#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwp s ILE 2 N 0.00 2.43 0.30 0.52 1.01 -1.24 -1.24 121.20 122.98 1gwp s ILE 2 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.77 1gwp s ILE 2 Cb 0.00 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 1gwp s ILE 2 CO 0.00 0.58 -0.05 0.68 0.00 0.00 0.00 174.94 176.15 1gwp s VAL 3 N -0.47 1.71 -0.26 2.92 -7.23 0.52 -4.93 120.40 112.65 1gwp s VAL 3 Ca 0.05 -2.12 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 1gwp s VAL 3 Cb -0.12 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1gwp s VAL 3 CO 0.01 -0.24 0.12 0.00 -0.31 0.00 0.00 175.10 174.68 1gwp s GLN 4 N -3.72 3.79 0.16 4.82 0.00 -1.26 -0.15 119.66 123.29 1gwp s GLN 4 Ca 0.31 -0.41 -0.25 0.00 -0.00 0.00 0.00 55.36 55.01 1gwp s GLN 4 Cb 0.04 -3.48 -0.08 0.00 0.00 0.00 0.00 33.01 29.50 1gwp s GLN 4 CO 0.13 -0.18 0.77 0.54 0.00 0.00 0.00 175.29 176.55 1gwp s ASN 5 N 1.68 7.38 0.42 12.60 2.20 -0.33 -4.92 114.94 133.97 1gwp s ASN 5 Ca 0.07 1.63 0.27 0.00 -0.94 0.00 0.00 52.86 53.89 1gwp s ASN 5 Cb -0.15 -2.50 1.38 0.00 -2.00 0.00 0.00 41.25 37.98 1gwp s ASN 5 CO 0.07 0.20 1.62 -0.07 -2.94 0.00 0.00 177.10 175.98 1gwp h LEU 6 N 4.39 0.28 -1.10 3.54 4.07 -1.98 0.66 115.31 125.17 1gwp h LEU 6 Ca -0.47 0.16 0.41 0.00 0.08 0.00 0.00 57.88 58.06 1gwp h LEU 6 Cb 1.21 0.15 -0.14 0.00 1.08 0.00 0.00 40.66 42.95 1gwp h LEU 6 CO 0.66 -0.22 0.67 0.00 -1.08 0.00 0.00 178.44 178.47 1gwp n GLN 7 N -4.82 -0.04 0.00 1.13 3.00 -1.26 -4.71 117.38 110.68 1gwp n GLN 7 Ca 0.37 1.18 0.00 0.00 -0.01 0.00 0.00 57.00 58.54 1gwp n GLN 7 Cb 1.37 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 29.37 1gwp n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gwp n GLY 8 N -1.37 0.82 3.56 1.08 0.00 0.23 -5.14 105.19 104.37 1gwp n GLY 8 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 1gwp n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gwp s GLN 9 N 0.36 0.75 -0.16 1.61 0.74 -1.17 -5.02 119.66 116.78 1gwp s GLN 9 Ca 0.00 0.26 -0.21 0.00 0.05 0.00 0.00 55.36 55.46 1gwp s GLN 9 Cb 0.00 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.44 1gwp s GLN 9 CO 0.00 -0.22 0.62 -1.64 -0.55 0.00 0.00 175.29 173.50 1gwp s MET 10 N -0.97 4.28 0.12 1.67 -1.94 -1.26 -1.19 119.30 120.02 1gwp s MET 10 Ca -0.04 0.65 0.06 0.00 -1.71 0.00 0.00 55.69 54.65 1gwp s MET 10 Cb -0.01 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 33.27 1gwp s MET 10 CO 0.04 -0.11 -0.14 0.14 -0.01 0.00 0.00 175.02 174.93 1gwp s VAL 11 N 1.48 1.34 0.44 -6.03 -7.23 0.79 -4.93 120.40 106.25 1gwp s VAL 11 Ca 0.30 -1.74 -0.13 0.00 -1.81 0.00 0.00 61.98 58.61 1gwp s VAL 11 Cb -0.16 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.15 1gwp s VAL 11 CO 0.12 -0.43 0.84 -1.38 -0.31 0.00 0.00 175.10 173.95 1gwp s HIS 12 N -2.18 3.46 -0.29 2.82 -3.43 -1.26 -0.36 115.29 114.04 1gwp s HIS 12 Ca 0.09 1.20 0.10 0.00 -0.80 0.00 0.00 55.06 55.66 1gwp s HIS 12 Cb -0.05 -2.57 0.47 0.00 -1.43 0.00 0.00 32.58 29.00 1gwp s HIS 12 CO 0.03 -0.18 1.17 0.94 -2.00 0.00 0.00 174.74 174.70 1gwp n GLN 13 N -1.33 3.29 -0.18 -0.38 7.27 -0.37 -4.86 117.38 120.82 1gwp n GLN 13 Ca 0.04 -4.07 0.02 0.00 0.07 0.00 0.00 57.00 53.07 1gwp n GLN 13 Cb 0.54 -2.16 -0.01 0.00 2.41 0.00 0.00 30.24 31.02 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gwp n ALA 14 N -0.68 -0.87 -2.18 1.69 0.00 -1.26 -4.82 120.51 112.39 1gwp n ALA 14 Ca 0.38 0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 1gwp n ALA 14 Cb 0.93 -0.26 0.05 0.00 0.00 0.00 0.00 19.45 20.18 1gwp n ALA 14 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1gwp n ILE 15 N -1.13 0.00 -4.69 0.00 3.06 -1.26 -4.14 119.36 111.20 1gwp n ILE 15 Ca 0.00 -0.57 -0.28 0.00 -2.50 0.00 0.00 62.75 59.40 1gwp n ILE 15 Cb 0.08 -1.31 -0.14 0.00 0.54 0.00 0.00 39.64 38.81 1gwp n ILE 15 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1gwp s SER 16 N -2.67 2.89 0.06 9.51 0.15 -1.26 -5.04 113.70 117.34 1gwp s SER 16 Ca 0.27 -0.60 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 1gwp s SER 16 Cb -0.01 -0.24 -0.21 0.00 -1.71 0.00 0.00 66.02 63.85 1gwp s SER 16 CO 0.18 0.20 1.20 1.55 1.20 0.00 0.00 173.24 177.57 1gwp h PRO 17 N 4.63 0.65 -0.05 5.44 0.13 -1.99 -1.71 132.00 139.09 1gwp h PRO 17 Ca -0.46 -0.63 -0.06 0.00 -0.87 0.00 0.00 66.00 63.99 1gwp h PRO 17 Cb 1.16 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1gwp h PRO 17 CO 0.43 1.23 -0.24 0.00 -0.23 0.00 0.00 178.00 179.19 1gwp h ARG 18 N 0.29 0.09 0.00 0.86 3.08 -1.98 0.29 114.38 117.02 1gwp h ARG 18 Ca -0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1gwp h ARG 18 Cb 1.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1gwp h ARG 18 CO 0.16 0.33 -0.00 1.15 -1.07 0.00 0.00 179.97 180.54 1gwp h THR 19 N 0.08 1.59 -0.69 2.04 2.02 -1.97 -1.41 112.91 114.57 1gwp h THR 19 Ca 0.01 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 1gwp h THR 19 Cb 0.47 2.