#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 4.36 0.13 0.52 -1.09 -0.83 -1.19 121.20 123.09 1gwp s ILE 2 Ca 0.00 -0.58 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1gwp s ILE 2 Cb 0.00 -2.98 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1gwp s ILE 2 CO 0.00 0.33 -0.03 0.68 -1.23 0.00 0.00 174.94 174.69 1gwp s VAL 3 N -1.16 0.65 -0.22 2.92 -7.23 0.59 -4.91 120.40 111.04 1gwp s VAL 3 Ca 0.22 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1gwp s VAL 3 Cb -0.12 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1gwp s VAL 3 CO 0.13 -0.71 0.01 0.00 -0.31 0.00 0.00 175.10 174.22 1gwp s GLN 4 N -3.88 3.58 1.02 4.82 -2.07 -1.26 -1.48 119.66 120.40 1gwp s GLN 4 Ca 0.17 -0.53 -0.14 0.00 -1.82 0.00 0.00 55.36 53.04 1gwp s GLN 4 Cb 0.06 -3.13 0.15 0.00 -1.09 0.00 0.00 33.01 28.99 1gwp s GLN 4 CO -0.01 -0.08 0.23 0.09 -1.32 0.00 0.00 175.29 174.20 1gwp n ASN 5 N 4.53 -2.94 0.01 12.60 3.02 0.15 -4.91 115.26 127.73 1gwp n ASN 5 Ca -0.17 -0.35 -0.21 0.00 -0.03 0.00 0.00 54.58 53.82 1gwp n ASN 5 Cb 0.51 -0.78 -0.14 0.00 -0.61 0.00 0.00 39.78 38.77 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 -2.57 0.39 0.87 3.41 4.07 -1.99 -3.39 115.31 116.10 1gwp h LEU 6 Ca -0.28 -0.86 -0.04 0.00 0.08 0.00 0.00 57.88 56.78 1gwp h LEU 6 Cb 0.84 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 42.47 1gwp h LEU 6 CO 0.18 1.61 -0.42 1.56 -1.08 0.00 0.00 178.44 180.29 1gwp h GLN 7 N -0.30 -1.13 0.00 1.13 7.50 -2.06 -3.47 115.11 116.78 1gwp h GLN 7 Ca -0.29 0.08 0.00 0.00 0.50 0.00 0.00 58.65 58.93 1gwp h GLN 7 Cb 1.76 0.26 0.00 0.00 0.05 0.00 0.00 27.48 29.54 1gwp h GLN 7 CO 0.07 -0.75 0.00 0.41 -1.50 0.00 0.00 178.83 177.06 1gwp n GLY 8 N -1.20 -1.26 3.47 3.46 0.00 -1.26 -5.19 105.19 103.21 1gwp n GLY 8 Ca -0.15 0.57 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 1.09 -0.22 1.61 -0.21 -1.26 -4.98 119.66 115.69 1gwp s GLN 9 Ca 0.00 -0.22 -0.08 0.00 0.02 0.00 0.00 55.36 55.08 1gwp s GLN 9 Cb 0.00 0.51 -0.03 0.00 1.00 0.00 0.00 33.01 34.48 1gwp s GLN 9 CO 0.00 -0.44 0.07 -1.64 -2.12 0.00 0.00 175.29 171.16 1gwp s MET 10 N -2.85 3.79 0.04 2.91 -1.94 -1.26 0.34 119.30 120.33 1gwp s MET 10 Ca -0.01 -0.42 -0.07 0.00 -1.71 0.00 0.00 55.69 53.48 1gwp s MET 10 Cb -0.01 -3.30 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 1gwp s MET 10 CO -0.06 -0.01 0.13 0.14 -0.01 0.00 0.00 175.02 175.21 1gwp s VAL 11 N 1.15 0.12 0.60 -6.03 -7.23 -0.55 -4.95 120.40 103.51 1gwp s VAL 11 Ca 0.05 -1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 59.15 1gwp s VAL 11 Cb -0.14 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 35.93 1gwp s VAL 11 CO 0.03 -0.57 0.88 -1.38 -0.31 0.00 0.00 175.10 173.76 1gwp s HIS 12 N -2.58 3.11 -0.27 2.82 -3.43 -1.26 -0.30 115.29 113.37 1gwp s HIS 12 Ca -0.05 0.45 0.22 0.00 -0.80 0.00 0.00 55.06 54.88 1gwp s HIS 12 Cb -0.01 -2.80 0.50 0.00 -1.43 0.00 0.00 32.58 28.84 1gwp s HIS 12 CO -0.04 -0.92 1.08 0.94 -2.00 0.00 0.00 174.74 173.80 1gwp n GLN 13 N -2.57 1.63 -0.25 -0.38 7.27 -0.33 -4.78 117.38 117.97 1gwp n GLN 13 Ca 0.05 -3.46 0.03 0.00 0.07 0.00 0.00 