#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 3.07 0.25 0.52 1.01 -1.26 -1.60 121.20 123.19 1gwp s ILE 2 Ca 0.00 -1.43 0.04 0.00 0.00 0.00 0.00 60.65 59.26 1gwp s ILE 2 Cb 0.00 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1gwp s ILE 2 CO 0.00 0.08 -0.01 0.68 0.00 0.00 0.00 174.94 175.69 1gwp s VAL 3 N -1.23 1.18 -0.20 2.92 -7.23 0.66 -4.91 120.40 111.60 1gwp s VAL 3 Ca 0.20 -2.05 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1gwp s VAL 3 Cb -0.11 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 1gwp s VAL 3 CO 0.12 -0.30 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.44 1gwp s GLN 4 N -3.83 3.39 1.00 4.82 -0.21 -1.26 -1.47 119.66 122.09 1gwp s GLN 4 Ca 0.29 -0.63 -0.14 0.00 0.02 0.00 0.00 55.36 54.90 1gwp s GLN 4 Cb 0.05 -2.93 0.16 0.00 1.00 0.00 0.00 33.01 31.30 1gwp s GLN 4 CO 0.10 -0.09 0.27 0.09 -2.12 0.00 0.00 175.29 173.53 1gwp n ASN 5 N 4.47 -2.96 -0.06 5.90 3.02 0.20 -4.88 115.26 120.95 1gwp n ASN 5 Ca -0.18 -0.36 -0.09 0.00 -0.03 0.00 0.00 54.58 53.91 1gwp n ASN 5 Cb 0.51 -0.76 -0.08 0.00 -0.61 0.00 0.00 39.78 38.84 1gwp n ASN 5 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1gwp h LEU 6 N -2.62 0.00 0.25 3.41 4.07 -1.99 -3.38 115.31 115.04 1gwp h LEU 6 Ca -0.25 -0.60 -0.00 0.00 0.08 0.00 0.00 57.88 57.10 1gwp h LEU 6 Cb 0.79 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 1gwp h LEU 6 CO 0.16 0.84 -0.42 1.56 -1.08 0.00 0.00 178.44 179.50 1gwp h GLN 7 N -1.00 -0.68 0.00 1.13 7.50 -2.06 -3.46 115.11 116.54 1gwp h GLN 7 Ca -0.02 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1gwp h GLN 7 Cb 0.65 0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.34 1gwp h GLN 7 CO -0.01 -0.46 0.00 0.41 -1.50 0.00 0.00 178.83 177.27 1gwp n GLY 8 N -1.42 -1.46 3.22 3.46 0.00 -1.26 -5.18 105.19 102.54 1gwp n GLY 8 Ca -0.08 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 1gwp n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gwp s GLN 9 N 0.00 0.83 -0.20 1.61 -1.52 -1.26 -4.97 119.66 114.16 1gwp s GLN 9 Ca 0.00 -0.80 -0.05 0.00 -1.95 0.00 0.00 55.36 52.57 1gwp s GLN 9 Cb 0.00 0.35 -0.02 0.00 -0.22 0.00 0.00 33.01 33.11 1gwp s GLN 9 CO 0.00 -0.27 -0.01 -1.64 -0.25 0.00 0.00 175.29 173.12 1gwp s MET 10 N -3.40 3.60 0.03 2.91 -1.94 -1.26 0.61 119.30 119.84 1gwp s MET 10 Ca 0.01 -0.53 -0.03 0.00 -1.71 0.00 0.00 55.69 53.43 1gwp s MET 10 Cb 0.03 -3.04 -0.02 0.00 2.01 0.00 0.00 34.83 33.80 1gwp s MET 10 CO -0.09 0.03 0.05 0.14 -0.01 0.00 0.00 175.02 175.14 1gwp s VAL 11 N 0.95 0.13 0.26 -6.03 -7.23 -0.55 -4.90 120.40 103.04 1gwp s VAL 11 Ca 0.01 -1.09 -0.04 0.00 -1.81 0.00 0.00 61.98 59.04 1gwp s VAL 11 Cb -0.14 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 1gwp s VAL 11 CO 0.02 -0.60 0.51 -1.38 -0.31 0.00 0.00 175.10 173.33 1gwp s HIS 12 N -2.30 3.47 -0.34 2.82 -3.43 -1.26 -0.24 115.29 114.01 1gwp s HIS 12 Ca -0.08 0.59 0.06 0.00 -0.80 0.00 0.00 55.06 54.83 1gwp s HIS 12 Cb -0.03 -2.05 0.45 0.00 -1.43 0.00 0.00 32.58 29.52 1gwp s HIS 12 CO -0.04 0.24 1.24 0.94 -2.00 0.00 0.00 174.74 175.12 1gwp n GLN 13 N -0.76 3.54 -0.21 -0.38 7.27 -0.63 -4.84 117.38 121.37 1gwp n GLN 13 Ca -0.02 -4.15 0.03 0.00 0.07 0.00 0.00 57.00 52.92 1gwp n GLN 13 Cb 0.54 -2.28 -0.01 0.00 2.41 0.00 0.00 30.24 30.90 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 -0.69 -1.10 -2.43 1.69 0.00 -1.26 -4.83 120.51 111.88 1gwp n ALA 14 Ca 0.45 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.81 1gwp n ALA 14 Cb 0.91 -0.33 0.08 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.14 0.00 -4.51 0.00 3.06 -1.26 -4.03 119.36 111.48 1gwp n ILE 15 Ca 0.00 -0.95 -0.25 0.00 -2.50 0.00 0.00 62.75 59.05 1gwp n ILE 15 Cb 0.10 -1.11 -0.14 0.00 0.54 0.00 0.00 39.64 39.03 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 -3.53 2.44 0.14 9.51 0.15 -1.26 -5.04 113.70 116.11 1gwp s SER 16 Ca 0.41 -0.57 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 1gwp s SER 16 Cb -0.02 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1gwp s SER 16 CO 0.27 0.12 1.35 1.55 1.20 0.00 0.00 173.24 177.73 1gwp h PRO 17 N 4.63 0.41 -0.16 5.44 0.13 -2.00 -1.71 132.00 138.75 1gwp h PRO 17 Ca -0.43 -0.40 -0.11 0.00 -0.87 0.00 0.00 66.00 64.18 1gwp h PRO 17 Cb 1.17 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1gwp h PRO 17 CO 0.42 1.06 -0.38 0.00 -0.23 0.00 0.00 178.00 178.87 1gwp h ARG 18 N 0.25 0.35 0.03 0.86 3.08 -1.97 0.40 114.38 117.38 1gwp h ARG 18 Ca -0.06 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1gwp h ARG 18 Cb 1.48 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1gwp h ARG 18 CO 0.15 0.69 -0.01 1.15 -1.07 0.00 0.00 179.97 180.87 1gwp h THR 19 N 0.30 1.40 -0.65 2.04 2.02 -1.97 -1.41 112.91 114.64 1gwp h THR 19 Ca 0.03 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.63 1gwp h THR 19 Cb 0.81 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 69.59 1gwp h THR 19 CO 0.07 0.38 0.19 -0.07 0.37 0.00 0.00 175.52 176.45 1gwp h LEU 20 N -0.72 0.96 0.82 2.58 3.38 -1.29 0.32 115.31 121.35 1gwp h LEU 20 Ca -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1gwp h LEU 20 Cb 0.65 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1gwp