02 2jwy s GLU 58 Cb -0.14 -3.93 0.01 0.00 0.26 0.00 0.00 34.13 30.33 2jwy s GLU 58 CO -0.05 -0.94 0.08 -1.13 -0.54 0.00 0.00 175.26 172.67 2jwy n SER 59 N 6.12 2.27 0.20 -1.70 3.41 -0.10 -5.00 113.62 118.82 2jwy n SER 59 Ca -0.03 -1.93 0.08 0.00 -0.26 0.00 0.00 58.87 56.73 2jwy n SER 59 Cb 0.48 0.08 0.37 0.00 -0.26 0.00 0.00 64.21 64.89 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 -1.96 -2.92 115.11 118.75 2jwy h GLN 60 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2jwy h GLN 60 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2jwy h GLN 60 CO 0.28 0.30 -0.40 0.44 -0.67 0.00 0.00 178.83 178.78 2jwy n ILE 61 N -3.42 0.00 0.00 2.54 -5.35 -1.26 -5.03 119.36 106.84 2jwy n ILE 61 Ca 0.00 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2jwy n ILE 61 Cb 0.49 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 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 1.41 0.80 3.65 3.28 0.00 -1.11 -5.04 105.19 108.19 2jwy n GLY 62 Ca 0.09 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.63 5.09 0.16 2.61 2.01 -1.26 -0.93 115.64 121.70 2jwy s THR 63 Ca 0.00 0.95 0.01 0.00 0.31 0.00 0.00 61.69 62.96 2jwy s THR 63 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2jwy s THR 63 CO 0.00 0.15 0.00 -1.48 -0.69 0.00 0.00 174.62 172.60 2jwy s LEU 64 N 1.82 2.11 -0.20 4.42 0.05 -0.71 -1.63 118.68 124.54 2jwy s LEU 64 Ca 0.24 -1.17 0.01 0.00 0.05 0.00 0.00 54.13 53.26 2jwy s LEU 64 Cb -0.15 -0.02 0.04 0.00 -2.05 0.00 0.00 46.19 44.01 2jwy s LEU 64 CO 0.09 -0.58 -0.11 -0.60 -0.55 0.00 0.00 176.35 174.61 2jwy s ARG 65 N -3.92 2.06 -0.03 1.48 3.52 0.97 -0.03 118.95 123.01 2jwy s ARG 65 Ca 0.23 -0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 54.91 2jwy s ARG 65 Cb 0.06 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.97 2jwy s ARG 65 CO 0.03 -0.43 0.22 -1.64 -0.81 0.00 0.00 175.30 172.68 2jwy s MET 66 N 1.38 3.53 -0.01 5.12 -1.94 -0.17 0.17 119.30 127.39 2jwy s MET 66 Ca -0.01 -0.12 -0.01 0.00 -1.71 0.00 0.00 55.69 53.83 2jwy s MET 66 Cb -0.16 -3.12 -0.00 0.00 2.01 0.00 0.00 34.83 33.55 2jwy s MET 66 CO -0.08 0.69 0.03 -1.54 -0.01 0.00 0.00 175.02 174.11 2jwy s SER 67 N -1.53 0.02 -0.25 3.03 1.04 0.25 -0.31 113.70 115.94 2jwy s SER 67 Ca 0.24 -0.06 -0.13 0.00 0.48 0.00 0.00 55.95 56.48 2jwy s SER 67 Cb -0.13 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 2jwy s SER 67 CO 0.13 -0.10 0.27 -0.76 0.98 0.00 0.00 173.24 173.76 2jwy s LEU 68 N -0.39 4.07 0.18 2.42 1.43 -1.25 -1.07 118.68 124.07 2jwy s LEU 68 Ca -0.04 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2jwy s LEU 68 Cb -0.03 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 2jwy s LEU 68 CO -0.00 -0.06 -0.04 0.68 0.23 0.00 0.00 176.35 177.16 2jwy s VAL 69 N 1.59 0.95 -1.62 -1.59 -7.23 -0.85 -4.16 120.40 107.49 2jwy s VAL 69 Ca 0.11 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2jwy s VAL 69 Cb -0.15 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2jwy s VAL 69 CO 0.08 -0.54 0.42 0.59 -0.31 0.00 0.00 175.10 175.34 2jwy n ASN 70 N -0.27 -6.05 -4.58 4.85 3.02 -1.26 -0.46 115.26 110.50 2jwy n ASN 70 Ca -0.08 -0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 53.86 2jwy n ASN 70 Cb 0.62 -4.93 -0.03 0.00 -0.61 0.00 0.00 39.78 34.84 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 -3.13 3.61 0.05 2.41 1.01 -1.26 -4.31 121.20 119.57 2jwy s ILE 71 Ca 0.21 0.55 0.03 0.00 0.00 0.00 0.00 60.65 61.43 2jwy s ILE 71 Cb -0.09 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2jwy s ILE 71 CO 0.26 -0.79 -0.09 0.42 0.00 0.00 0.00 174.94 174.73 2jwy s THR 72 N 6.94 0.63 0.50 2.92 -4.23 -0.32 -5.01 115.64 117.06 2jwy s THR 72 Ca 0.66 -1.10 -0.21 0.00 -1.18 0.00 0.00 61.69 59.86 2jwy s THR 72 Cb -0.15 -0.68 -0.07 0.00 1.34 0.00 0.00 72.50 