57.00 53.69 1gwp n GLN 13 Cb 0.59 -1.54 -0.01 0.00 2.41 0.00 0.00 30.24 31.68 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 -0.50 -1.11 -1.70 1.69 0.00 -1.26 -4.46 120.51 113.17 1gwp n ALA 14 Ca 0.07 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 1gwp n ALA 14 Cb 0.80 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.33 0.00 -4.37 0.00 3.06 -1.26 -0.10 119.36 115.35 1gwp n ILE 15 Ca 0.00 -0.68 -0.22 0.00 -2.50 0.00 0.00 62.75 59.35 1gwp n ILE 15 Cb 0.11 -1.61 -0.13 0.00 0.54 0.00 0.00 39.64 38.55 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 -4.09 2.14 0.06 9.51 0.15 -1.26 -4.75 113.70 115.46 1gwp s SER 16 Ca 0.48 -0.57 -0.15 0.00 0.70 0.00 0.00 55.95 56.40 1gwp s SER 16 Cb -0.01 -0.13 -0.21 0.00 -1.71 0.00 0.00 66.02 63.96 1gwp s SER 16 CO 0.34 0.05 1.20 1.55 1.20 0.00 0.00 173.24 177.58 1gwp h PRO 17 N 4.54 0.64 -0.15 5.44 0.13 -1.99 -1.52 132.00 139.10 1gwp h PRO 17 Ca -0.42 -0.63 -0.06 0.00 -0.87 0.00 0.00 66.00 64.02 1gwp h PRO 17 Cb 1.18 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1gwp h PRO 17 CO 0.42 1.23 -0.19 0.00 -0.23 0.00 0.00 178.00 179.23 1gwp h ARG 18 N 0.29 0.25 0.03 0.86 3.08 -1.98 0.34 114.38 117.25 1gwp h ARG 18 Ca -0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1gwp h ARG 18 Cb 1.48 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1gwp h ARG 18 CO 0.16 0.44 -0.02 1.15 -1.07 0.00 0.00 179.97 180.64 1gwp h THR 19 N 0.23 1.40 -0.85 2.04 2.02 -1.98 -1.37 112.91 114.40 1gwp h THR 19 Ca 0.04 -1.57 -0.02 0.00 0.77 0.00 0.00 66.41 65.63 1gwp h THR 19 Cb 0.48 2.41 -0.04 0.00 -1.74 0.00 0.00 68.15 69.26 1gwp h THR 19 CO 0.03 0.39 0.45 -0.07 0.37 0.00 0.00 175.52 176.69 1gwp h LEU 20 N -0.76 1.08 0.66 2.58 3.38 -1.16 0.20 115.31 121.30 1gwp h LEU 20 Ca -0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1gwp h LEU 20 Cb 0.67 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1gwp h LEU 20 CO 0.01 0.88 -0.32 -1.13 0.09 0.00 0.00 178.44 177.97 1gwp h ASN 21 N 1.19 -0.76 -0.62 -0.43 -1.24 -0.38 0.32 115.58 113.67 1gwp h ASN 21 Ca 0.30 0.02 0.09 0.00 0.71 0.00 0.00 56.30 57.42 1gwp h ASN 21 Cb 0.06 0.20 -0.07 0.00 0.73 0.00 0.00 38.32 39.23 1gwp h ASN 21 CO -0.04 -0.52 0.25 0.00 -1.29 0.00 0.00 177.43 175.83 1gwp h ALA 22 N -0.58 0.81 0.35 1.57 0.00 -1.02 0.12 119.26 120.51 1gwp h ALA 22 Ca -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1gwp h ALA 22 Cb 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1gwp h ALA 22 CO 0.15 -0.16 -0.31 2.35 0.00 0.00 0.00 179.25 181.29 1gwp h TRP 23 N 0.45 -0.84 -0.97 0.00 2.91 -0.31 0.44 115.95 117.64 1gwp h TRP 23 Ca 0.31 0.00 0.32 0.00 1.13 0.00 0.00 58.89 60.65 1gwp h TRP 23 Cb 0.36 0.32 -0.16 0.00 -0.51 0.00 0.00 29.16 29.17 1gwp h TRP 23 CO -0.15 -0.42 0.41 0.28 -1.03 0.00 0.00 178.44 177.53 1gwp h VAL 24 N -0.64 0.19 -0.54 2.65 2.07 0.14 1.70 116.25 121.82 1gwp h VAL 24 Ca -0.05 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1gwp h VAL 24 Cb 0.54 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1gwp h VAL 24 CO -0.01 0.03 0.21 0.11 0.02 0.00 0.00 177.57 177.93 1gwp h LYS 