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.64 1gwp h THR 19 CO 0.03 0.45 0.32 -0.07 0.37 0.00 0.00 175.52 176.63 1gwp h LEU 20 N -0.75 0.91 0.85 2.58 3.38 -1.16 0.27 115.31 121.39 1gwp h LEU 20 Ca -0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1gwp h LEU 20 Cb 0.75 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1gwp h LEU 20 CO 0.00 0.80 -0.41 -1.13 0.09 0.00 0.00 178.44 177.79 1gwp h ASN 21 N 0.96 -0.97 -0.79 -0.43 -0.73 -0.48 0.28 115.58 113.43 1gwp h ASN 21 Ca 0.24 0.03 0.15 0.00 1.87 0.00 0.00 56.30 58.59 1gwp h ASN 21 Cb 0.13 0.25 -0.10 0.00 0.27 0.00 0.00 38.32 38.88 1gwp h ASN 21 CO -0.03 -0.69 0.34 0.00 -0.37 0.00 0.00 177.43 176.68 1gwp h ALA 22 N -1.47 1.14 0.52 1.57 0.00 -1.17 -0.73 119.26 119.11 1gwp h ALA 22 Ca -0.12 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1gwp h ALA 22 Cb 0.87 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1gwp h ALA 22 CO 0.19 -0.19 -0.51 2.35 0.00 0.00 0.00 179.25 181.09 1gwp h TRP 23 N 0.48 -1.43 -0.97 0.00 2.91 -0.17 0.71 115.95 117.48 1gwp h TRP 23 Ca 0.43 0.01 0.32 0.00 1.13 0.00 0.00 58.89 60.79 1gwp h TRP 23 Cb 0.66 0.55 -0.16 0.00 -0.51 0.00 0.00 29.16 29.70 1gwp h TRP 23 CO -0.15 -0.69 0.42 0.28 -1.03 0.00 0.00 178.44 177.27 1gwp h VAL 24 N -1.03 0.19 -0.37 2.65 2.07 0.86 1.95 116.25 122.57 1gwp h VAL 24 Ca -0.07 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 1gwp h VAL 24 Cb 0.89 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1gwp h VAL 24 CO -0.06 0.03 -0.37 0.11 0.02 0.00 0.00 177.57 177.30 1gwp h LYS 25 N 0.17 0.87 -0.46 1.57 1.57 0.21 0.47 116.57 120.97 1gwp h LYS 25 Ca 0.71 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1gwp h LYS 25 Cb 1.64 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.94 1gwp h LYS 25 CO -0.70 1.09 0.30 0.28 -0.57 0.00 0.00 179.45 179.85 1gwp h VAL 26 N 0.71 1.12 -0.20 0.50 2.07 0.90 0.34 116.25 121.70 1gwp h VAL 26 Ca 0.06 -0.21 -0.20 0.00 0.82 0.00 0.00 66.70 67.17 1gwp h VAL 26 Cb 0.95 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1gwp h VAL 26 CO 0.09 0.11 -0.67 0.58 0.02 0.00 0.00 177.57 177.71 1gwp h VAL 27 N 0.62 1.29 0.00 2.57 2.07 -0.07 0.23 116.25 122.96 1gwp h VAL 27 Ca 0.17 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 1gwp h VAL 27 Cb -0.07 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1gwp h VAL 27 CO -0.04 0.60 -0.06 -0.08 0.02 0.00 0.00 177.57 178.01 1gwp h GLU 28 N 0.54 0.00 0.00 1.57 4.81 0.46 1.74 114.58 123.70 1gwp h GLU 28 Ca -0.02 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.94 1gwp h GLU 28 Cb 1.27 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 1gwp h GLU 28 CO 0.14 0.06 -1.49 -1.91 -0.73 0.00 0.00 179.01 175.08 1gwp n GLU 29 N -3.45 0.57 -0.06 1.92 2.13 0.11 -4.75 120.64 117.11 1gwp n GLU 29 Ca -0.02 0.52 -0.05 0.00 0.66 0.00 0.00 57.16 58.28 1gwp n GLU 29 Cb 0.19 -1.70 -0.02 0.00 0.27 0.00 0.00 31.44 30.19 1gwp n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1gwp n LYS 30 N -4.40 0.38 -1.82 5.31 5.02 0.77 -5.07 118.16 118.35 1gwp n LYS 30 Ca -0.36 0.39 -0.01 0.00 -2.02 0.00 0.00 58.31 56.31 1gwp n LYS 30 Cb 0.72 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gwp n ALA 31 N -3.57 -2.68 -3.12 7.82 0.00 0.59 -4.62 120.51 114.93 1gwp n ALA 31 Ca -0.07 0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1gwp n ALA 31 Cb 0.27 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 18.99 1gwp n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1gwp n PHE 32 N -0.64 -3.00 -3.80 0.00 3.01 -1.26 -5.03 117.46 106.75 1gwp n PHE 32 Ca 0.02 1.18 -0.24 0.00 1.01 0.00 0.00 57.45 59.42 1gwp n PHE 32 Cb 0.20 -3.80 -0.03 0.00 -0.01 0.00 0.00 39.48 35.84 1gwp n PHE 32 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1gwp s SER 33 N -2.80 4.75 0.00 4.37 0.01 -1.26 -4.99 113.70 113.78 1gwp s SER 33 Ca 0.09 -1.03 0.24 0.00 1.31 0.00 0.00 55.95 56.56 1gwp s SER 33 Cb -0.02 -0.09 1.42 0.00 0.21 0.00 0.00 66.02 67.54 1gwp s SER 33 CO 0.78 -0.85 1.80 -0.81 0.41 0.00 0.00 173.24 174.56 1gwp n PRO 34 N -1.61 0.74 -0.23 12.44 -0.04 -1.26 -2.25 135.00 142.79 1gwp n PRO 34 Ca 0.01 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1gwp n PRO 34 Cb 0.63 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.74 1gwp n PRO 34 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gwp n GLU 35 N -1.01 1.24 -0.01 0.54 4.07 -1.26 -4.56 120.64 119.64 1gwp n GLU 35 Ca 0.18 -2.61 0.05 0.00 -0.06 0.00 0.00 57.16 54.71 1gwp n GLU 35 Cb 0.09 -1.43 -0.10 0.00 -0.06 0.00 0.00 31.44 29.93 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1gwp n VAL 36 N -1.25 0.12 -0.27 6.31 0.31 -0.96 -4.08 118.33 118.52 1gwp n VAL 36 Ca 0.15 -0.33 -0.05 0.00 -0.01 0.00 0.00 64.34 64.10 1gwp n VAL 36 Cb 0.66 0.08 0.06 0.00 -0.91 0.00 0.00 33.84 33.73 1gwp n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1gwp h ILE 37 N 0.00 1.23 -0.04 2.52 2.04 -1.80 0.33 117.51 121.78 1gwp h ILE 37 Ca -0.05 -0.56 -0.21 0.00 1.00 0.00 0.00 64.86 65.04 1gwp h ILE 37 Cb 0.76 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1gwp h ILE 37 CO 0.00 0.25 -0.87 1.55 0.00 0.00 0.00 178.15 179.08 1gwp h PRO 38 N 1.03 0.45 -0.49 2.37 0.13 -1.88 -1.53 132.00 132.08 1gwp h PRO 38 Ca 0.26 -0.44 -0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1gwp h PRO 38 Cb 0.03 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 1gwp h PRO 38 CO -0.04 1.08 -0.14 0.52 -0.23 0.00 0.00 178.00 179.19 1gwp h MET 39 N 0.27 0.93 -0.12 0.86 2.86 -1.62 -1.19 114.93 116.92 1gwp h MET 39 Ca -0.06 -0.35 -0.15 0.00 -2.06 0.00 0.00 59.70 57.08 1gwp