72.94 2jwy s THR 72 CO 0.28 -0.35 1.11 -2.16 -0.54 0.00 0.00 174.62 172.96 2jwy s PRO 73 N -1.58 3.62 0.27 3.99 0.04 -1.26 -0.73 135.00 139.34 2jwy s PRO 73 Ca -0.09 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.54 2jwy s PRO 73 Cb -0.10 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 2jwy s PRO 73 CO 0.01 -0.62 0.03 -3.47 0.04 0.00 0.00 177.00 172.98 2jwy n ASP 74 N -0.94 2.26 -0.02 6.66 2.03 0.58 -4.72 116.55 122.39 2jwy n ASP 74 Ca 0.10 -2.25 -0.16 0.00 0.52 0.00 0.00 54.79 52.99 2jwy n ASP 74 Cb 0.51 0.33 -0.11 0.00 -0.72 0.00 0.00 41.12 41.13 2jwy n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwy h ALA 75 N 1.22 0.08 0.00 -1.67 0.00 -1.98 -3.36 119.26 113.56 2jwy h ALA 75 Ca -0.22 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 2jwy h ALA 75 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2jwy h ALA 75 CO 0.36 0.21 -1.50 -0.40 0.00 0.00 0.00 179.25 177.92 2jwy n ASP 76 N -4.38 0.66 0.00 0.00 5.68 -1.26 -5.03 116.55 112.22 2jwy n ASP 76 Ca -0.09 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 2jwy n ASP 76 Cb 0.56 0.53 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 2jwy n ASP 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jwy n GLY 77 N 1.37 1.50 2.80 6.12 0.00 -1.24 -0.50 105.19 115.24 2jwy n GLY 77 Ca -0.09 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 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 2.22 -0.02 -0.21 2.61 2.01 0.59 -0.31 115.64 122.53 2jwy s THR 78 Ca 0.00 0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.11 2jwy s THR 78 Cb 0.00 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.40 2jwy s THR 78 CO 0.00 0.08 0.00 0.42 -0.69 0.00 0.00 174.62 174.43 2jwy s THR 79 N 0.84 3.93 0.03 -0.82 -4.23 0.09 -0.23 115.64 115.25 2jwy s THR 79 Ca -0.07 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 2jwy s THR 79 Cb -0.10 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 2jwy s THR 79 CO -0.02 0.41 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.95 2jwy s LEU 80 N 1.14 2.29 -0.42 4.79 0.05 -0.23 -1.18 118.68 125.13 2jwy s LEU 80 Ca 0.03 -0.60 -0.22 0.00 0.05 0.00 0.00 54.13 53.39 2jwy s LEU 80 Cb -0.14 0.06 0.02 0.00 -2.05 0.00 0.00 46.19 44.07 2jwy s LEU 80 CO 0.01 -0.33 0.69 -0.89 -0.55 0.00 0.00 176.35 175.28 2jwy s THR 81 N -1.90 4.78 -0.49 5.48 2.01 0.39 -0.40 115.64 125.50 2jwy s THR 81 Ca -0.10 0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.99 2jwy s THR 81 Cb -0.07 -4.22 0.03 0.00 0.01 0.00 0.00 72.50 68.26 2jwy s THR 81 CO -0.02 -0.58 0.85 -0.22 -0.69 0.00 0.00 174.62 173.96 2jwy s LEU 82 N 2.97 4.21 -0.17 4.42 1.98 -0.23 -2.01 118.68 129.84 2jwy s LEU 82 Ca 0.26 -0.20 -0.11 0.00 -2.89 0.00 0.00 54.13 51.19 2jwy s LEU 82 Cb -0.13 -2.93 -0.05 0.00 0.66 0.00 0.00 46.19 43.74 2jwy s LEU 82 CO 0.19 -1.03 0.19 -0.13 -1.89 0.00 0.00 176.35 173.68 2jwy s ARG 83 N 3.53 4.11 -0.47 1.98 0.52 -0.24 -2.07 118.95 126.31 2jwy s ARG 83 Ca 0.30 -0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.40 2jwy s ARG 83 Cb -0.12 -3.39 0.13 0.00 0.52 0.00 0.00 34.95 32.09 2jwy s ARG 83 CO 0.22 0.35 0.26 0.42 0.02 0.00 0.00 175.30 176.57 2jwy s ILE 84 N 0.18 3.27 -0.59 1.52 1.09 0.27 -0.59 121.20 126.36 2jwy s ILE 84 Ca 0.12 -2.44 -0.23 0.00 -1.10 0.00 0.00 60.65 56.99 2jwy s ILE 84 Cb -0.12 -3.22 0.05 0.00 -1.06 0.00 0.00 42.46 38.11 2jwy s ILE 84 CO 0.01 -0.75 0.93 -1.10 -0.10 0.00 0.00 174.94 173.93 2jwy s GLN 85 N 0.66 3.24 0.15 2.79 1.11 0.13 -0.87 119.66 126.87 2jwy s GLN 85 Ca 0.12 -0.50 -0.31 0.00 0.01 0.00 0.00 55.36 54.68 2jwy s GLN 85 Cb -0.22 -4.12 -0.08 0.00 -1.01 0.00 0.00 33.01 27.58 2jwy s GLN 85 CO -0.04 -1.59 1.37 0.20 0.01 0.00 0.00 175.29 175.24 2jwy s GLY 86 N 3.12 2.14 0.45 3.09 0.00 0.21 -0.02 107.32 116.31 2jwy s GLY 