h LEU 20 CO 0.01 0.92 -0.48 -1.13 0.09 0.00 0.00 178.44 177.85 1gwp h ASN 21 N 0.95 -1.19 -0.72 -0.43 -0.73 -0.26 0.18 115.58 113.38 1gwp h ASN 21 Ca 0.21 0.06 0.13 0.00 1.87 0.00 0.00 56.30 58.57 1gwp h ASN 21 Cb 0.32 0.34 -0.09 0.00 0.27 0.00 0.00 38.32 39.16 1gwp h ASN 21 CO -0.00 -0.75 0.28 0.00 -0.37 0.00 0.00 177.43 176.59 1gwp h ALA 22 N -1.12 0.99 0.30 1.57 0.00 -1.17 -0.70 119.26 119.13 1gwp h ALA 22 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gwp h ALA 22 Cb 0.96 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1gwp h ALA 22 CO 0.13 -0.20 -0.49 2.35 0.00 0.00 0.00 179.25 181.04 1gwp h TRP 23 N 0.44 -1.38 -0.94 0.00 2.91 -0.51 0.65 115.95 117.12 1gwp h TRP 23 Ca 0.39 0.02 0.28 0.00 1.13 0.00 0.00 58.89 60.71 1gwp h TRP 23 Cb 0.56 0.56 -0.15 0.00 -0.51 0.00 0.00 29.16 29.63 1gwp h TRP 23 CO -0.17 -0.61 0.37 0.28 -1.03 0.00 0.00 178.44 177.28 1gwp h VAL 24 N -0.85 0.28 -0.44 2.65 2.07 0.61 1.72 116.25 122.28 1gwp h VAL 24 Ca -0.03 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 1gwp h VAL 24 Cb 0.80 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1gwp h VAL 24 CO -0.17 0.04 -0.16 0.11 0.02 0.00 0.00 177.57 177.42 1gwp h LYS 25 N 0.24 0.84 -0.45 1.57 6.56 0.35 0.28 116.57 125.96 1gwp h LYS 25 Ca 0.64 -0.31 -0.02 0.00 -1.06 0.00 0.00 60.65 59.90 1gwp h LYS 25 Cb 1.39 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.97 1gwp h LYS 25 CO -0.66 0.94 0.19 0.28 -2.06 0.00 0.00 179.45 178.14 1gwp h VAL 26 N 0.74 1.20 -0.44 0.50 2.07 0.81 0.14 116.25 121.27 1gwp h VAL 26 Ca 0.11 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1gwp h VAL 26 Cb 0.67 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1gwp h VAL 26 CO 0.05 0.22 -0.19 0.58 0.02 0.00 0.00 177.57 178.24 1gwp h VAL 27 N 0.58 1.27 -0.11 2.57 2.07 0.13 0.54 116.25 123.29 1gwp h VAL 27 Ca 0.15 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1gwp h VAL 27 Cb 0.17 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1gwp h VAL 27 CO -0.01 0.46 -0.03 -0.08 0.02 0.00 0.00 177.57 177.92 1gwp h GLU 28 N 0.74 0.16 0.12 1.57 4.81 -0.09 1.55 114.58 123.44 1gwp h GLU 28 Ca 0.10 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.99 1gwp h GLU 28 Cb 0.76 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1gwp h GLU 28 CO 0.06 0.21 -1.62 1.49 -0.73 0.00 0.00 179.01 178.42 1gwp h GLU 29 N 0.16 0.25 0.00 1.92 4.81 -0.35 -3.44 114.58 117.93 1gwp h GLU 29 Ca 0.04 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1gwp h GLU 29 Cb 0.17 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1gwp h GLU 29 CO 0.01 1.10 0.00 1.63 -0.73 0.00 0.00 179.01 181.01 1gwp n LYS 30 N -3.44 0.00 -0.87 1.92 4.01 0.18 -4.95 118.16 115.02 1gwp n LYS 30 Ca -0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1gwp n LYS 30 Cb 1.05 -0.13 0.00 0.00 -0.51 0.00 0.00 35.03 35.44 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1gwp n ALA 31 N -1.78 -1.24 -3.26 7.82 0.00 0.53 -4.69 120.51 117.88 1gwp n ALA 31 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1gwp n ALA 31 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.46 -2.53 -2.90 0.00 3.01 -1.26 -5.02 117.46 108.30 1gwp n PHE 32 Ca 0.00 0.88 -0.19 0.00 1.01 0.00 0.00 57.45 59.15 1gwp n PHE 32 Cb 0.17 -4.03 0.04 0.00 -0.01 0.00 0.00 39.48 35.65 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 -3.30 5.32 0.00 4.37 0.01 -1.26 -4.84 113.70 114.01 1gwp s SER 33 Ca 0.34 -0.43 0.24 0.00 1.31 0.00 0.00 55.95 57.41 1gwp s SER 33 Cb -0.06 -0.41 1.34 0.00 0.21 0.00 0.00 66.02 67.10 1gwp s SER 33 CO 0.76 -1.08 1.78 -0.81 0.41 0.00 0.00 173.24 174.29 1gwp n PRO 34 N -2.14 0.62 -0.19 12.44 -0.04 -1.26 -2.27 135.00 142.15 1gwp n PRO 34 Ca 0.10 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1gwp n PRO 34 Cb 0.60 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.09 1.27 -0.00 0.54 2.13 -1.26 -4.53 120.64 117.70 1gwp n GLU 35 Ca 0.16 -2.63 0.05 0.00 0.66 0.00 0.00 57.16 55.40 1gwp n GLU 35 Cb 0.11 -1.46 -0.06 0.00 0.27 0.00 0.00 31.44 30.29 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1gwp n VAL 36 N -1.31 0.00 -0.12 6.31 0.31 -0.96 -4.18 118.33 118.38 1gwp n VAL 36 Ca 0.16 -0.25 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 1gwp n VAL 36 Cb 0.66 0.90 -0.03 0.00 -0.91 0.00 0.00 33.84 34.46 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 1.28 -0.02 2.52 1.08 -1.80 -0.42 117.51 120.16 1gwp h ILE 37 Ca 0.00 -1.31 -0.20 0.00 -0.39 0.00 0.00 64.86 62.96 1gwp h ILE 37 Cb 0.28 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1gwp h ILE 37 CO 0.00 0.43 -0.84 1.55 -0.69 0.00 0.00 178.15 178.60 1gwp h PRO 38 N 0.55 0.31 -0.39 2.37 0.13 -1.88 -1.79 132.00 131.30 1gwp h PRO 38 Ca 0.08 -0.31 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1gwp h PRO 38 Cb 0.73 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1gwp h PRO 38 CO 0.05 0.99 -0.21 0.52 -0.23 0.00 0.00 178.00 179.12 1gwp h MET 39 N 0.19 0.77 -0.05 0.86 2.86 -1.70 -0.59 114.93 117.26 1gwp h MET 39 Ca -0.05 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.18 1gwp h MET 39 Cb 1.44 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.07 