h MET 39 Cb 1.48 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 33.09 1gwp h MET 39 CO 0.15 1.00 -0.52 0.35 1.06 0.00 0.00 176.91 178.95 1gwp h PHE 40 N 0.82 0.76 -0.95 -0.22 3.57 -0.37 -1.52 116.94 119.04 1gwp h PHE 40 Ca 0.13 -0.33 0.01 0.00 3.53 0.00 0.00 57.97 61.30 1gwp h PHE 40 Cb 0.68 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1gwp h PHE 40 CO 0.04 1.11 0.61 0.66 -2.23 0.00 0.00 178.31 178.50 1gwp h SER 41 N 0.19 1.10 -0.10 0.41 4.64 -1.22 0.43 113.55 119.01 1gwp h SER 41 Ca -0.03 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1gwp h SER 41 Cb 1.16 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1gwp h SER 41 CO 0.11 0.81 -0.02 0.00 -0.87 0.00 0.00 176.83 176.86 1gwp h ALA 42 N 1.34 0.13 0.00 5.18 0.00 -1.21 -1.56 119.26 123.14 1gwp h ALA 42 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1gwp h ALA 42 Cb -0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1gwp h ALA 42 CO -0.07 -0.15 -0.02 -0.07 0.00 0.00 0.00 179.25 178.94 1gwp h LEU 43 N -0.14 0.00 -3.86 0.00 3.38 -0.83 -1.69 115.31 112.18 1gwp h LEU 43 Ca 0.02 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.40 1gwp h LEU 43 Cb 0.42 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.78 1gwp h LEU 43 CO 0.01 0.02 -0.24 -1.54 0.09 0.00 0.00 178.44 176.78 1gwp n SER 44 N -3.23 5.87 -0.03 -0.43 3.41 0.15 -4.78 113.62 114.58 1gwp n SER 44 Ca -0.02 -3.76 -0.09 0.00 -0.26 0.00 0.00 58.87 54.74 1gwp n SER 44 Cb 0.18 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 1gwp n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gwp h GLU 45 N 2.14 -0.26 -0.78 4.33 5.08 -0.32 -3.35 114.58 121.41 1gwp h GLU 45 Ca 0.45 0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.50 1gwp h GLU 45 Cb 1.27 0.06 -0.28 0.00 0.50 0.00 0.00 28.75 30.30 1gwp h GLU 45 CO 1.05 -0.17 -0.82 0.41 -1.00 0.00 0.00 179.01 178.48 1gwp n GLY 46 N -1.37 1.80 3.91 -3.84 0.00 -1.26 -4.63 105.19 99.80 1gwp n GLY 46 Ca -0.02 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1gwp n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwp s ALA 47 N -1.34 3.33 0.82 4.61 0.00 -1.26 -3.62 121.76 124.30 1gwp s ALA 47 Ca 0.28 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1gwp s ALA 47 Cb 0.38 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.89 1gwp s ALA 47 CO -0.04 -0.61 0.15 0.25 0.00 0.00 0.00 175.76 175.50 1gwp n THR 48 N -2.47 0.00 0.04 0.00 -2.24 -1.26 -4.72 114.28 103.63 1gwp n THR 48 Ca 0.03 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.51 1gwp n THR 48 Cb 0.56 -1.74 -0.06 0.00 -2.10 0.00 0.00 70.33 66.99 1gwp n THR 48 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1gwp h PRO 49 N 0.00 0.60 0.00 -0.78 0.13 -1.93 -1.59 132.00 128.44 1gwp h PRO 49 Ca -0.05 -0.59 -0.20 0.00 -0.87 0.00 0.00 66.00 64.30 1gwp h PRO 49 Cb 0.15 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1gwp h PRO 49 CO 0.04 1.20 -0.88 0.37 -0.23 0.00 0.00 178.00 178.50 1gwp h GLN 50 N 0.37 0.18 0.36 0.86 -0.00 -1.95 -1.07 115.11 113.85 1gwp h GLN 50 Ca -0.09 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.65 58.35 1gwp h GLN 50 Cb 1.55 0.06 0.00 0.00 0.00 0.00 0.00 27.48 29.09 1gwp h GLN 50 CO 0.17 0.94 -0.17 -0.44 0.00 0.00 0.00 178.83 179.33 1gwp h ASP 51 N 0.10 -0.41 -0.04 -0.69 5.19 -1.93 0.33 116.42 118.97 1gwp h ASP 51 Ca -0.04 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1gwp h ASP 51 Cb 1.51 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 41.11 1gwp h ASP 51 CO 0.13 -0.00 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.14 1gwp h LEU 52 N -0.90 -0.12 -1.23 1.55 3.38 -1.37 -0.23 115.31 116.38 1gwp h LEU 52 Ca -0.05 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1gwp h LEU 52 Cb 0.54 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1gwp h LEU 52 CO 0.08 -0.06 0.54 -1.13 0.09 0.00 0.00 178.44 177.97 1gwp h ASN 53 N -0.05 0.83 0.88 -0.43 -1.24 -1.24 0.29 115.58 114.63 1gwp h ASN 53 Ca 0.03 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 1gwp h ASN 53 Cb 0.10 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1gwp h ASN 53 CO -0.07 0.55 -0.46 0.74 -1.29 0.00 0.00 177.43 176.90 1gwp h THR 54 N 0.95 0.06 0.00 -3.57 2.02 0.74 0.87 112.91 113.99 1gwp h THR 54 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1gwp h THR 54 Cb 0.15 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1gwp h THR 54 CO -0.12 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.77 1gwp h MET 55 N -1.23 0.00 0.01 6.66 -0.00 -0.71 -0.49 114.93 119.16 1gwp h MET 55 Ca -0.12 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.39 1gwp h MET 55 Cb 0.96 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.58 1gwp h MET 55 CO 0.17 0.00 -0.76 -0.07 -0.00 0.00 0.00 176.91 176.25 1gwp h LEU 56 N 0.00 0.66 -0.56 -0.10 4.07 0.26 -3.06 115.31 116.58 1gwp h LEU 56 Ca 0.00 -0.76 -0.16 0.00 0.08 0.00 0.00 57.88 57.04 1gwp h LEU 56 Cb 0.22 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1gwp h LEU 56 CO 0.00 1.34 -0.70 -1.13 -1.08 0.00 0.00 178.44 176.87 1gwp h ASN 57 N 0.06 0.16 -0.68 -0.43 -1.24 -0.12 -3.01 115.58 110.32 1gwp h ASN 57 Ca -0.10 -0.10 0.06 0.00 0.71 0.00 0.00 56.30 56.87 1gwp h ASN 57 Cb 1.46 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 