86 Ca 0.26 1.14 0.23 0.00 0.00 0.00 0.00 44.72 46.35 2jwy s GLY 86 CO 0.16 2.26 1.90 0.83 0.00 0.00 0.00 173.10 178.25 2jwy h GLU 87 N 6.22 0.00 -6.26 2.90 4.39 -1.64 -3.41 114.58 116.79 2jwy h GLU 87 Ca -0.43 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.69 2jwy h GLU 87 Cb 1.21 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.80 2jwy h GLU 87 CO 0.83 0.24 0.86 -1.12 -1.16 0.00 0.00 179.01 178.65 2jwy s SER 88 N -6.32 6.94 -0.00 1.42 0.01 -1.25 -4.93 113.70 109.55 2jwy s SER 88 Ca -0.01 1.19 -0.01 0.00 1.31 0.00 0.00 55.95 58.43 2jwy s SER 88 Cb 0.12 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2jwy s SER 88 CO 0.64 -0.85 2.17 0.59 0.41 0.00 0.00 173.24 176.20 2jwy n ASN 89 N 6.83 5.34 -4.23 2.44 3.02 -1.26 -4.45 115.26 122.95 2jwy n ASN 89 Ca 0.12 -2.42 -0.18 0.00 -0.03 0.00 0.00 54.58 52.08 2jwy n ASN 89 Cb 0.47 -1.16 -0.11 0.00 -0.61 0.00 0.00 39.78 38.36 2jwy n ASN 89 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2jwy s ASP 90 N 2.00 1.95 -0.26 6.41 1.01 -1.26 -4.62 116.67 121.90 2jwy s ASP 90 Ca 0.07 -0.79 -0.28 0.00 0.71 0.00 0.00 52.55 52.26 2jwy s ASP 90 Cb 0.03 -0.06 -0.06 0.00 1.01 0.00 0.00 42.92 43.84 2jwy s ASP 90 CO -0.00 -0.14 2.25 -0.81 0.21 0.00 0.00 175.17 176.68 2jwy n PRO 91 N 0.61 1.79 -3.01 8.23 -0.04 -1.26 -4.31 135.00 137.01 2jwy n PRO 91 Ca -0.16 0.46 -0.32 0.00 -0.04 0.00 0.00 63.50 63.43 2jwy n PRO 91 Cb 0.57 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 2jwy n PRO 91 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jwy s LEU 92 N 8.67 3.98 0.69 1.53 1.43 -0.99 -4.91 118.68 129.09 2jwy s LEU 92 Ca 1.02 1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 2jwy s LEU 92 Cb -0.36 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 41.71 2jwy s LEU 92 CO 0.35 -0.28 1.06 -2.16 0.23 0.00 0.00 176.35 175.55 2jwy s PRO 93 N -3.21 2.95 0.28 1.29 0.04 -1.26 -1.11 135.00 133.97 2jwy s PRO 93 Ca 0.55 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 2jwy s PRO 93 Cb -0.10 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 2jwy s PRO 93 CO 0.20 -1.09 1.40 0.00 0.04 0.00 0.00 177.00 177.55 2jwy s ALA 94 N -3.01 3.58 0.17 8.56 0.00 -1.26 -4.54 121.76 125.26 2jwy s ALA 94 Ca 0.58 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.89 2jwy s ALA 94 Cb -0.14 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2jwy s ALA 94 CO 0.54 -0.73 -0.02 -0.59 0.00 0.00 0.00 175.76 174.95 2jwy s PHE 95 N -0.40 1.24 -0.03 0.00 -0.71 -1.14 -2.31 117.98 114.63 2jwy s PHE 95 Ca 0.56 -0.94 0.01 0.00 -1.04 0.00 0.00 56.93 55.52 2jwy s PHE 95 Cb -0.41 -0.70 0.01 0.00 -1.21 0.00 0.00 43.02 40.71 2jwy s PHE 95 CO 0.47 -0.12 -0.05 -1.54 -1.34 0.00 0.00 175.22 172.64 2jwy s SER 96 N -3.18 0.85 0.21 1.98 1.04 0.44 -1.31 113.70 113.73 2jwy s SER 96 Ca 0.22 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.55 2jwy s SER 96 Cb 0.05 -0.33 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 2jwy s SER 96 CO 0.03 -0.01 0.02 -0.83 0.98 0.00 0.00 173.24 173.43 2jwy s GLY 97 N 0.58 1.42 -0.20 7.32 0.00 -0.29 -0.92 107.32 115.23 2jwy s GLY 97 Ca -0.07 -1.70 -0.05 0.00 0.00 0.00 0.00 44.72 42.90 2jwy s GLY 97 CO 0.00 -1.57 -0.00 -1.59 0.00 0.00 0.00 173.10 169.93 2jwy s THR 98 N -3.63 3.94 -0.27 0.90 2.01 0.29 -0.31 115.64 118.56 2jwy s THR 98 Ca 0.28 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 2jwy s THR 98 Cb 0.06 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 2jwy s THR 98 CO 0.07 0.43 0.09 0.54 -0.69 0.00 0.00 174.62 175.06 2jwy s VAL 99 N 0.97 4.30 -0.39 3.82 0.11 -0.10 -1.84 120.40 127.28 2jwy s VAL 99 Ca 0.01 -0.30 -0.22 0.00 -2.93 0.00 0.00 61.98 58.54 2jwy s VAL 99 Cb -0.14 -3.08 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 2jwy s VAL 99 CO 0.02 0.25 0.72 -1.61 -3.33 0.00 0.00 175.10 171.14 2jwy s GLU 100 N 1.60 3.61 -0.10 1.54 0.41 0.82 -1.72 118.70 124.85 2jwy s GLU 100 Ca 0.05 0.06 0.03 0.00 -0.41 0.00 0.00 54.97 54.71 2jwy s GLU 100 Cb -0.16 -3.85 0.01 0.00 -1.78 0.00 0.00 34.13 28.35 2jwy s GLU 100 CO 0.04 -0.88 -0.20 1.52 -0.49 0.00 0.00 175.26 175.25 2jwy s TYR 101 N 2.97 2.23 0.00 1.61 1.13 -0.06 -0.22 117.35 125.00 2jwy s TYR 101 Ca 0.28 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.99 2jwy s TYR 101 Cb -0.14 -1.53 0.00 0.00 -1.10 0.00 0.00 41.96 39.19 2jwy s TYR 101 CO 0.17 -0.42 0.00 0.41 -2.51 0.00 0.00 175.55 173.21 2jwy n GLY 102 N 3.76 2.88 3.28 5.49 0.00 -1.02 -1.91 105.19 117.66 2jwy n GLY 102 Ca -0.20 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 3.34 1.14 -0.19 1.61 -0.21 0.20 0.01 119.66 125.56 2jwy s GLN 103 Ca 0.00 -1.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.01 2jwy s GLN 103 Cb 0.00 -1.01 0.01 0.00 1.00 0.00 0.00 33.01 33.01 2jwy s GLN 103 CO 0.00 0.19 -0.13 0.42 -2.12 0.00 0.00 175.29 173.64 2jwy s ILE 104 N -2.40 2.64 -0.10 1.08 1.01 -1.26 -1.43 121.20 120.74 2jwy s ILE 104 Ca 0.14 -0.75 0.12 0.00 0.00 0.00 0.00 60.65 60.16 2jwy s ILE 104 Cb -0.03 -2.15 -0.24 0.00 0.01 0.00 0.00 42.46 40.05 2jwy s ILE 104 CO 0.04 0.49 0.45 0.00 0.00 0.00 0.00 174.94 175.93 2jwy n GLN 105 N 4.59 0.66 0.00 2.79 10.64 -1.24 -5.01 117.38 129.81 2jwy n GLN 105 Ca -0.20 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2jwy n GLN 105 Cb 0.51 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 28.18 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 1.66 1.14 1.48 2.61 0.00 -1.26 -4.96 105.19 105.86 2jwy n GLY 106 Ca -0.23 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 0.00 1.59 2.61 -2.24 0.29 -4.83 114.28 111.70 2jwy n THR 107 Ca 0.00 -0.61 0.15 0.00 -2.27 0.00 0.00 64.05 61.32 2jwy n THR 107 Cb 0.00 -1.17 0.74 0.00 -2.10 0.00 0.00 70.33 67.80 2jwy n THR 107 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2jwy n ILE 108 N -1.91 0.00 -0.07 2.28 2.08 -1.26 -3.72 119.36 116.76 2jwy n ILE 108 Ca 0.06 -0.04 -0.10 0.00 0.56 0.00 0.00 62.75 63.23 2jwy n ILE 108 Cb 0.23 -0.26 -0.07 0.00 -0.75 0.00 0.00 39.64 38.78 2jwy n ILE 108 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2jwy n ASP 109 N -0.96 2.84 -3.68 4.38 8.00 -1.26 -4.86 116.55 121.02 2jwy n ASP 109 Ca 0.17 -0.07 -0.29 0.00 0.71 0.00 0.00 54.79 55.31 2jwy n ASP 109 Cb 0.23 -0.14 -0.15 0.00 -0.02 0.00 0.00 41.12 41.03 2jwy n ASP 109 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jwy s ASN 110 N -5.30 3.62 0.01 -2.24 4.22 -1.24 -5.13 114.94 108.88 2jwy s ASN 110 Ca -0.18 -1.35 -0.03 0.00 -2.14 0.00 0.00 52.86 49.17 2jwy s ASN 110 Cb 0.05 -0.65 -0.01 0.00 1.28 0.00 0.00 41.25 41.92 2jwy s ASN 110 CO 0.34 -0.40 0.04 0.72 -2.04 0.00 0.00 177.10 175.76 2jwy s PHE 111 N 1.81 0.14 -0.18 1.54 -0.71 -1.25 -0.55 117.98 118.79 2jwy s PHE 111 Ca 0.07 -0.31 -0.04 0.00 -1.04 0.00 0.00 56.93 55.61 2jwy s PHE 111 Cb -0.17 -0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.50 2jwy s PHE 111 CO -0.24 -0.20 -0.02 -0.65 -1.34 0.00 0.00 175.22 172.76 2jwy s GLN 112 N -1.24 3.59 -0.51 1.99 -0.21 -1.26 -4.89 119.66 117.13 2jwy s GLN 112 Ca -0.13 -0.54 -0.28 0.00 0.02 0.00 0.00 55.36 54.43 2jwy s GLN 112 Cb -0.08 -2.99 -0.00 0.00 1.00 0.00 0.00 33.01 30.94 2jwy s GLN 112 CO 0.00 0.07 1.61 -1.21 -2.12 0.00 0.00 175.29 173.64 2jwy s GLU 113 N 0.82 3.17 0.14 2.91 2.02 -1.26 -3.64 118.70 122.85 2jwy s GLU 113 Ca -0.00 0.74 0.06 0.00 0.02 0.00 0.00 54.97 55.79 2jwy s GLU 113 Cb -0.14 -4.20 -0.04 0.00 0.10 0.00 0.00 34.13 29.85 2jwy s GLU 113 CO 0.02 -2.08 -0.01 0.96 0.02 0.00 0.00 175.26 174.17 2jwy s ILE 114 N 6.93 3.82 -1.61 -1.63 -4.36 -0.51 -4.59 121.20 119.24 2jwy s ILE 114 Ca 0.63 