1gwp h MET 39 CO 0.14 0.92 -0.38 0.35 1.06 0.00 0.00 176.91 178.99 1gwp h PHE 40 N 0.68 0.49 -0.61 -0.22 3.57 -1.07 0.25 116.94 120.03 1gwp h PHE 40 Ca 0.10 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1gwp h PHE 40 Cb 0.72 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1gwp h PHE 40 CO 0.04 0.99 0.32 0.66 -2.23 0.00 0.00 178.31 178.09 1gwp h SER 41 N -0.15 0.75 0.36 0.41 4.64 -1.29 -1.04 113.55 117.22 1gwp h SER 41 Ca -0.03 -0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.01 1gwp h SER 41 Cb 1.05 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1gwp h SER 41 CO 0.08 0.61 -0.93 0.00 -0.87 0.00 0.00 176.83 175.72 1gwp h ALA 42 N 1.51 0.39 -0.62 5.18 0.00 -1.10 -1.23 119.26 123.38 1gwp h ALA 42 Ca 0.21 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1gwp h ALA 42 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1gwp h ALA 42 CO -0.03 0.82 0.37 -0.07 0.00 0.00 0.00 179.25 180.34 1gwp h LEU 43 N 0.22 0.60 0.00 0.00 3.38 -0.05 -3.33 115.31 116.13 1gwp h LEU 43 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1gwp h LEU 43 Cb 1.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1gwp h LEU 43 CO 0.16 0.41 0.00 -0.24 0.09 0.00 0.00 178.44 178.86 1gwp n SER 44 N -4.74 0.00 0.00 -0.43 2.88 -0.48 -4.90 113.62 105.95 1gwp n SER 44 Ca 0.06 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1gwp n SER 44 Cb 0.10 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1gwp n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1gwp n GLU 45 N -0.70 0.00 0.00 -1.46 0.00 -0.47 -3.89 120.64 114.12 1gwp n GLU 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1gwp n GLU 45 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 31.44 30.42 1gwp n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gwp n GLY 46 N -2.00 0.00 3.73 8.31 0.00 -1.26 -4.79 105.19 109.18 1gwp n GLY 46 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 1.75 0.90 4.61 0.00 -1.25 -4.35 121.76 123.42 1gwp s ALA 47 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1gwp s ALA 47 Cb 0.00 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1gwp s ALA 47 CO 0.00 -2.18 0.42 0.25 0.00 0.00 0.00 175.76 174.25 1gwp n THR 48 N -3.78 0.00 0.09 0.00 -2.24 -1.26 -4.62 114.28 102.47 1gwp n THR 48 Ca 0.08 -0.37 -0.08 0.00 -2.27 0.00 0.00 64.05 61.41 1gwp n THR 48 Cb 0.55 -1.71 0.03 0.00 -2.10 0.00 0.00 70.33 67.09 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 0.20 0.01 -0.78 0.13 -1.94 -1.43 132.00 128.20 1gwp h PRO 49 Ca -0.14 -0.19 -0.24 0.00 -0.87 0.00 0.00 66.00 64.56 1gwp h PRO 49 Cb 0.40 0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.59 1gwp h PRO 49 CO 0.10 0.90 -1.00 0.37 -0.23 0.00 0.00 178.00 178.15 1gwp h GLN 50 N 0.12 0.50 0.42 0.86 5.75 -1.96 0.33 115.11 121.13 1gwp h GLN 50 Ca -0.03 -0.55 -0.02 0.00 -0.15 0.00 0.00 58.65 57.90 1gwp h GLN 50 Cb 1.39 0.16 0.00 0.00 1.07 0.00 0.00 27.48 30.11 1gwp h GLN 50 CO 0.12 1.19 -0.20 -0.44 -2.65 0.00 0.00 178.83 176.85 1gwp h ASP 51 N 0.27 -0.48 -0.98 -0.69 5.19 -1.92 -0.54 116.42 117.28 1gwp h ASP 51 Ca -0.10 -0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.21 1gwp h ASP 51 Cb 1.64 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 41.23 1gwp h ASP 51 CO 0.18 -0.08 0.64 -0.07 -3.12 0.00 0.00 179.24 176.79 1gwp h LEU 52 N -0.97 1.13 -0.65 1.55 3.38 -1.36 0.63 115.31 119.01 1gwp h LEU 52 Ca -0.06 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1gwp h LEU 52 Cb 0.56 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1gwp h LEU 52 CO 0.09 0.83 0.39 -1.13 0.09 0.00 0.00 178.44 178.71 1gwp h ASN 53 N 1.33 0.61 0.16 -0.43 -1.24 -0.90 0.67 115.58 115.79 1gwp h ASN 53 Ca 0.36 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.27 1gwp h ASN 53 Cb -0.14 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 1gwp h ASN 53 CO -0.08 0.42 -0.38 0.00 -1.29 0.00 0.00 177.43 176.10 1gwp h THR 54 N 0.75 1.30 -0.53 -3.57 1.03 -0.12 0.15 112.91 111.91 1gwp h THR 54 Ca 0.27 -1.46 -0.08 0.00 -0.01 0.00 0.00 66.41 65.14 1gwp h THR 54 Cb 0.08 1.61 -0.02 0.00 -1.07 0.00 0.00 68.15 68.75 1gwp h THR 54 CO -0.13 0.44 0.03 -0.03 -0.01 0.00 0.00 175.52 175.82 1gwp h MET 55 N 0.25 0.92 -0.01 0.00 4.05 0.45 0.40 114.93 120.99 1gwp h MET 55 Ca 0.03 -0.28 -0.12 0.00 -0.28 0.00 0.00 59.70 59.05 1gwp h MET 55 Cb 0.78 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 31.50 1gwp h MET 55 CO 0.06 0.92 -0.45 -0.07 0.23 0.00 0.00 176.91 177.60 1gwp h LEU 56 N 0.79 0.42 -1.96 3.39 3.38 -0.75 -3.10 115.31 117.48 1gwp h LEU 56 Ca 0.15 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1gwp h LEU 56 Cb 0.48 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1gwp h LEU 56 CO 0.02 1.11 -0.10 0.78 0.09 0.00 0.00 178.44 180.34 1gwp h ASN 57 N -0.22 0.00 -0.85 -0.43 2.35 -0.65 -1.63 115.58 114.15 1gwp h ASN 57 Ca -0.05 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1gwp h ASN 57 Cb 1.17 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.49 1gwp h ASN 57 CO 0.09 0.10 0.56 0.74 -1.65 0.00 0.00 177.43 177.27 1gwp h THR 58 N 0.00 1.22 -1.62 2.81 2.02 -0.11 -3.44 112.91 113.79 1gwp h THR 58 Ca -0.00 -0.40 -0.44 0.00 