40.42 1gwp h ASN 57 CO 0.15 0.80 0.45 0.74 -1.29 0.00 0.00 177.43 178.28 1gwp h THR 58 N 0.09 1.03 -1.66 -3.57 2.02 -1.13 -3.44 112.91 106.25 1gwp h THR 58 Ca -0.01 -0.25 -0.49 0.00 0.77 0.00 0.00 66.41 66.43 1gwp h THR 58 Cb 1.24 0.25 0.25 0.00 -1.74 0.00 0.00 68.15 68.14 1gwp h THR 58 CO 0.10 0.13 -2.02 0.55 0.37 0.00 0.00 175.52 174.65 1gwp n VAL 59 N -4.47 0.00 -0.10 3.16 3.14 -1.14 -4.78 118.33 114.14 1gwp n VAL 59 Ca 0.09 -0.17 -0.03 0.00 -2.96 0.00 0.00 64.34 61.28 1gwp n VAL 59 Cb 0.21 -0.21 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1gwp n VAL 59 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gwp n GLY 60 N 2.97 -2.48 0.00 7.55 0.00 -1.26 -4.86 105.19 107.11 1gwp n GLY 60 Ca -0.01 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1gwp n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwp n GLY 61 N -1.06 0.31 3.49 -0.02 0.00 -1.26 -5.12 105.19 101.54 1gwp n GLY 61 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1gwp n GLY 61 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gwp s HIS 62 N 0.00 3.21 0.49 1.61 3.76 -1.26 -4.93 115.29 118.17 1gwp s HIS 62 Ca 0.00 -0.37 0.16 0.00 -0.15 0.00 0.00 55.06 54.70 1gwp s HIS 62 Cb 0.00 -2.68 1.18 0.00 1.11 0.00 0.00 32.58 32.18 1gwp s HIS 62 CO 0.00 -0.56 2.08 -0.56 -0.85 0.00 0.00 174.74 174.84 1gwp h GLN 63 N 8.61 0.17 0.06 1.40 -0.00 -1.99 0.20 115.11 123.55 1gwp h GLN 63 Ca -0.28 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1gwp h GLN 63 Cb 1.13 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 1gwp h GLN 63 CO 0.73 0.11 -0.03 0.00 -0.00 0.00 0.00 178.83 179.64 1gwp h ALA 64 N 1.85 -0.07 0.45 0.06 0.00 -1.98 0.41 119.26 119.99 1gwp h ALA 64 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1gwp h ALA 64 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1gwp h ALA 64 CO -0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 179.25 178.67 1gwp h ALA 65 N 0.44 -0.61 -0.75 0.00 0.00 -1.76 -1.18 119.26 115.40 1gwp h ALA 65 Ca -0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1gwp h ALA 65 Cb 0.42 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1gwp h ALA 65 CO 0.01 -0.84 0.49 0.52 0.00 0.00 0.00 179.25 179.43 1gwp h MET 66 N -0.61 0.84 0.03 0.00 2.07 -0.67 -1.32 114.93 115.27 1gwp h MET 66 Ca -0.06 -0.05 0.01 0.00 -2.07 0.00 0.00 59.70 57.52 1gwp h MET 66 Cb 0.47 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 1gwp h MET 66 CO 0.10 0.56 -0.06 0.37 1.07 0.00 0.00 176.91 178.95 1gwp h GLN 67 N 0.87 -0.12 -0.56 1.72 4.15 0.29 0.12 115.11 121.58 1gwp h GLN 67 Ca 0.31 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1gwp h GLN 67 Cb 0.13 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1gwp h GLN 67 CO -0.10 -0.08 0.37 0.52 -1.93 0.00 0.00 178.83 177.61 1gwp h MET 68 N -0.12 0.74 -0.34 1.69 2.86 -0.63 -0.79 114.93 118.33 1gwp h MET 68 Ca 0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1gwp h MET 68 Cb 0.14 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1gwp h MET 68 CO -0.04 0.49 0.17 1.25 1.06 0.00 0.00 176.91 179.85 1gwp h LEU 69 N 0.75 0.41 0.02 1.22 6.46 -0.93 0.31 115.31 123.55 1gwp h LEU 69 Ca 0.20 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1gwp h LEU 69 Cb -0.08 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1gwp h LEU 69 CO -0.04 0.34 -0.01 0.50 -0.62 0.00 0.00 178.44 178.61 1gwp h LYS 70 N 0.47 -0.02 -0.32 1.25 3.11 0.35 0.26 116.57 121.66 1gwp h LYS 70 Ca 0.12 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.99 1gwp h LYS 70 Cb 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.23 1gwp h LYS 70 CO -0.02 0.29 0.13 1.49 -2.81 0.00 0.00 179.45 178.53 1gwp h GLU 71 N -0.34 0.27 0.80 1.90 4.81 -0.57 0.43 114.58 121.89 1gwp h GLU 71 Ca -0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1gwp h GLU 71 Cb 0.32 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1gwp h GLU 71 CO 0.00 0.18 -0.49 1.15 -0.73 0.00 0.00 179.01 179.13 1gwp h THR 72 N 0.28 0.03 -0.68 0.32 2.02 -0.90 0.12 112.91 114.10 1gwp h THR 72 Ca 0.14 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.46 1gwp h THR 72 Cb 0.09 0.03 -0.12 0.00 -1.74 0.00 0.00 68.15 66.41 1gwp h THR 72 CO -0.13 0.00 -0.08 0.40 0.37 0.00 0.00 175.52 176.08 1gwp h ILE 73 N -1.21 0.37 -0.65 3.11 2.04 -0.79 1.20 117.51 121.58 1gwp h ILE 73 Ca -0.11 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1gwp h ILE 73 Cb 0.96 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1gwp h ILE 73 CO 0.11 0.01 0.43 -1.13 0.00 0.00 0.00 178.15 177.58 1gwp h ASN 74 N 0.05 0.48 0.44 1.72 -0.73 -0.59 -1.47 115.58 115.49 1gwp h ASN 74 Ca 0.35 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.50 1gwp h ASN 74 Cb 0.56 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1gwp h ASN 74 CO -0.65 0.30 -0.21 -0.08 -0.37 0.00 0.00 177.43 176.42 1gwp h GLU 75 N 0.54 -0.57 -1.00 6.67 4.81 0.34 -0.04 114.58 125.33 1gwp h GLU 75 Ca 0.29 0.04 0.35 0.00 -0.13 0.00 0.00 59.36 59.91 1gwp h GLU 75 Cb 0.44 0.13 -0.16 0.00 0.63 0.00 0.00 28.75 29.79 1gwp h GLU 75 CO -0.09 -0.38 0.55 0.93 -0.73 0.00 0.00 179.01 179.29 1gwp h GLU 76 N -0.74 0.23 -0.24 1.92 3.07 -0.73 1.07 114.58 119.17 1gwp h GLU 76 Ca -0.06 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 1gwp