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.78 2jwy s ILE 114 Cb -0.14 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.70 2jwy s ILE 114 CO 0.26 -0.00 0.00 0.59 0.24 0.00 0.00 174.94 176.03 2jwy n ASN 115 N 0.20 -5.36 -4.56 4.36 3.02 -1.26 -0.63 115.26 111.03 2jwy n ASN 115 Ca -0.10 0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.09 2jwy n ASN 115 Cb 0.54 -4.50 -0.08 0.00 -0.61 0.00 0.00 39.78 35.13 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 -2.91 5.09 0.42 2.41 0.11 -1.26 -4.41 120.40 119.84 2jwy s VAL 116 Ca 0.00 0.26 0.07 0.00 -2.93 0.00 0.00 61.98 59.37 2jwy s VAL 116 Cb 0.00 -3.89 -0.06 0.00 -1.53 0.00 0.00 36.38 30.90 2jwy s VAL 116 CO 0.00 -0.14 0.08 0.00 -3.33 0.00 0.00 175.10 171.71 2jwy s GLN 117 N 2.22 2.08 0.27 1.54 0.00 -0.80 -4.90 119.66 120.06 2jwy s GLN 117 Ca 0.16 -2.05 0.08 0.00 -0.00 0.00 0.00 55.36 53.56 2jwy s GLN 117 Cb -0.16 -1.75 -0.05 0.00 0.00 0.00 0.00 33.01 31.04 2jwy s GLN 117 CO 0.12 -0.11 -0.11 0.54 0.00 0.00 0.00 175.29 175.72 2jwy s ASN 118 N -3.80 3.03 0.02 12.60 2.20 -1.26 -0.88 114.94 126.85 2jwy s ASN 118 Ca 0.34 -1.12 -0.06 0.00 -0.94 0.00 0.00 52.86 51.08 2jwy s ASN 118 Cb 0.07 -0.22 -0.00 0.00 -2.00 0.00 0.00 41.25 39.10 2jwy s ASN 118 CO 0.18 -0.20 0.11 -1.58 -2.94 0.00 0.00 177.10 172.68 2jwy s GLN 119 N -3.64 0.53 -0.31 3.55 0.74 -0.70 -4.96 119.66 114.87 2jwy s GLN 119 Ca 0.28 -0.57 -0.20 0.00 0.05 0.00 0.00 55.36 54.92 2jwy s GLN 119 Cb 0.01 0.21 -0.01 0.00 1.10 0.00 0.00 33.01 34.32 2jwy s GLN 119 CO 0.12 -0.13 0.62 -0.51 -0.55 0.00 0.00 175.29 174.84 2jwy s LEU 120 N -1.74 4.16 -0.47 3.68 1.43 -1.26 -0.92 118.68 123.56 2jwy s LEU 120 Ca -0.10 0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 2jwy s LEU 120 Cb -0.05 -2.80 0.09 0.00 0.03 0.00 0.00 46.19 43.47 2jwy s LEU 120 CO -0.01 -0.48 0.37 0.27 0.23 0.00 0.00 176.35 176.73 2jwy s ILE 121 N 2.60 4.80 -0.31 -0.59 -4.36 0.57 -4.94 121.20 118.97 2jwy s ILE 121 Ca 0.25 -1.36 -0.08 0.00 -0.26 0.00 0.00 60.65 59.19 2jwy s ILE 121 Cb -0.15 -3.98 0.00 0.00 1.25 0.00 0.00 42.46 39.59 2jwy s ILE 121 CO 0.12 -0.66 0.13 0.20 0.24 0.00 0.00 174.94 174.97 2jwy s ASN 122 N 2.71 5.38 -0.04 4.36 -0.87 -1.26 -1.13 114.94 124.09 2jwy s ASN 122 Ca 0.04 -0.64 -0.13 0.00 -1.57 0.00 0.00 52.86 50.56 2jwy s ASN 122 Cb -0.26 -1.95 -0.05 0.00 -0.02 0.00 0.00 41.25 38.97 2jwy s ASN 122 CO 0.03 -0.21 0.34 0.00 -2.57 0.00 0.00 177.10 174.70 2jwy s ALA 123 N 1.56 3.73 1.19 0.60 0.00 -0.43 -5.00 121.76 123.41 2jwy s ALA 123 Ca 0.04 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 2jwy s ALA 123 Cb -0.17 -2.29 0.29 0.00 0.00 0.00 0.00 23.12 20.95 2jwy s ALA 123 CO 0.05 0.49 1.02 -2.14 0.00 0.00 0.00 175.76 175.18 2jwy s PRO 124 N -0.97 -1.10 0.03 0.00 0.02 -1.26 -2.90 135.00 128.82 2jwy s PRO 124 Ca 0.21 0.71 -0.30 0.00 0.02 0.00 0.00 61.00 61.64 2jwy s PRO 124 Cb -0.15 -1.54 -0.08 0.00 0.02 0.00 0.00 34.50 32.74 2jwy s PRO 124 CO 0.11 -3.81 1.89 0.00 -0.33 0.00 0.00 177.00 174.86 2jwy s ALA 125 N -2.49 3.61 -1.30 -1.55 0.00 -1.26 -4.37 121.76 114.40 2jwy s ALA 125 Ca 0.68 1.26 -0.15 0.00 0.00 0.00 0.00 51.96 53.75 2jwy s ALA 125 Cb -0.24 -3.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.05 2jwy s ALA 125 CO 0.64 -1.50 2.21 0.43 0.00 0.00 0.00 175.76 177.54 2jwy n SER 126 N 7.26 3.93 0.28 0.00 7.64 -0.27 -4.66 113.62 127.80 2jwy n SER 126 Ca 0.19 -2.77 0.18 0.00 1.01 0.00 0.00 58.87 57.48 2jwy n SER 126 Cb 0.41 -1.51 0.79 0.00 -1.01 0.00 0.00 64.21 62.90 2jwy n SER 126 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2jwy h VAL 127 N 4.02 0.00 -3.41 0.44 3.04 -1.90 -2.62 116.25 115.83 2jwy h VAL 127 Ca 0.56 -0.35 -0.55 0.00 -1.01 0.00 0.00 66.70 65.34 2jwy h VAL 127 Cb 0.61 1.32 -0.04 0.00 -2.01 0.00 0.00 31.29 31.16 2jwy h