0.77 0.00 0.00 66.41 66.33 1gwp h THR 58 Cb 0.24 -0.03 0.23 0.00 -1.74 0.00 0.00 68.15 66.85 1gwp h THR 58 CO 0.01 0.21 -1.79 0.55 0.37 0.00 0.00 175.52 174.87 1gwp n VAL 59 N -4.40 0.00 0.00 3.16 3.14 -0.62 -4.92 118.33 114.70 1gwp n VAL 59 Ca 0.10 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1gwp n VAL 59 Cb 0.03 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.51 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 2.78 -2.84 0.00 7.55 0.00 -1.26 -4.91 105.19 106.51 1gwp n GLY 60 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.72 -1.00 3.54 -0.02 0.00 -1.26 -5.10 105.19 100.64 1gwp n GLY 61 Ca 0.00 0.43 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 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 2.33 0.09 1.61 3.76 -1.26 -4.85 115.29 116.98 1gwp s HIS 62 Ca 0.00 -0.15 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 1gwp s HIS 62 Cb 0.00 -4.61 -0.08 0.00 1.11 0.00 0.00 32.58 29.00 1gwp s HIS 62 CO 0.00 -2.04 1.44 0.37 -0.85 0.00 0.00 174.74 173.66 1gwp h GLN 63 N 9.98 0.65 0.00 1.40 4.15 -1.99 0.15 115.11 129.45 1gwp h GLN 63 Ca -0.25 -0.31 -0.00 0.00 0.77 0.00 0.00 58.65 58.87 1gwp h GLN 63 Cb 1.05 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1gwp h GLN 63 CO 1.28 0.90 -0.00 0.00 -1.93 0.00 0.00 178.83 179.08 1gwp h ALA 64 N 0.73 -0.00 0.02 3.38 0.00 -1.99 0.41 119.26 121.80 1gwp h ALA 64 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gwp h ALA 64 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1gwp h ALA 64 CO 0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 179.25 178.83 1gwp h ALA 65 N 0.86 -0.05 -0.77 0.00 0.00 -1.95 -1.24 119.26 116.11 1gwp h ALA 65 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1gwp h ALA 65 Cb 0.14 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1gwp h ALA 65 CO 0.00 -0.54 0.50 0.52 0.00 0.00 0.00 179.25 179.74 1gwp h MET 66 N -0.07 0.88 0.49 0.00 2.07 -0.54 -0.37 114.93 117.40 1gwp h MET 66 Ca 0.01 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.56 1gwp h MET 66 Cb 0.08 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 29.62 1gwp h MET 66 CO -0.03 0.58 -0.24 0.37 1.07 0.00 0.00 176.91 178.67 1gwp h GLN 67 N 0.91 -0.64 -0.46 1.72 5.75 0.53 0.56 115.11 123.48 1gwp h GLN 67 Ca 0.31 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.87 1gwp h GLN 67 Cb 0.10 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1gwp h GLN 67 CO -0.10 -0.42 0.30 1.98 -2.65 0.00 0.00 178.83 177.95 1gwp h MET 68 N -0.67 0.58 -0.36 1.69 4.05 -0.85 -0.49 114.93 118.88 1gwp h MET 68 Ca -0.07 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.22 1gwp h MET 68 Cb 0.51 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1gwp h MET 68 CO 0.11 0.39 -0.16 1.25 0.23 0.00 0.00 176.91 178.73 1gwp h LEU 69 N 0.60 0.66 -0.12 3.39 6.46 -0.66 -1.01 115.31 124.63 1gwp h LEU 69 Ca 0.17 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1gwp h LEU 69 Cb -0.04 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.71 1gwp h LEU 69 CO -0.04 0.83 -0.03 0.50 -0.62 0.00 0.00 178.44 179.08 1gwp h LYS 70 N 0.60 0.23 -0.45 1.25 3.11 0.60 -1.00 116.57 120.91 1gwp h LYS 70 Ca 0.10 -0.09 0.05 0.00 -2.81 0.00 0.00 60.65 57.90 1gwp h LYS 70 Cb 0.61 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.78 1gwp h LYS 70 CO 0.04 0.54 0.18 1.49 -2.81 0.00 0.00 179.45 178.89 1gwp h GLU 71 N -0.09 0.35 0.88 1.90 4.57 -0.98 0.18 114.58 121.39 1gwp h GLU 71 Ca 0.03 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1gwp h GLU 71 Cb 0.46 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1gwp h GLU 71 CO 0.01 0.23 -0.46 1.15 -1.18 0.00 0.00 179.01 178.77 1gwp h THR 72 N 0.36 0.00 -0.64 0.32 2.02 -1.12 0.69 112.91 114.55 1gwp h THR 72 Ca 0.21 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.52 1gwp h THR 72 Cb 0.18 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.47 1gwp h THR 72 CO -0.19 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 176.00 1gwp h ILE 73 N -1.23 0.40 -0.64 3.11 2.04 -0.99 1.03 117.51 121.23 1gwp h ILE 73 Ca -0.12 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1gwp h ILE 73 Cb 0.95 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1gwp h ILE 73 CO 0.17 0.01 0.42 -1.13 0.00 0.00 0.00 178.15 177.63 1gwp h ASN 74 N 0.04 0.47 0.51 1.72 -1.24 -0.42 -0.71 115.58 115.95 1gwp h ASN 74 Ca 0.32 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.31 1gwp h ASN 74 Cb 0.51 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 39.47 1gwp h ASN 74 CO -0.62 0.29 -0.25 -0.08 -1.29 0.00 0.00 177.43 175.48 1gwp h GLU 75 N 0.52 -0.66 -1.08 6.67 4.81 0.35 -1.07 114.58 124.11 1gwp h GLU 75 Ca 0.29 0.05 0.29 0.00 -0.13 0.00 0.00 59.36 59.86 1gwp h GLU 75 Cb 0.45 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.89 1gwp h GLU 75 CO -0.09 -0.44 0.70 0.93 -0.73 0.00 0.00 179.01 179.38 1gwp h GLU 76 N -0.82 0.32 -0.01 1.92 4.39 -0.75 0.38 114.58 120.00 1gwp h GLU 76 Ca -0.07 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1gwp h GLU 76 Cb 0.53 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1gwp h GLU 76 CO 0.12 0.21 0.01 0.00 -1.16 0.00 0.00 179.01 178.18 1gwp h