h GLU 76 Cb 0.45 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1gwp h GLU 76 CO 0.10 0.15 -0.01 0.00 -1.40 0.00 0.00 179.01 177.85 1gwp h ALA 77 N 1.89 0.33 0.09 3.43 0.00 -1.18 0.54 119.26 124.36 1gwp h ALA 77 Ca 0.76 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.47 1gwp h ALA 77 Cb 1.82 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1gwp h ALA 77 CO -0.65 0.07 -0.23 0.00 0.00 0.00 0.00 179.25 178.43 1gwp h ALA 78 N 0.80 -0.37 0.00 0.00 0.00 0.30 0.45 119.26 120.44 1gwp h ALA 78 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1gwp h ALA 78 Cb 0.43 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1gwp h ALA 78 CO 0.01 -0.76 -0.03 1.05 0.00 0.00 0.00 179.25 179.53 1gwp h GLU 79 N -0.41 0.00 -0.65 0.00 4.11 -0.65 0.21 114.58 117.19 1gwp h GLU 79 Ca 0.04 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.39 1gwp h GLU 79 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1gwp h GLU 79 CO -0.15 0.03 0.11 2.35 0.07 0.00 0.00 179.01 181.42 1gwp h TRP 80 N 0.00 1.14 -0.02 2.06 2.91 0.84 0.56 115.95 123.43 1gwp h TRP 80 Ca -0.00 -0.16 -0.02 0.00 1.13 0.00 0.00 58.89 59.84 1gwp h TRP 80 Cb 0.05 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.39 1gwp h TRP 80 CO 0.00 0.96 -0.06 0.22 -1.03 0.00 0.00 178.44 178.53 1gwp h ASP 81 N 0.99 0.09 -0.96 2.65 3.58 0.73 -0.90 116.42 122.61 1gwp h ASP 81 Ca 0.20 -0.60 0.05 0.00 0.42 0.00 0.00 57.03 57.09 1gwp h ASP 81 Cb 0.43 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.40 1gwp h ASP 81 CO 0.01 0.68 0.62 -0.09 -2.88 0.00 0.00 179.24 177.59 1gwp h ARG 82 N -0.49 1.12 0.00 0.28 2.43 -0.53 -3.23 114.38 113.96 1gwp h ARG 82 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1gwp h ARG 82 Cb 0.67 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1gwp h ARG 82 CO 0.01 0.74 0.00 1.28 -1.51 0.00 0.00 179.97 180.50 1gwp n LEU 83 N -4.47 0.61 -4.65 3.80 4.77 0.20 -4.69 117.00 112.57 1gwp n LEU 83 Ca 0.14 0.55 -0.39 0.00 -0.03 0.00 0.00 56.01 56.27 1gwp n LEU 83 Cb 0.15 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1gwp n LEU 83 CO 0.34 -0.25 0.21 -1.00 -1.33 0.00 0.00 177.39 175.36 1gwp s HIS 84 N -1.39 3.33 1.11 -1.77 3.76 -0.34 -5.07 115.29 114.92 1gwp s HIS 84 Ca 0.00 0.69 -0.18 0.00 -0.15 0.00 0.00 55.06 55.42 1gwp s HIS 84 Cb 0.00 -2.66 0.26 0.00 1.11 0.00 0.00 32.58 31.29 1gwp s HIS 84 CO 0.00 -0.15 1.23 -1.25 -0.85 0.00 0.00 174.74 173.72 1gwp s PRO 85 N 1.83 -0.51 -0.23 8.40 0.04 -1.25 -4.25 135.00 139.03 1gwp s PRO 85 Ca 0.22 -0.33 -0.12 0.00 0.04 0.00 0.00 61.00 60.82 1gwp s PRO 85 Cb -0.15 -1.70 0.08 0.00 0.04 0.00 0.00 34.50 32.76 1gwp s PRO 85 CO 0.09 -3.19 0.55 0.08 0.04 0.00 0.00 177.00 174.57 1gwp s VAL 86 N -3.48 -0.22 -0.57 -0.36 1.01 -1.26 -4.87 120.40 110.64 1gwp s VAL 86 Ca 0.74 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.81 1gwp s VAL 86 Cb -0.05 -0.82 0.15 0.00 0.00 0.00 0.00 36.38 35.66 1gwp s VAL 86 CO 0.55 0.02 0.35 -2.28 0.00 0.00 0.00 175.10 173.74 1gwp s HIS 87 N 1.84 2.98 -0.50 5.22 2.46 -1.26 -5.06 115.29 120.97 1gwp s HIS 87 Ca -0.08 -3.05 -0.26 0.00 0.47 0.00 0.00 55.06 52.13 1gwp s HIS 87 Cb -0.08 -2.49 0.03 0.00 -0.13 0.00 0.00 32.58 29.91 1gwp s HIS 87 CO -0.16 -0.68 1.02 0.00 -2.47 0.00 0.00 174.74 172.44 1gwp s ALA 88 N -0.59 3.17 0.00 1.58 0.00 -1.26 -4.73 121.76 119.93 1gwp s ALA 88 Ca 0.21 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1gwp s ALA 88 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1gwp s ALA 88 CO -0.07 -2.26 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1gwp n GLY 89 N 4.97 -0.29 3.58 0.00 0.00 -1.26 -5.06 105.19 107.12 1gwp n GLY 89 Ca 0.07 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1gwp n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gwp s PRO 90 N 0.00 3.26 0.16 1.61 0.04 -1.26 -4.96 135.00 133.84 1gwp s PRO 90 Ca 0.00 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 1gwp s PRO 90 Cb 0.00 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1gwp s PRO 90 CO 0.00 -1.98 0.07 -1.50 0.04 0.00 0.00 177.00 173.63 1gwp s ILE 91 N 6.37 0.15 0.48 0.56 2.07 -1.26 -5.16 121.20 124.41 1gwp s ILE 91 Ca 0.56 -1.94 -0.15 0.00 -1.41 0.00 0.00 60.65 57.71 1gwp s ILE 91 Cb -0.12 -2.18 -0.08 0.00 0.13 0.00 0.00 42.46 40.21 1gwp s ILE 91 CO 0.26 -0.34 0.93 0.00 -1.91 0.00 0.00 174.94 173.88 1gwp s ALA 92 N -4.02 3.14 -1.06 1.50 0.00 -1.26 -4.95 121.76 115.11 1gwp s ALA 92 Ca 0.28 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 1gwp s ALA 92 Cb 0.07 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 1gwp s ALA 92 CO 0.05 -0.15 1.74 -1.25 0.00 0.00 0.00 175.76 176.14 1gwp s PRO 93 N -3.95 3.14 0.00 0.00 0.04 -1.26 -1.89 135.00 131.08 1gwp s PRO 93 Ca 0.57 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.60 1gwp s PRO 93 Cb -0.10 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1gwp s PRO 93 CO 0.30 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.87 1gwp n GLY 94 N 6.46 0.30 3.81 0.56 0.00 -1.26 -5.13 105.19 109.93 1gwp n GLY 94 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 1gwp n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gwp s GLN 95 N 0.00 4.29 0.53 1.61 -1.52 -0.79 -5.06 119.66 118.72 1gwp s GLN 95 Ca 0.00 0.89 -0.18 0.00 -1.95 0.00 0.00 55.36 54.12 1gwp s GLN 95 Cb 0.00 -2.98 -0.07 0.00 -0.22 0.00 0.00 33.01 29.75 1gwp s GLN 95 CO 0.00 0.45 1.02 0.00 -0.25 0.00 0.00 175.29 176.51 1gwp s MET 96 N -1.76 3.72 1.11 2.91 0.23 -1.26 -4.80 119.30 119.45 1gwp s MET 96 Ca 0.40 1.15 -0.19 0.00 -1.03 0.00 0.00 55.69 56.03 1gwp s MET 96 Cb -0.18 -2.09 0.28 0.00 -1.53 0.00 0.00 34.83 31.31 1gwp s MET 96 CO 0.22 -0.48 0.92 0.54 -2.03 0.00 0.00 175.02 174.19 1gwp n ARG 97 N -1.51 -3.18 -3.15 3.16 1.74 -1.26 -5.02 116.66 107.44 1gwp n ARG 97 Ca 0.08 -1.49 -0.22 0.00 -0.77 0.00 0.00 57.85 55.45 1gwp n ARG 97 Cb 0.53 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 1gwp n ARG 97 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1gwp n GLU 98 N -4.59 1.59 -1.36 5.56 2.13 -1.26 -5.07 120.64 117.64 1gwp n GLU 98 Ca 0.13 -3.81 -0.27 0.00 0.66 0.00 0.00 57.16 53.87 1gwp n GLU 98 Cb 0.52 -1.79 0.21 0.00 0.27 0.00 0.00 31.44 30.65 1gwp n GLU 98 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1gwp n PRO 99 N 0.42 -2.08 0.00 5.31 -0.04 -1.26 -4.83 135.00 132.51 1gwp n PRO 99 Ca 0.26 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1gwp n PRO 99 Cb 0.55 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1gwp n PRO 99 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1gwp n ARG 100 N -4.09 0.00 -3.84 0.54 5.12 -1.26 -5.01 116.66 108.12 1gwp n ARG 100 Ca 0.15 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.70 1gwp n ARG 100 Cb 0.54 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.71 1gwp n ARG 100 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1gwp s GLY 101 N -2.70 1.77 0.00 -0.13 0.00 -1.26 -4.43 107.32 100.57 1gwp s GLY 101 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1gwp s GLY 101 CO 0.00 0.69 0.00 1.44 0.00 0.00 0.00 173.10 175.23 1gwp n SER 102 N 4.73 0.00 0.09 1.64 7.64 -1.26 -4.66 113.62 121.80 1gwp n SER 102 Ca -0.13 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.68 1gwp n SER 102 Cb 0.45 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.70 1gwp n SER 102 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1gwp h ASP 103 N 0.00 0.23 0.00 6.43 5.19 -1.95 -2.79 116.42 123.52 1gwp h ASP 103 Ca 0.00 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1gwp h ASP 103 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1gwp h ASP 103 CO 0.00 0.89 0.26 0.40 -3.12 0.00 0.00 179.24 177.67 1gwp h ILE 104 N 0.12 0.00 0.00 0.35 2.04 -1.92 1.48 117.51 119.58 1gwp h ILE 104 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1gwp h ILE 104 Cb 1.32 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1gwp h ILE 104 CO 0.11 0.00 -0.80 0.00 0.00 0.00 0.00 178.15 177.47 1gwp h ALA 105 N 1.47 0.68 -0.02 1.87 0.00 -1.87 -3.44 119.26 117.96 1gwp h ALA 105 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1gwp h ALA 105 Cb 0.51 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1gwp h ALA 105 CO 0.00 0.47 -0.01 0.41 0.00 0.00 0.00 179.25 180.12 1gwp n GLY 106 N 1.24 0.44 0.19 0.00 0.00 0.51 -4.92 105.19 102.65 1gwp n GLY 106 Ca -0.02 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1gwp n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1gwp h THR 107 N 0.00 1.33 0.00 2.61 2.02 -1.76 -3.31 112.91 113.80 1gwp h THR 107 Ca -0.01 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1gwp h THR 107 Cb 0.04 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1gwp h THR 107 CO 0.01 0.67 -1.59 0.35 0.37 0.00 0.00 175.52 175.33 1gwp n THR 108 N -3.85 0.00 -4.32 3.16 -2.24 -1.26 -4.99 114.28 100.78 1gwp n THR 108 Ca -0.07 -0.33 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1gwp n THR 108 Cb 0.79 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 69.20 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1gwp s SER 109 N -3.66 4.30 0.59 3.42 1.04 -1.25 -5.09 113.70 113.05 1gwp s SER 109 Ca -0.04 -0.80 0.09 0.00 0.48 0.00 0.00 55.95 55.68 1gwp s SER 109 Cb 0.11 -0.67 0.09 0.00 0.10 0.00 0.00 66.02 65.65 1gwp s SER 109 CO 0.67 -0.06 0.81 0.42 0.98 0.00 0.00 173.24 176.06 1gwp s THR 110 N -2.41 2.14 0.11 2.02 -4.23 -1.26 -4.43 115.64 107.58 1gwp s THR 110 Ca 0.32 -0.97 -0.28 0.00 -1.18 0.00 0.00 61.69 59.58 1gwp s THR 110 Cb -0.05 -2.17 -0.10 0.00 1.34 0.00 0.00 72.50 71.52 1gwp s THR 110 CO 0.19 0.00 1.63 0.25 -0.54 0.00 0.00 174.62 176.15 1gwp h LEU 111 N 0.12 -0.77 -0.81 4.79 5.85 -1.99 -0.77 115.31 121.72 1gwp h LEU 111 Ca -0.30 0.08 0.19 0.00 0.84 0.00 0.00 57.88 58.69 1gwp h LEU 111 Cb 1.29 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 42.48 1gwp h LEU 111 CO 0.41 -0.38 0.20 1.56 -0.34 0.00 0.00 178.44 179.89 1gwp h GLN 112 N -0.53 0.24 -0.63 1.25 4.20 -1.99 0.36 115.11 118.02 1gwp h GLN 112 Ca 0.01 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1gwp h GLN 112 Cb 0.53 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1gwp h GLN 112 CO -0.12 0.16 0.41 0.93 -0.67 0.00 0.00 178.83 179.54 1gwp h GLU 113 N 0.25 0.80 -0.03 1.46 5.08 -1.71 0.04 114.58 120.46 1gwp h GLU 113 Ca 0.48 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1gwp h GLU 113 Cb 0.88 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1gwp h GLU 113 CO -0.58 0.53 -0.07 0.37 -1.00 0.00 0.00 179.01 178.26 1gwp h GLN 114 N 0.82 -0.11 -0.26 