VAL 127 CO 1.89 0.00 0.11 -0.76 -1.01 0.00 0.00 177.57 177.80 2jwy s LEU 128 N -5.98 4.50 -0.11 3.16 1.43 -1.26 -4.80 118.68 115.62 2jwy s LEU 128 Ca -0.00 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 2jwy s LEU 128 Cb 0.10 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 43.17 2jwy s LEU 128 CO 0.49 0.12 -0.20 0.00 0.23 0.00 0.00 176.35 176.99 2jwy s ALA 129 N -0.53 1.98 0.62 4.21 0.00 -1.26 -2.81 121.76 123.97 2jwy s ALA 129 Ca 0.35 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 2jwy s ALA 129 Cb -0.21 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2jwy s ALA 129 CO 0.22 0.11 1.09 -1.25 0.00 0.00 0.00 175.76 175.93 2jwy s PRO 130 N 0.64 3.06 -0.87 0.00 0.04 -1.26 -5.04 135.00 131.57 2jwy s PRO 130 Ca -0.13 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.03 2jwy s PRO 130 Cb -0.16 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.49 2jwy s PRO 130 CO 0.03 -1.03 1.13 -1.12 0.04 0.00 0.00 177.00 176.05 2jwy s SER 131 N -2.62 6.49 -0.36 6.66 0.01 -1.12 -4.95 113.70 117.82 2jwy s SER 131 Ca 0.66 -1.69 0.02 0.00 1.31 0.00 0.00 55.95 56.25 2jwy s SER 131 Cb -0.19 -2.43 0.10 0.00 0.21 0.00 0.00 66.02 63.72 2jwy s SER 131 CO 0.38 -1.22 0.09 1.51 0.41 0.00 0.00 173.24 174.41 2jwy s ASP 132 N 3.81 4.90 0.19 2.44 -4.77 -1.25 -0.62 116.67 121.37 2jwy s ASP 132 Ca 0.32 -2.08 -0.18 0.00 -3.30 0.00 0.00 52.55 47.30 2jwy s ASP 132 Cb -0.07 -1.69 -0.08 0.00 -1.09 0.00 0.00 42.92 39.99 2jwy s ASP 132 CO -0.04 -0.42 0.67 -0.69 0.70 0.00 0.00 175.17 175.39 2jwy s VAL 133 N 0.98 4.65 -0.25 2.11 1.01 -0.05 -4.82 120.40 124.04 2jwy s VAL 133 Ca 0.09 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 2jwy s VAL 133 Cb -0.20 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2jwy s VAL 133 CO -0.07 0.25 -0.06 -1.81 0.00 0.00 0.00 175.10 173.42 2jwy s ASP 134 N -1.61 4.30 -0.10 3.32 1.11 -1.26 -0.56 116.67 121.87 2jwy s ASP 134 Ca 0.40 -0.85 0.02 0.00 0.18 0.00 0.00 52.55 52.30 2jwy s ASP 134 Cb -0.17 -1.66 0.01 0.00 1.07 0.00 0.00 42.92 42.17 2jwy s ASP 134 CO 0.21 -0.12 -0.15 0.27 1.18 0.00 0.00 175.17 176.56 2jwy s ILE 135 N 1.33 1.42 -0.33 0.77 -4.36 -0.88 -5.00 121.20 114.15 2jwy s ILE 135 Ca 0.00 -0.61 -0.29 0.00 -0.26 0.00 0.00 60.65 59.50 2jwy s ILE 135 Cb -0.16 -1.30 -0.01 0.00 1.25 0.00 0.00 42.46 42.24 2jwy s ILE 135 CO -0.05 0.42 1.56 -2.84 0.24 0.00 0.00 174.94 174.28 2jwy s PRO 136 N 0.90 3.59 -0.32 0.37 0.02 -1.26 -1.07 135.00 137.24 2jwy s PRO 136 Ca -0.09 1.28 -0.10 0.00 0.02 0.00 0.00 61.00 62.11 2jwy s PRO 136 Cb -0.15 -4.06 -0.01 0.00 0.02 0.00 0.00 34.50 30.30 2jwy s PRO 136 CO 0.00 -1.54 0.16 -1.17 -0.33 0.00 0.00 177.00 174.12 2jwy s LEU 137 N 5.69 4.18 -0.44 -5.54 0.20 0.46 -4.97 118.68 118.26 2jwy s LEU 137 Ca 0.68 -0.53 -0.10 0.00 0.69 0.00 0.00 54.13 54.88 2jwy s LEU 137 Cb -0.19 -2.02 0.09 0.00 -0.43 0.00 0.00 46.19 43.64 2jwy s LEU 137 CO 0.31 -0.21 0.31 -1.58 -0.29 0.00 0.00 176.35 174.89 2jwy s GLN 138 N 1.62 2.61 0.22 1.98 0.74 -1.26 -1.07 119.66 124.51 2jwy s GLN 138 Ca 0.05 -1.55 -0.30 0.00 0.05 0.00 0.00 55.36 53.61 2jwy s GLN 138 Cb -0.17 -3.87 -0.08 0.00 1.10 0.00 0.00 33.01 29.98 2jwy s GLN 138 CO 0.07 -1.04 0.98 -0.51 -0.55 0.00 0.00 175.29 174.23 2jwy s LEU 139 N 1.43 4.60 -0.07 3.68 1.43 0.68 -4.90 118.68 125.52 2jwy s LEU 139 Ca 0.04 1.98 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 2jwy s LEU 139 Cb -0.24 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 2jwy s LEU 139 CO 0.02 0.05 -0.18 -0.54 0.23 0.00 0.00 176.35 175.92 2jwy s LYS 140 N -0.96 2.74 0.00 1.70 1.02 -1.26 -0.30 119.74 122.69 2jwy s LYS 140 Ca 0.43 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.65 2jwy s LYS 140 Cb -0.27 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2jwy s LYS 140 CO 