25 N 0.18 0.82 0.12 1.57 1.57 0.28 0.37 116.57 121.49 1gwp h LYS 25 Ca 0.70 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1gwp h LYS 25 Cb 1.61 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.79 1gwp h LYS 25 CO -0.70 0.72 -0.06 0.28 -0.57 0.00 0.00 179.45 179.12 1gwp h VAL 26 N 0.74 0.93 -0.97 0.50 2.07 0.69 0.13 116.25 120.35 1gwp h VAL 26 Ca 0.18 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1gwp h VAL 26 Cb 0.22 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1gwp h VAL 26 CO -0.01 0.05 0.64 0.58 0.02 0.00 0.00 177.57 178.85 1gwp h VAL 27 N -0.26 1.18 -0.10 2.57 2.07 -0.03 1.03 116.25 122.70 1gwp h VAL 27 Ca -0.02 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1gwp h VAL 27 Cb 0.21 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1gwp h VAL 27 CO 0.03 0.23 -0.19 -0.08 0.02 0.00 0.00 177.57 177.57 1gwp h GLU 28 N 1.23 0.17 0.00 1.57 4.81 0.20 1.62 114.58 124.18 1gwp h GLU 28 Ca 0.38 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1gwp h GLU 28 Cb -0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1gwp h GLU 28 CO -0.11 0.37 -1.06 0.93 -0.73 0.00 0.00 179.01 178.40 1gwp h GLU 29 N 0.16 0.00 0.00 1.92 5.08 0.12 -3.44 114.58 118.42 1gwp h GLU 29 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1gwp h GLU 29 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1gwp h GLU 29 CO 0.03 0.34 0.00 1.63 -1.00 0.00 0.00 179.01 180.01 1gwp n LYS 30 N -2.99 0.00 -0.95 2.33 4.76 0.34 -5.07 118.16 116.58 1gwp n LYS 30 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1gwp n LYS 30 Cb 0.78 -0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.97 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gwp n ALA 31 N -1.27 -1.89 -2.92 7.82 0.00 0.55 -4.89 120.51 117.89 1gwp n ALA 31 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1gwp n ALA 31 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 0.11 -2.05 -3.97 0.00 3.01 -1.26 -5.05 117.46 108.25 1gwp n PHE 32 Ca 0.00 1.02 -0.10 0.00 1.01 0.00 0.00 57.45 59.38 1gwp n PHE 32 Cb 0.00 -2.46 -0.03 0.00 -0.01 0.00 0.00 39.48 36.98 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 -0.96 0.15 0.00 4.37 0.01 -1.26 -4.97 113.70 111.04 1gwp s SER 33 Ca -0.05 -1.06 0.24 0.00 1.31 0.00 0.00 55.95 56.38 1gwp s SER 33 Cb 0.00 0.67 1.42 0.00 0.21 0.00 0.00 66.02 68.33 1gwp s SER 33 CO 0.39 -1.30 1.79 -0.81 0.41 0.00 0.00 173.24 173.71 1gwp n PRO 34 N -0.46 0.75 0.00 12.44 -0.04 -1.26 -1.87 135.00 144.56 1gwp n PRO 34 Ca -0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1gwp n PRO 34 Cb 0.61 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1gwp n PRO 34 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1gwp n GLU 35 N -1.00 1.86 -0.04 0.54 -0.00 -1.26 -4.41 120.64 116.33 1gwp n GLU 35 Ca 0.18 -0.72 -0.03 0.00 -0.00 0.00 0.00 57.16 56.59 1gwp n GLU 35 Cb 0.08 -1.18 -0.08 0.00 -0.00 0.00 0.00 31.44 30.26 1gwp n GLU 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1gwp n VAL 36 N -0.17 0.60 -0.28 3.84 3.14 -0.83 -3.98 118.33 120.65 1gwp n VAL 36 Ca 0.05 -0.42 -0.05 0.00 -2.96 0.00 0.00 64.34 60.97 