2.33 4.15 0.11 -0.66 115.11 121.49 1gwp h GLN 114 Ca 0.24 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.68 1gwp h GLN 114 Cb -0.05 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1gwp h GLN 114 CO -0.07 -0.07 0.17 0.82 -1.93 0.00 0.00 178.83 177.75 1gwp h ILE 115 N -0.11 1.05 0.40 2.39 5.03 -0.72 -0.59 117.51 124.96 1gwp h ILE 115 Ca 0.04 -0.11 -0.02 0.00 -0.12 0.00 0.00 64.86 64.65 1gwp h ILE 115 Cb 0.17 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 1gwp h ILE 115 CO -0.10 0.06 -0.19 1.23 -0.68 0.00 0.00 178.15 178.47 1gwp h GLY 116 N 0.32 -0.56 1.49 5.37 0.00 0.36 1.22 103.07 111.27 1gwp h GLY 116 Ca 0.10 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.66 1gwp h GLY 116 CO -0.02 -0.20 0.30 1.49 0.00 0.00 0.00 176.54 178.10 1gwp h TRP 117 N -0.67 0.51 0.00 5.60 6.55 -0.71 0.57 115.95 127.80 1gwp h TRP 117 Ca -0.06 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.80 1gwp h TRP 117 Cb 0.49 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 1gwp h TRP 117 CO -0.02 0.31 -0.16 -0.12 -1.05 0.00 0.00 178.44 177.40 1gwp n MET 118 N -4.47 0.13 -0.23 0.49 1.56 -0.27 0.28 117.12 114.60 1gwp n MET 118 Ca 0.04 0.08 0.09 0.00 -0.27 0.00 0.00 57.70 57.64 1gwp n MET 118 Cb 0.12 -1.62 0.17 0.00 2.15 0.00 0.00 33.22 34.04 1gwp n MET 118 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1gwp n THR 119 N -1.83 2.03 -4.10 1.12 -1.04 0.42 -4.53 114.28 106.34 1gwp n THR 119 Ca 0.06 -2.29 -0.24 0.00 -2.04 0.00 0.00 64.05 59.54 1gwp n THR 119 Cb 0.38 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1gwp n THR 119 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1gwp s HIS 120 N -2.92 2.64 -0.21 -1.42 4.02 0.16 -4.93 115.29 112.63 1gwp s HIS 120 Ca 0.35 -0.49 -0.03 0.00 1.02 0.00 0.00 55.06 55.91 1gwp s HIS 120 Cb 0.31 -1.80 -0.01 0.00 -1.02 0.00 0.00 32.58 30.06 1gwp s HIS 120 CO 0.03 0.26 -0.06 -0.80 1.02 0.00 0.00 174.74 175.19 1gwp s ASN 121 N -3.88 4.19 0.82 1.40 0.01 -1.26 -0.04 114.94 116.18 1gwp s ASN 121 Ca 0.40 -0.41 -0.12 0.00 -0.71 0.00 0.00 52.86 52.02 1gwp s ASN 121 Cb 0.01 -1.71 0.08 0.00 0.41 0.00 0.00 41.25 40.04 1gwp s ASN 121 CO 0.23 -0.01 1.10 -2.16 -1.51 0.00 0.00 177.10 174.75 1gwp s PRO 122 N 1.43 1.92 -0.24 -0.60 0.04 -1.26 -5.08 135.00 131.21 1gwp s PRO 122 Ca 0.05 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1gwp s PRO 122 Cb -0.14 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1gwp s PRO 122 CO -0.04 -1.72 1.32 -1.25 0.04 0.00 0.00 177.00 175.34 1gwp s PRO 123 N -5.18 4.03 -0.15 0.56 0.04 0.94 -4.93 135.00 130.31 1gwp s PRO 123 Ca 0.61 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1gwp s PRO 123 Cb -0.14 -3.85 -0.00 0.00 0.04 0.00 0.00 34.50 30.54 1gwp s PRO 123 CO 0.54 -0.98 1.03 0.42 0.04 0.00 0.00 177.00 178.05 1gwp s ILE 124 N 4.11 4.73 0.00 0.56 1.09 0.14 -4.90 121.20 126.93 1gwp s ILE 124 Ca 0.57 2.02 -0.03 0.00 -1.10 0.00 0.00 60.65 62.12 1gwp s ILE 124 Cb -0.19 -4.30 -0.12 0.00 -1.06 0.00 0.00 42.46 36.79 1gwp s ILE 124 CO 0.20 -0.06 2.27 -0.81 -0.10 0.00 0.00 174.94 176.44 1gwp n PRO 125 N 5.50 1.18 -0.14 2.79 -0.04 -1.26 -3.76 135.00 139.26 1gwp n PRO 125 Ca 0.10 -0.43 0.20 0.00 -0.04 0.00 0.00 63.50 63.33 1gwp n PRO 125 Cb 0.48 -1.56 0.61 0.00 -0.04 0.00 0.00 33.50 32.99 1gwp n PRO 125 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1gwp h VAL 126 N 1.83 0.70 0.00 0.52 3.04 -1.90 0.43 116.25 120.87 1gwp h VAL 126 Ca 0.08 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 1gwp h VAL 126 Cb 0.97 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1gwp h VAL 126 CO 0.17 0.04 0.00 0.61 -1.01 0.00 0.00 177.57 177.38 1gwp n GLY 127 N -1.60 -1.43 0.44 3.17 0.00 -1.26 -1.43 105.19 103.08 1gwp n GLY 127 Ca 0.15 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.43 1gwp n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gwp h GLU 128 N 0.00 0.26 0.73 1.61 5.08 -1.76 0.20 114.58 120.70 1gwp h GLU 128 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1gwp h GLU 128 Cb 0.00 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1gwp h GLU 128 CO 0.00 0.17 -0.35 0.82 -1.00 0.00 0.00 179.01 178.65 1gwp h ILE 129 N 0.26 0.00 -0.85 3.13 2.04 -0.19 -0.99 117.51 120.92 1gwp h ILE 129 Ca 0.58 -0.13 0.13 0.00 1.00 0.00 0.00 64.86 66.44 1gwp h ILE 129 Cb 1.72 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.71 1gwp h ILE 129 CO -0.21 0.00 0.45 0.22 0.00 0.00 0.00 178.15 178.62 1gwp h TYR 130 N -1.11 0.80 -0.45 1.37 3.20 0.06 0.34 116.97 121.18 1gwp h TYR 130 Ca -0.10 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.86 1gwp h TYR 130 Cb 0.75 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 1gwp h TYR 130 CO 0.03 0.23 0.16 -0.22 -1.64 0.00 0.00 178.16 176.72 1gwp h LYS 131 N 0.67 0.31 -0.24 1.82 3.11 -0.59 0.41 116.57 122.08 1gwp h LYS 131 Ca 0.45 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 58.16 1gwp h LYS 131 Cb 0.58 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1gwp h LYS 131 CO -0.33 0.21 -0.32 -0.09 -2.81 0.00 0.00 179.45 176.11 1gwp h ARG 132 N 0.32 0.49 0.20 1.90 2.43 0.36 -1.42 114.38 118.65 1gwp h ARG 132 Ca 0.21 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1gwp h ARG 132 Cb 0.21 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1gwp