0.33 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.61 2jwy n GLY 141 N 2.85 3.26 3.31 -3.33 0.00 0.34 -4.92 105.19 106.70 2jwy n GLY 141 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.29 2.86 0.14 -0.61 2.07 -1.26 -4.97 121.20 117.14 2jwy s ILE 142 Ca 0.00 -0.71 -0.06 0.00 -1.41 0.00 0.00 60.65 58.47 2jwy s ILE 142 Cb 0.00 -2.21 -0.06 0.00 0.13 0.00 0.00 42.46 40.32 2jwy s ILE 142 CO 0.00 0.51 0.40 -0.44 -1.91 0.00 0.00 174.94 173.50 2jwy s SER 143 N 0.68 6.53 0.25 4.50 0.01 -1.26 -2.96 113.70 121.45 2jwy s SER 143 Ca -0.07 0.66 -0.03 0.00 1.31 0.00 0.00 55.95 57.82 2jwy s SER 143 Cb -0.16 -2.12 0.50 0.00 0.21 0.00 0.00 66.02 64.45 2jwy s SER 143 CO 0.02 0.06 1.71 1.62 0.41 0.00 0.00 173.24 177.06 2jwy h VAL 144 N 2.18 0.59 -0.08 3.43 3.04 -1.91 0.27 116.25 123.77 2jwy h VAL 144 Ca -0.47 -0.14 -0.10 0.00 -1.01 0.00 0.00 66.70 64.99 2jwy h VAL 144 Cb 1.17 0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 2jwy h VAL 144 CO 0.71 0.07 -0.40 -0.78 -1.01 0.00 0.00 177.57 176.17 2jwy h ASP 145 N 0.40 0.19 -0.53 3.17 3.58 -2.00 -2.67 116.42 118.56 2jwy h ASP 145 Ca 0.44 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.81 2jwy h ASP 145 Cb 0.71 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2jwy h ASP 145 CO -0.45 0.57 0.00 0.00 -2.88 0.00 0.00 179.24 176.48 2jwy n GLN 146 N -4.04 2.31 -2.88 0.28 1.13 0.19 -4.89 117.38 109.48 2jwy n GLN 146 Ca -0.01 -2.03 -0.42 0.00 -1.94 0.00 0.00 57.00 52.59 2jwy n GLN 146 Cb 0.46 -1.45 -0.04 0.00 0.11 0.00 0.00 30.24 29.31 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 -1.10 4.06 -0.11 1.08 0.20 0.71 -4.75 118.68 118.78 2jwy s LEU 147 Ca 0.38 0.62 -0.03 0.00 0.69 0.00 0.00 54.13 55.80 2jwy s LEU 147 Cb 0.20 -3.16 -0.02 0.00 -0.43 0.00 0.00 46.19 42.79 2jwy s LEU 147 CO 0.27 -0.73 0.00 1.23 -0.29 0.00 0.00 176.35 176.84 2jwy h GLY 148 N 9.73 0.00 -4.67 7.98 0.00 -0.74 -3.44 103.07 111.93 2jwy h GLY 148 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 2jwy h GLY 148 CO 0.93 0.00 -0.36 -0.11 0.00 0.00 0.00 176.54 177.00 2jwy s PHE 149 N -1.69 -0.12 -0.33 5.60 -0.71 -0.64 -4.73 117.98 115.36 2jwy s PHE 149 Ca -0.03 0.17 -0.01 0.00 -1.04 0.00 0.00 56.93 56.01 2jwy s PHE 149 Cb 0.00 0.05 0.07 0.00 -1.21 0.00 0.00 43.02 41.93 2jwy s PHE 149 CO 0.06 -0.33 0.05 0.08 -1.34 0.00 0.00 175.22 173.74 2jwy s VAL 150 N -1.22 2.98 -0.39 -2.49 1.01 0.49 -2.45 120.40 118.33 2jwy s VAL 150 Ca -0.13 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.13 2jwy s VAL 150 Cb -0.06 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.55 2jwy s VAL 150 CO 0.03 -0.29 0.21 -0.60 0.00 0.00 0.00 175.10 174.45 2jwy s ARG 151 N 1.19 2.59 -0.03 2.72 3.52 0.69 -0.26 118.95 129.38 2jwy s ARG 151 Ca -0.01 -1.38 -0.20 0.00 -0.13 0.00 0.00 55.73 54.02 2jwy s ARG 151 Cb -0.20 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 2jwy s ARG 151 CO -0.02 -0.87 0.57 0.42 -0.81 0.00 0.00 175.30 174.58 2jwy s ILE 152 N 1.41 4.97 0.24 4.11 -1.09 -0.33 -0.13 121.20 130.38 2jwy s ILE 152 Ca 0.02 1.17 -0.21 0.00 -2.23 0.00 0.00 60.65 59.40 2jwy s ILE 152 Cb -0.22 -3.90 0.06 0.00 -1.58 0.00 0.00 42.46 36.82 2jwy s ILE 152 CO 0.02 0.41 0.91 -1.38 -1.23 0.00 0.00 174.94 173.67 2jwy s HIS 153 N -0.08 -0.02 -1.45 3.97 -3.43 -0.77 -0.90 115.29 112.62 2jwy s HIS 153 Ca 0.30 -0.43 -0.02 0.00 -0.80 0.00 0.00 55.06 54.11 2jwy s HIS 153 Cb -0.18 0.72 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 2jwy s HIS 153 CO 0.16 -1.10 0.28 -0.25 -2.00 0.00 0.00 174.74 171.83 2jwy n ASP 154 N -0.93 -5.43 -4.55 7.38 9.92 -1.26 -0.55 116.55 121.13 2jwy n ASP 154 Ca -0.05 -0.14 -0.37 0.00 -0.53 0.00 0.00 54.79 53.70 2jwy n ASP 154 Cb 0.60 -4.37 -0.03 0.00 -0.64 0.00 0.00 41.12 36.68 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jwy