ALA 77 N 1.61 0.02 -0.41 3.43 0.00 -0.98 0.27 119.26 123.20 1gwp h ALA 77 Ca 0.62 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.52 1gwp h ALA 77 Cb 1.69 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 1gwp h ALA 77 CO -0.30 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.56 1gwp h ALA 78 N 0.83 0.38 -0.67 0.00 0.00 0.10 0.92 119.26 120.83 1gwp h ALA 78 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1gwp h ALA 78 Cb 0.17 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1gwp h ALA 78 CO -0.00 -0.39 0.44 1.49 0.00 0.00 0.00 179.25 180.79 1gwp h GLU 79 N 0.11 0.88 -0.20 0.00 4.81 -0.98 -1.02 114.58 118.18 1gwp h GLU 79 Ca 0.20 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1gwp h GLU 79 Cb 0.29 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1gwp h GLU 79 CO -0.34 0.58 0.07 2.35 -0.73 0.00 0.00 179.01 180.95 1gwp h TRP 80 N 0.91 0.13 -0.30 0.92 2.91 0.13 0.44 115.95 121.10 1gwp h TRP 80 Ca 0.24 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.30 1gwp h TRP 80 Cb -0.10 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.49 1gwp h TRP 80 CO 0.00 0.07 0.11 0.22 -1.03 0.00 0.00 178.44 177.81 1gwp h ASP 81 N 0.17 0.13 -0.88 2.65 1.82 -0.24 0.49 116.42 120.58 1gwp h ASP 81 Ca 0.09 0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.78 1gwp h ASP 81 Cb 0.05 0.01 -0.05 0.00 0.68 0.00 0.00 39.33 40.02 1gwp h ASP 81 CO -0.09 0.11 0.58 -0.09 -1.61 0.00 0.00 179.24 178.14 1gwp h ARG 82 N 0.25 1.08 0.00 0.28 2.43 -0.53 -3.33 114.38 114.55 1gwp h ARG 82 Ca 0.13 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1gwp h ARG 82 Cb 0.09 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1gwp h ARG 82 CO -0.13 0.71 0.00 1.28 -1.51 0.00 0.00 179.97 180.33 1gwp n LEU 83 N -4.44 1.33 -4.62 3.80 4.77 0.15 -4.71 117.00 113.28 1gwp n LEU 83 Ca 0.11 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.73 1gwp n LEU 83 Cb 0.09 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1gwp n LEU 83 CO 0.35 0.00 1.37 -1.00 -1.33 0.00 0.00 177.39 176.79 1gwp s HIS 84 N -0.13 2.11 0.79 -1.77 3.76 0.16 -4.98 115.29 115.23 1gwp s HIS 84 Ca 0.00 0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 55.39 1gwp s HIS 84 Cb 0.00 -4.04 0.07 0.00 1.11 0.00 0.00 32.58 29.71 1gwp s HIS 84 CO 0.00 -2.77 1.10 -1.25 -0.85 0.00 0.00 174.74 170.97 1gwp s PRO 85 N 4.87 2.12 -0.32 8.40 0.04 -1.26 -4.34 135.00 144.51 1gwp s PRO 85 Ca 0.71 0.65 0.03 0.00 0.04 0.00 0.00 61.00 62.44 1gwp s PRO 85 Cb -0.23 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.63 1gwp s PRO 85 CO 0.30 -1.60 1.28 1.55 0.04 0.00 0.00 177.00 178.58 1gwp n VAL 86 N -3.42 0.00 -2.89 -0.36 3.14 -1.26 -4.80 118.33 108.74 1gwp n VAL 86 Ca 0.07 -0.67 -0.12 0.00 -2.96 0.00 0.00 64.34 60.66 1gwp n VAL 86 Cb 0.56 0.91 0.04 0.00 -1.06 0.00 0.00 33.84 34.29 1gwp n VAL 86 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1gwp n HIS 87 N 0.13 -1.17 -3.85 1.45 -0.00 -1.26 -5.01 115.22 105.51 1gwp n HIS 87 Ca -0.13 -2.83 0.01 0.00 0.46 0.00 0.00 57.72 55.23 1gwp n HIS 87 Cb 0.72 0.60 0.01 0.00 -0.12 0.00 0.00 29.99 31.20 1gwp n HIS 87 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1gwp s ALA 88 N -1.18 -2.14 0.24 1.57 0.00 -1.26 -5.14 121.76 113.85 1gwp s ALA 88 Ca 0.29 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1gwp s ALA 88 Cb 0.35 0.71 0.00 0.00 0.00 0.00 0.00 23.12 24.17 1gwp s ALA 88 CO -0.06 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1gwp n GLY 89 N -0.72 -5.38 3.04 0.00 0.00 -1.26 -4.62 105.19 96.24 1gwp n GLY 89 Ca -0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1gwp n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gwp n PRO 90 N 1.72 2.19 -0.76 1.61 -0.04 -1.26 -4.94 135.00 133.52 1gwp n PRO 90 Ca 0.00 -2.33 -0.33 0.00 -0.04 0.00 0.00 63.50 60.80 1gwp n PRO 90 Cb 0.00 -3.19 0.14 0.00 -0.04 0.00 0.00 33.50 30.41 1gwp n PRO 90 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1gwp n ILE 91 N 5.85 0.00 -2.03 0.52 3.06 -1.26 -4.92 119.36 120.58 1gwp n ILE 91 Ca 0.50 -0.25 -0.33 0.00 -2.50 0.00 0.00 62.75 60.17 1gwp n ILE 91 Cb 0.41 -0.51 0.02 0.00 0.54 0.00 0.00 39.64 40.10 1gwp n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1gwp s ALA 92 N -2.24 2.67 -1.09 1.51 0.00 -1.26 -4.91 121.76 116.44 1gwp s ALA 92 Ca 0.53 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 1gwp s ALA 92 Cb -0.12 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1gwp s ALA 92 CO 0.67 -0.89 1.76 -1.25 0.00 0.00 0.00 175.76 176.05 1gwp s PRO 93 N -3.93 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 131.14 1gwp s PRO 93 Ca 0.66 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1gwp s PRO 93 Cb -0.18 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1gwp s PRO 93 CO 0.36 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 174.88 1gwp n GLY 94 N 6.30 0.17 3.76 0.56 0.00 -1.26 -5.12 105.19 109.59 1gwp n GLY 94 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 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 4.64 0.45 1.61 -1.52 -0.79 -5.01 119.66 119.05 1gwp s GLN 95 Ca 0.00 1.27 -0.25 0.00 -1.95 0.00 0.00 55.36 54.43 1gwp s GLN 95 Cb 0.00 -3.31 -0.08 0.00 -0.22 0.00 0.00 33.01 29.40 1gwp s GLN 95 CO 0.00 0.44 1.36 -0.12 -0.25 0.00 0.00 175.29 176.72 1gwp n MET 96 N 2.01 2.06 -4.84 2.91 1.56 -1.26 -4.82 117.12 114.73 1gwp n MET 96 Ca -0.03 0.73 -0.29 0.00 -0.27 0.00 0.00 57.70 57.85 1gwp n MET 96 Cb 0.49 -2.53 -0.15 0.00 2.15 0.00 0.00 33.22 33.18 1gwp n MET 96 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1gwp s ARG 97 N -2.41 1.69 -0.21 2.12 0.52 -1.26 -5.03 118.95 114.37 1gwp s ARG 97 Ca 0.62 -1.05 -0.36 0.00 -0.52 0.00 0.00 55.73 54.43 1gwp s ARG 97 Cb -0.47 -1.83 -0.12 0.00 0.52 0.00 0.00 34.95 33.05 1gwp s ARG 97 CO 0.57 0.47 1.94 0.39 0.02 0.00 0.00 175.30 178.69 1gwp n GLU 98 N 1.83 1.63 -2.51 3.54 -0.58 -1.26 -4.90 120.64 118.39 1gwp n GLU 98 Ca -0.17 0.56 -0.40 0.00 -0.42 0.00 0.00 57.16 56.73 1gwp n GLU 98 Cb 0.52 -2.49 -0.04 0.00 -0.57 0.00 0.00 31.44 28.86 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1gwp s PRO 99 N 4.59 4.66 -0.37 3.49 0.04 -1.26 -4.74 135.00 141.41 1gwp s PRO 99 Ca 0.99 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.80 1gwp s PRO 99 Cb -0.82 -3.21 0.37 0.00 0.04 0.00 0.00 34.50 30.89 1gwp s PRO 99 CO 0.54 0.24 1.82 0.54 0.04 0.00 0.00 177.00 180.18 1gwp n ARG 100 N 1.33 1.98 0.00 4.56 1.74 -1.26 -4.86 116.66 120.15 1gwp n ARG 100 Ca -0.01 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 1gwp n ARG 100 Cb 0.45 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1gwp n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gwp n GLY 101 N -0.35 1.63 0.34 -0.13 0.00 -1.26 -3.34 105.19 102.08 1gwp n GLY 101 Ca 0.41 -0.14 0.22 0.00 0.00 0.00 0.00 46.02 46.51 1gwp n GLY 101 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1gwp h SER 102 N 0.00 0.54 -0.23 1.61 0.87 -1.89 1.35 113.55 115.80 1gwp h SER 102 Ca 0.00 0.18 -0.14 0.00 -1.23 0.00 0.00 61.79 60.60 1gwp h SER 102 Cb 0.00 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1gwp h SER 102 CO 0.00 -0.09 -0.36 0.44 -0.53 0.00 0.00 176.83 176.29 1gwp h ASP 103 N 0.38 0.81 0.00 6.23 3.32 -1.92 -2.13 116.42 123.11 1gwp h ASP 103 Ca 0.71 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1gwp h ASP 103 Cb 1.58 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1gwp h ASP 103 CO -0.58 1.09 0.12 0.40 -1.72 0.00 0.00 179.24 178.54 1gwp h ILE 104 N 0.63 0.00 0.00 0.35 2.04 0.14 0.95 117.51 121.62 1gwp h ILE 104 Ca 0.06 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 1gwp h ILE 104 Cb 0.91 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1gwp h ILE 104 CO 0.08 0.00 -0.85 0.00 0.00 0.00 0.00 178.15 177.38 1gwp h ALA 105 N 1.73 0.67 0.00 1.87 0.00 -0.67 -3.45 119.26 119.41 1gwp h ALA 105 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1gwp h ALA 105 Cb 0.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gwp h ALA 105 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1gwp n GLY 106 N 1.25 0.60 0.30 0.00 0.00 0.33 -4.95 105.19 102.72 1gwp n GLY 106 Ca -0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 1.26 0.00 2.61 2.02 -1.74 -3.30 112.91 113.77 1gwp h THR 107 Ca 0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1gwp h THR 107 Cb 0.00 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1gwp h THR 107 CO 0.00 0.41 -0.60 0.41 0.37 0.00 0.00 175.52 176.10 1gwp n THR 108 N -4.18 0.00 -4.36 3.16 -1.04 -1.26 -5.03 114.28 101.56 1gwp n THR 108 Ca 0.03 -0.26 -0.24 0.00 -2.04 0.00 0.00 64.05 61.54 1gwp n THR 108 Cb 0.34 0.74 -0.08 0.00 -1.82 0.00 0.00 70.33 69.50 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1gwp s SER 109 N -1.78 4.16 0.57 8.00 1.04 -1.24 -5.11 113.70 119.35 1gwp s SER 109 Ca 0.00 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 55.65 1gwp s SER 109 Cb 0.02 -0.60 0.07 0.00 0.10 0.00 0.00 66.02 65.60 1gwp s SER 109 CO 0.13 -0.04 0.56 0.42 0.98 0.00 0.00 173.24 175.29 1gwp s THR 110 N -2.43 1.72 0.23 2.02 -4.23 -1.26 -4.18 115.64 107.51 1gwp s THR 110 Ca 0.32 -1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 59.45 1gwp s THR 110 Cb -0.05 -2.04 0.19 0.00 1.34 0.00 0.00 72.50 71.95 1gwp s THR 110 CO 0.18 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.33 1gwp h LEU 111 N 0.49 0.65 -0.54 4.79 5.85 -1.98 -0.83 115.31 123.74 1gwp h LEU 111 Ca -0.33 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1gwp h LEU 111 Cb 1.30 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1gwp h LEU 111 CO 0.51 0.39 0.25 -0.61 -0.34 0.00 0.00 178.44 178.64 1gwp h GLN 112 N 0.78 0.46 -0.47 1.25 4.15 -1.99 0.04 115.11 119.34 1gwp h GLN 112 Ca 0.37 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.77 1gwp h GLN 112 Cb 0.29 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1gwp h GLN 112 CO -0.22 0.30 0.30 0.93 -1.93 0.00 0.00 178.83 178.22 1gwp h GLU 113 N 0.47 0.60 -0.32 1.69 3.07 -1.58 -0.69 114.58 117.82 1gwp h GLU 113 Ca 0.25 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1gwp h GLU 113 Cb 0.21 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1gwp h GLU 113 CO -0.21 0.40 0.12 1.96 -1.40 0.00 0.00 179.01 179.89 1gwp h GLN 114 N 0.62 0.26 -0.89 2.33 7.50 -0.36 0.36 115.11 124.93 1gwp h GLN 114 Ca 0.17 -0.02 0.04 0.00 0.50 0.00 0.00 