h ARG 132 CO -0.22 0.75 -0.09 -1.49 -1.51 0.00 0.00 179.97 177.41 1gwp h TRP 133 N 0.42 -0.24 -0.82 2.20 4.06 0.10 0.42 115.95 122.09 1gwp h TRP 133 Ca 0.05 -0.01 0.15 0.00 2.06 0.00 0.00 58.89 61.15 1gwp h TRP 133 Cb 0.76 0.08 -0.15 0.00 -1.00 0.00 0.00 29.16 28.85 1gwp h TRP 133 CO 0.03 -0.15 -0.26 0.82 -3.56 0.00 0.00 178.44 175.32 1gwp h ILE 134 N -0.30 0.14 -0.83 1.49 2.04 -0.29 1.66 117.51 121.42 1gwp h ILE 134 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1gwp h ILE 134 Cb 0.20 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 1gwp h ILE 134 CO 0.04 0.00 0.54 0.40 0.00 0.00 0.00 178.15 179.14 1gwp h ILE 135 N -0.03 1.04 -0.34 -0.67 5.03 -1.21 -0.88 117.51 120.45 1gwp h ILE 135 Ca 0.36 -0.31 0.05 0.00 -0.12 0.00 0.00 64.86 64.84 1gwp h ILE 135 Cb 0.60 0.05 -0.05 0.00 -3.03 0.00 0.00 36.82 34.40 1gwp h ILE 135 CO -0.85 0.17 0.07 0.25 -0.68 0.00 0.00 178.15 177.10 1gwp h LEU 136 N 0.91 0.01 -0.08 1.44 6.46 0.71 0.43 115.31 125.18 1gwp h LEU 136 Ca 0.36 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 58.18 1gwp h LEU 136 Cb 0.24 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1gwp h LEU 136 CO -0.13 0.04 0.05 1.23 -0.62 0.00 0.00 178.44 179.01 1gwp h GLY 137 N 0.19 0.12 0.23 3.75 0.00 0.13 -1.40 103.07 106.09 1gwp h GLY 137 Ca 0.16 -0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.57 1gwp h GLY 137 CO -0.21 0.05 0.31 1.41 0.00 0.00 0.00 176.54 178.09 1gwp h LEU 138 N 0.06 0.31 -0.26 3.11 3.38 -0.73 0.61 115.31 121.80 1gwp h LEU 138 Ca 0.03 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1gwp h LEU 138 Cb 0.05 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1gwp h LEU 138 CO -0.01 0.14 0.13 0.78 0.09 0.00 0.00 178.44 179.58 1gwp h ASN 139 N 0.47 0.20 -0.31 -0.43 2.35 -0.50 0.30 115.58 117.67 1gwp h ASN 139 Ca 0.39 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.12 1gwp h ASN 139 Cb 0.56 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1gwp h ASN 139 CO -0.37 0.15 0.12 0.50 -1.65 0.00 0.00 177.43 176.18 1gwp h LYS 140 N 0.28 0.55 -0.05 0.81 3.64 0.13 0.18 116.57 122.12 1gwp h LYS 140 Ca 0.11 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1gwp h LYS 140 Cb 0.02 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1gwp h LYS 140 CO -0.07 0.48 0.00 0.82 -2.27 0.00 0.00 179.45 178.42 1gwp h ILE 141 N 0.54 1.24 -0.31 2.00 2.04 0.14 -2.25 117.51 120.90 1gwp h ILE 141 Ca 0.13 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1gwp h ILE 141 Cb 0.17 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1gwp h ILE 141 CO -0.01 0.20 0.20 0.58 0.00 0.00 0.00 178.15 179.12 1gwp h VAL 142 N -0.20 1.08 -0.63 1.67 2.07 0.04 0.16 116.25 120.44 1gwp h VAL 142 Ca 0.01 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1gwp h VAL 142 Cb 0.31 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1gwp h VAL 142 CO 0.00 0.08 0.27 -0.09 0.02 0.00 0.00 177.57 177.85 1gwp h ARG 143 N 0.43 0.92 0.07 1.57 1.12 -0.59 -1.18 114.38 116.71 1gwp h ARG 143 Ca 0.11 -0.14 -0.13 0.00 -1.11 0.00 0.00 59.98 58.72 1gwp h ARG 143 Cb -0.04 -0.16 0.01 0.00 -0.01 0.00 0.00 29.97 29.77 1gwp h ARG 143 CO -0.02 0.74 -0.54 1.98 -3.11 0.00 0.00 179.97 179.01 1gwp h MET 144 N 0.91 0.24 -0.37 0.20 4.05 -0.56 -3.33 114.93 116.07 1gwp h MET 144 Ca 0.22 -0.35 0.08 0.00 -0.28 0.00 0.00 59.70 59.36 1gwp h MET 144 Cb 0.15 0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 31.00 1gwp h MET 144 CO -0.02 1.13 -0.12 1.88 0.23 0.00 0.00 176.91 180.00 1gwp h TYR 145 N -0.48 -0.28 -6.39 1.39 -1.99 -0.62 -3.47 116.97 105.13 1gwp h TYR 145 Ca -0.09 0.04 -0.39 0.00 2.00 0.00 0.00 58.73 60.29 1gwp h TYR 145 Cb 1.38 0.18 0.02 0.00 2.00 0.00 0.00 36.73 40.30 1gwp h TYR 145 CO 0.20 -0.20 -1.15 -1.13 -0.00 0.00 0.00 178.16 175.88 1gwp n SER 146 N -5.32 -5.09 -4.81 3.88 3.41 -0.46 -4.90 113.62 100.33 1gwp n SER 146 Ca 0.02 -0.26 -0.30 0.00 -0.26 0.00 0.00 58.87 58.06 1gwp n SER 146 Cb 0.23 -1.51 0.08 0.00 -0.26 0.00 0.00 64.21 62.75 1gwp n SER 146 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gwp s PRO 147 N -2.65 2.26 0.36 4.33 0.04 -1.26 -4.98 135.00 133.10 1gwp s PRO 147 Ca 0.32 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1gwp s PRO 147 Cb -0.03 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1gwp s PRO 147 CO 0.84 -1.51 0.00 2.41 0.04 0.00 0.00 177.00 178.77 1gwp n THR 148 N -3.37 0.00 -3.68 1.26 -1.04 -1.26 -5.11 114.28 101.07 1gwp n THR 148 Ca 0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 1gwp n THR 148 Cb 0.56 -0.19 -0.13 0.00 -1.82 0.00 0.00 70.33 68.74 1gwp n THR 148 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1gwp s SER 149 N -3.15 0.25 0.07 8.00 1.04 -1.26 -5.01 113.70 113.64 1gwp s SER 149 Ca 0.00 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1gwp s SER 149 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1gwp s SER 149 CO 0.00 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 174.00 1gwp n ILE 150 N 5.07 0.00 -1.38 -1.02 3.06 -1.26 -5.29 119.36 118.54 1gwp n ILE 150 Ca -0.11 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 1gwp n ILE 150 Cb 0.50 -0.48 0.00 0.00 0.54 0.00 0.00 39.64 40.20 1gwp n ILE 150 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94