s ILE 155 N -3.01 3.25 0.12 0.53 -1.09 -1.26 -4.23 121.20 115.51 2jwy s ILE 155 Ca 0.14 0.12 0.09 0.00 -2.23 0.00 0.00 60.65 58.76 2jwy s ILE 155 Cb -0.06 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 2jwy s ILE 155 CO 0.17 -0.63 -0.21 0.00 -1.23 0.00 0.00 174.94 173.05 2jwy s GLN 156 N 7.45 1.20 0.62 2.79 -2.07 -0.10 -3.48 119.66 126.07 2jwy s GLN 156 Ca 0.77 -1.26 -0.19 0.00 -1.82 0.00 0.00 55.36 52.87 2jwy s GLN 156 Cb -0.14 -1.43 -0.02 0.00 -1.09 0.00 0.00 33.01 30.33 2jwy s GLN 156 CO 0.21 0.32 1.28 -2.14 -1.32 0.00 0.00 175.29 173.64 2jwy s PRO 157 N -2.19 2.74 0.00 9.60 0.02 -1.26 -0.42 135.00 143.49 2jwy s PRO 157 Ca 0.10 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.14 2jwy s PRO 157 Cb -0.09 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2jwy s PRO 157 CO 0.05 -1.44 0.00 1.33 -0.33 0.00 0.00 177.00 176.61 2jwy n VAL 158 N -1.71 0.00 -1.46 3.83 0.24 -0.98 -4.73 118.33 113.53 2jwy n VAL 158 Ca 0.15 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 62.00 2jwy n VAL 158 Cb 0.48 -0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 32.05 2jwy n VAL 158 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2jwy n MET 159 N 0.00 0.43 -3.88 7.34 0.00 -1.26 -4.92 117.12 114.83 2jwy n MET 159 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 57.70 57.49 2jwy n MET 159 Cb 0.00 -2.09 -0.17 0.00 0.00 0.00 0.00 33.22 30.97 2jwy n MET 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2jwy s GLN 160 N 7.81 1.35 -0.27 3.17 0.74 -1.26 -4.99 119.66 126.20 2jwy s GLN 160 Ca 1.20 -0.34 -0.11 0.00 0.05 0.00 0.00 55.36 56.17 2jwy s GLN 160 Cb -1.00 -1.74 -0.05 0.00 1.10 0.00 0.00 33.01 31.32 2jwy s GLN 160 CO 0.47 -0.36 0.17 -0.51 -0.55 0.00 0.00 175.29 174.51 2jwy s LEU 161 N 1.71 3.95 0.13 3.68 1.02 -1.26 -5.08 118.68 122.83 2jwy s LEU 161 Ca 0.03 -0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.15 2jwy s LEU 161 Cb -0.14 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 2jwy s LEU 161 CO -0.08 -0.04 -0.00 -0.70 0.02 0.00 0.00 176.35 175.55 2jwy s GLU 162 N 1.72 0.94 -0.23 1.70 2.12 -1.26 -5.10 118.70 118.59 2jwy s GLU 162 Ca 0.07 -1.43 -0.35 0.00 0.36 0.00 0.00 54.97 53.62 2jwy s GLU 162 Cb -0.16 -0.06 -0.12 0.00 0.26 0.00 0.00 34.13 34.06 2jwy s GLU 162 CO 0.10 -0.14 2.00 1.58 -0.54 0.00 0.00 175.26 178.26 2jwy n HIS 163 N -0.12 1.99 -2.36 5.30 -0.00 -1.26 -4.90 115.22 113.87 2jwy n HIS 163 Ca -0.08 0.18 -0.43 0.00 -0.00 0.00 0.00 57.72 57.39 2jwy n HIS 163 Cb 0.63 -2.59 -0.02 0.00 -0.00 0.00 0.00 29.99 28.00 2jwy n HIS 163 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jwy s HIS 164 N 5.53 2.88 0.04 1.57 2.46 -1.26 -5.03 115.29 121.48 2jwy s HIS 164 Ca 1.01 0.96 -0.01 0.00 0.47 0.00 0.00 55.06 57.50 2jwy s HIS 164 Cb -0.79 -3.54 -0.04 0.00 -0.13 0.00 0.00 32.58 28.07 2jwy s HIS 164 CO 0.52 -1.91 0.19 -1.58 -2.47 0.00 0.00 174.74 169.49 2jwy s HIS 165 N 2.94 3.49 0.98 3.88 5.04 -1.26 -5.12 115.29 125.25 2jwy s HIS 165 Ca 0.58 0.26 -0.14 0.00 -1.54 0.00 0.00 55.06 54.23 2jwy s HIS 165 Cb -0.25 -1.77 0.18 0.00 0.04 0.00 0.00 32.58 30.78 2jwy s HIS 165 CO 0.20 0.60 1.14 -1.01 -2.34 0.00 0.00 174.74 173.33 2jwy s HIS 166 N -1.43 2.03 0.00 3.88 3.76 -1.26 -5.02 115.29 117.25 2jwy s HIS 166 Ca 0.32 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 2jwy s HIS 166 Cb -0.13 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.14 2jwy s HIS 166 CO 0.24 -2.77 0.00 0.72 -0.85 0.00 0.00 174.74 172.09 2jwy n HIS 167 N -4.03 0.00 -0.95 1.40 8.25 -1.26 -5.34 115.22 113.29 2jwy n HIS 167 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2jwy n HIS 167 Cb 0.59 0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.80 2jwy n HIS 167 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70