58.65 59.35 1gwp h GLN 114 Cb -0.06 -0.06 -0.05 0.00 0.05 0.00 0.00 27.48 27.36 1gwp h GLN 114 CO -0.04 0.17 0.58 0.82 -1.50 0.00 0.00 178.83 178.86 1gwp h ILE 115 N 0.27 1.12 0.12 2.54 5.03 -0.61 -0.28 117.51 125.72 1gwp h ILE 115 Ca 0.14 -0.37 -0.01 0.00 -0.12 0.00 0.00 64.86 64.51 1gwp h ILE 115 Cb 0.10 -0.05 0.00 0.00 -3.03 0.00 0.00 36.82 33.84 1gwp h ILE 115 CO -0.14 0.20 -0.06 1.23 -0.68 0.00 0.00 178.15 178.70 1gwp h GLY 116 N 1.08 -0.17 1.11 5.37 0.00 0.08 1.02 103.07 111.56 1gwp h GLY 116 Ca 0.36 0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.84 1gwp h GLY 116 CO -0.12 -0.06 0.39 1.49 0.00 0.00 0.00 176.54 178.24 1gwp h TRP 117 N -0.31 0.46 0.00 5.60 6.55 -0.45 0.69 115.95 128.50 1gwp h TRP 117 Ca -0.02 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1gwp h TRP 117 Cb 0.25 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 1gwp h TRP 117 CO -0.02 0.23 -0.35 1.98 -1.05 0.00 0.00 178.44 179.23 1gwp h MET 118 N 0.45 0.00 -0.28 0.49 4.05 -0.46 0.68 114.93 119.85 1gwp h MET 118 Ca 0.26 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.67 1gwp h MET 118 Cb 0.45 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1gwp h MET 118 CO -0.07 0.00 0.00 2.41 0.23 0.00 0.00 176.91 179.48 1gwp n THR 119 N -2.50 2.34 -4.09 -0.77 -1.04 0.35 -4.49 114.28 104.08 1gwp n THR 119 Ca 0.04 -1.90 -0.23 0.00 -2.04 0.00 0.00 64.05 59.91 1gwp n THR 119 Cb 0.48 -0.26 -0.06 0.00 -1.82 0.00 0.00 70.33 68.66 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 -2.85 2.68 -0.22 -1.42 4.02 0.19 -4.94 115.29 112.75 1gwp s HIS 120 Ca 0.43 -0.43 -0.03 0.00 1.02 0.00 0.00 55.06 56.05 1gwp s HIS 120 Cb 0.35 -1.72 0.00 0.00 -1.02 0.00 0.00 32.58 30.19 1gwp s HIS 120 CO 0.09 0.30 -0.08 -0.80 1.02 0.00 0.00 174.74 175.27 1gwp s ASN 121 N -3.86 4.05 0.75 1.40 -0.87 -1.26 0.46 114.94 115.61 1gwp s ASN 121 Ca 0.39 -0.50 -0.11 0.00 -1.57 0.00 0.00 52.86 51.06 1gwp s ASN 121 Cb -0.01 -1.68 0.04 0.00 -0.02 0.00 0.00 41.25 39.58 1gwp s ASN 121 CO 0.23 -0.03 1.08 -2.16 -2.57 0.00 0.00 177.10 173.65 1gwp s PRO 122 N 1.42 2.48 -0.21 -0.60 0.04 -1.26 -5.08 135.00 131.79 1gwp s PRO 122 Ca 0.05 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 1gwp s PRO 122 Cb -0.14 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1gwp s PRO 122 CO -0.05 -1.38 1.30 -1.25 0.04 0.00 0.00 177.00 175.65 1gwp s PRO 123 N -5.10 4.11 -0.11 0.56 0.04 0.17 -4.92 135.00 129.75 1gwp s PRO 123 Ca 0.59 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 1gwp s PRO 123 Cb -0.14 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 1gwp s PRO 123 CO 0.55 -0.86 0.90 0.42 0.04 0.00 0.00 177.00 178.04 1gwp s ILE 124 N 3.86 4.86 -0.15 0.56 1.09 0.24 -4.92 121.20 126.74 1gwp s ILE 124 Ca 0.56 1.82 -0.05 0.00 -1.10 0.00 0.00 60.65 61.88 1gwp s ILE 124 Cb -0.20 -4.22 -0.19 0.00 -1.06 0.00 0.00 42.46 36.79 1gwp s ILE 124 CO 0.18 0.06 2.82 -0.81 -0.10 0.00 0.00 174.94 177.09 1gwp n PRO 125 N 4.80 1.67 -0.22 2.79 -0.04 -1.26 -3.56 135.00 139.17 1gwp n PRO 125 Ca 0.06 -0.88 0.19 0.00 -0.04 0.00 0.00 63.50 62.83 1gwp n PRO 125 Cb 0.49 -1.97 0.53 0.00 -0.04 0.00 0.00 33.50 32.51 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 2.37 0.69 0.00 0.52 3.04 -1.89 0.58 116.25 121.56 1gwp h VAL 126 Ca 0.21 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1gwp h VAL 126 Cb 1.03 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1gwp h VAL 126 CO 0.45 0.07 0.00 0.61 -1.01 0.00 0.00 177.57 177.69 1gwp n GLY 127 N -1.53 -1.43 0.49 3.17 0.00 -1.26 -1.46 105.19 103.16 1gwp n GLY 127 Ca 0.18 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.51 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 0.11 0.41 1.61 5.08 -1.78 0.34 114.58 120.35 1gwp h GLU 128 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1gwp h GLU 128 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1gwp h GLU 128 CO 0.00 0.07 -0.20 0.82 -1.00 0.00 0.00 179.01 178.71 1gwp h ILE 129 N 0.11 0.55 -0.83 3.13 2.04 0.13 -1.12 117.51 121.53 1gwp h ILE 129 Ca 0.56 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1gwp h ILE 129 Cb 1.99 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 1gwp h ILE 129 CO -0.09 0.07 0.51 0.22 0.00 0.00 0.00 178.15 178.86 1gwp h TYR 130 N -0.81 1.08 -0.35 1.37 3.20 0.41 0.12 116.97 121.99 1gwp h TYR 130 Ca -0.06 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.84 1gwp h TYR 130 Cb 0.54 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1gwp h TYR 130 CO 0.01 0.71 0.17 -0.22 -1.64 0.00 0.00 178.16 177.19 1gwp h LYS 131 N 1.14 0.35 -0.14 1.82 3.11 -0.38 0.12 116.57 122.58 1gwp h LYS 131 Ca 0.30 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 58.01 1gwp h LYS 131 Cb -0.06 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.08 1gwp h LYS 131 CO -0.06 0.23 -0.39 -0.09 -2.81 0.00 0.00 179.45 176.33 1gwp h ARG 132 N 0.36 0.30 0.05 1.90 2.43 -0.60 -1.43 114.38 117.38 1gwp h ARG 132 Ca 0.15 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1gwp h ARG 132 Cb 0.06 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1gwp h ARG 132 CO -0.10 0.65 -0.02 -1.49 -1.51 0.00 0.00 179.97 177.49 1gwp h TRP 133 N 0.25 -0.06 -0.78 2.20 4.06 0.22 0.49 115.95 122.34 1gwp h TRP 133 Ca 0.03 -0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.14 1gwp h TRP 133 Cb 0.80 0.02 -0.14 0.00 -1.00 0.00 0.00 29.16 28.84 1gwp h TRP 133 CO 0.02 -0.04 -0.13 0.82 -3.56 0.00 0.00 178.44 175.55 1gwp h ILE 134 N -0.07 0.25 -0.72 1.49 2.04 -0.85 1.59 117.51 121.23 1gwp h ILE 134 Ca -0.01 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1gwp h ILE 134 Cb 0.05 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 1gwp h ILE 134 CO 0.01 0.00 0.47 0.40 0.00 0.00 0.00 178.15 179.04 1gwp h ILE 135 N 0.03 1.00 -0.27 -0.67 5.03 -1.18 0.17 117.51 121.61 1gwp h ILE 135 Ca 0.39 -0.24 0.01 0.00 -0.12 0.00 0.00 64.86 64.90 1gwp h ILE 135 Cb 0.65 0.22 -0.02 0.00 -3.03 0.00 0.00 36.82 34.64 1gwp h ILE 135 CO -0.77 0.13 0.15 0.25 -0.68 0.00 0.00 178.15 177.23 1gwp h LEU 136 N 0.71 0.24 0.01 1.44 6.46 0.74 0.18 115.31 125.09 1gwp h LEU 136 Ca 0.32 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.08 1gwp h LEU 136 Cb 0.32 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1gwp h LEU 136 CO -0.11 0.18 -0.00 1.23 -0.62 0.00 0.00 178.44 179.12 1gwp h GLY 137 N 0.31 -0.01 0.21 3.75 0.00 0.11 -1.03 103.07 106.41 1gwp h GLY 137 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.55 1gwp h GLY 137 CO -0.05 -0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.01 1gwp h LEU 138 N -0.32 -0.00 -0.40 3.11 3.38 -0.55 0.45 115.31 120.99 1gwp h LEU 138 Ca -0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1gwp h LEU 138 Cb 0.31 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1gwp h LEU 138 CO 0.00 0.01 0.26 -1.13 0.09 0.00 0.00 178.44 177.67 1gwp h ASN 139 N 0.25 0.45 -0.68 -0.43 -1.24 -0.55 0.21 115.58 113.59 1gwp h ASN 139 Ca 0.31 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.33 1gwp h ASN 139 Cb 0.45 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.35 1gwp h ASN 139 CO -0.39 0.32 0.45 0.50 -1.29 0.00 0.00 177.43 177.02 1gwp h LYS 140 N 0.53 0.82 -0.05 6.67 3.64 0.39 0.17 116.57 128.74 1gwp h LYS 140 Ca 0.15 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1gwp h LYS 140 Cb -0.05 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1gwp h LYS 140 CO -0.04 0.54 -0.01 0.82 -2.27 0.00 0.00 179.45 178.49 1gwp h ILE 141 N 0.84 1.30 -0.66 2.00 2.04 0.97 -1.77 117.51 122.24 1gwp h ILE 141 Ca 0.27 -0.93 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1gwp h ILE 141 Cb 0.02 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1gwp h ILE 141 CO -0.07 0.25 0.44 0.58 0.00 0.00 0.00 178.15 179.35 1gwp h VAL 142 N -0.24 1.04 -0.09 1.67 2.07 0.11 0.11 116.25 120.92 1gwp h VAL 142 Ca 0.01 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1gwp h VAL 142 Cb 0.41 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1gwp h VAL 142 CO 0.01 0.13 0.04 0.03 0.02 0.00 0.00 177.57 177.80 1gwp h ARG 143 N 0.71 0.14 -0.33 1.57 3.08 -0.44 -1.21 114.38 117.90 1gwp h ARG 143 Ca 0.28 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1gwp h ARG 143 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1gwp h ARG 143 CO -0.08 0.23 0.13 1.98 -1.07 0.00 0.00 179.97 181.16 1gwp h MET 144 N 0.01 0.49 -0.14 0.04 4.05 -0.42 -3.06 114.93 115.90 1gwp h MET 144 Ca 0.03 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1gwp h MET 144 Cb 0.14 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1gwp h MET 144 CO -0.00 0.49 -0.17 1.88 0.23 0.00 0.00 176.91 179.33 1gwp h TYR 145 N 0.39 -0.45 -6.74 1.39 -1.99 -0.70 -3.46 116.97 105.40 1gwp h TYR 145 Ca 0.11 0.02 -0.49 0.00 2.00 0.00 0.00 58.73 60.37 1gwp h TYR 145 Cb 0.18 0.22 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 1gwp h TYR 145 CO -0.01 -0.25 -1.06 0.45 -0.00 0.00 0.00 178.16 177.30 1gwp n SER 146 N -5.32 -4.48 -4.49 3.88 2.88 -0.47 -4.91 113.62 100.71 1gwp n SER 146 Ca -0.03 -0.99 -0.29 0.00 -1.33 0.00 0.00 58.87 56.23 1gwp n SER 146 Cb 0.23 -1.52 0.16 0.00 -0.75 0.00 0.00 64.21 62.34 1gwp n SER 146 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1gwp s PRO 147 N -5.21 0.62 -0.36 -1.46 0.04 -1.26 -5.04 135.00 122.32 1gwp s PRO 147 Ca 0.07 0.09 0.05 0.00 0.04 0.00 0.00 61.00 61.24 1gwp s PRO 147 Cb -0.04 -1.80 0.30 0.00 0.04 0.00 0.00 34.50 33.01 1gwp s PRO 147 CO 0.87 -2.51 1.29 -2.37 0.04 0.00 0.00 177.00 174.32 1gwp n THR 148 N -3.95 0.00 -3.62 1.26 5.66 -1.26 -5.11 114.28 107.26 1gwp n THR 148 Ca 0.09 -0.91 0.02 0.00 -3.05 0.00 0.00 64.05 60.21 1gwp n THR 148 Cb 0.59 1.12 -0.00 0.00 -1.55 0.00 0.00 70.33 70.49 1gwp n THR 148 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1gwp s SER 149 N -0.51 -0.03 0.82 1.09 0.15 -1.26 -5.16 113.70 108.79 1gwp s SER 149 Ca 0.19 -0.09 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 1gwp s SER 149 Cb 0.27 0.11 0.08 0.00 -1.71 0.00 0.00 66.02 64.77 1gwp s SER 149 CO -0.14 -0.20 1.09 0.27 1.20 0.00 0.00 173.24 175.47 1gwp s ILE 150 N -2.26 3.08 0.00 6.45 -5.25 -1.26 -5.22 121.20 116.74 1gwp s ILE 150 Ca 0.15 0.35 0.00 0.00 -0.99 0.00 0.00 60.65 60.16 1gwp s ILE 150 Cb 0.06 -2.95 0.00 0.00 2.95 0.00 0.00 42.46 42.52 1gwp s ILE 150 CO -0.05 -0.46 0.00 -0.11 -1.79 0.00 0.00 174.94 172.54