1gwp n VAL 36 Cb 0.28 -0.54 0.06 0.00 -1.06 0.00 0.00 33.84 32.58 1gwp n VAL 36 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1gwp h ILE 37 N 0.00 1.20 -0.04 1.55 2.04 -1.58 0.29 117.51 120.96 1gwp h ILE 37 Ca -0.24 -0.38 -0.23 0.00 1.00 0.00 0.00 64.86 65.02 1gwp h ILE 37 Cb 1.45 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1gwp h ILE 37 CO 0.01 0.20 -0.90 1.55 0.00 0.00 0.00 178.15 179.01 1gwp h PRO 38 N 1.03 0.55 -0.20 2.37 0.13 -1.79 -1.99 132.00 132.10 1gwp h PRO 38 Ca 0.28 -0.54 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 1gwp h PRO 38 Cb -0.10 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1gwp h PRO 38 CO -0.06 1.17 -0.18 0.52 -0.23 0.00 0.00 178.00 179.22 1gwp h MET 39 N 0.34 0.34 0.02 0.86 2.86 -1.59 -1.56 114.93 116.19 1gwp h MET 39 Ca -0.08 -0.10 -0.15 0.00 -2.06 0.00 0.00 59.70 57.31 1gwp h MET 39 Cb 1.53 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.17 1gwp h MET 39 CO 0.17 0.52 -0.61 0.35 1.06 0.00 0.00 176.91 178.39 1gwp h PHE 40 N 0.32 0.59 -1.00 -0.22 3.57 -0.42 -1.02 116.94 118.76 1gwp h PHE 40 Ca 0.06 -0.33 0.04 0.00 3.53 0.00 0.00 57.97 61.27 1gwp h PHE 40 Cb 0.50 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 1gwp h PHE 40 CO 0.01 1.16 0.65 0.66 -2.23 0.00 0.00 178.31 178.56 1gwp h SER 41 N -0.15 1.08 -0.08 0.41 4.64 -1.22 0.25 113.55 118.48 1gwp h SER 41 Ca -0.08 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 1gwp h SER 41 Cb 1.34 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1gwp h SER 41 CO 0.12 0.73 -0.22 0.00 -0.87 0.00 0.00 176.83 176.59 1gwp h ALA 42 N 1.42 0.14 -0.23 5.18 0.00 -1.33 -2.07 119.26 122.37 1gwp h ALA 42 Ca 0.40 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1gwp h ALA 42 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gwp h ALA 42 CO -0.13 0.11 0.18 -0.07 0.00 0.00 0.00 179.25 179.34 1gwp h LEU 43 N -0.18 0.00 -3.87 0.00 3.38 -0.61 0.07 115.31 114.11 1gwp h LEU 43 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.36 1gwp h LEU 43 Cb 0.84 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.21 1gwp h LEU 43 CO 0.05 0.00 -0.17 -0.24 0.09 0.00 0.00 178.44 178.17 1gwp n SER 44 N -4.31 5.99 0.04 -0.43 2.88 0.82 -4.71 113.62 113.90 1gwp n SER 44 Ca 0.03 -3.77 0.06 0.00 -1.33 0.00 0.00 58.87 53.86 1gwp n SER 44 Cb 0.33 -0.59 0.48 0.00 -0.75 0.00 0.00 64.21 63.68 1gwp n SER 44 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1gwp h GLU 45 N 2.13 0.41 -0.58 -1.46 4.81 -0.25 -3.33 114.58 116.31 1gwp h GLU 45 Ca 0.46 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 59.35 1gwp h GLU 45 Cb 1.24 -0.09 -0.22 0.00 0.63 0.00 0.00 28.75 30.31 1gwp h GLU 45 CO 1.08 0.27 -0.66 0.41 -0.73 0.00 0.00 179.01 179.38 1gwp n GLY 46 N -1.50 1.26 3.84 1.92 0.00 -1.26 -4.22 105.19 105.23 1gwp n GLY 46 Ca 0.03 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.29 3.65 0.74 4.61 0.00 -1.25 -1.97 121.76 127.26 1gwp s ALA 47 Ca 0.29 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1gwp s ALA 47 Cb 0.28 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1gwp s ALA 47 CO -0.11 0.22 0.15 0.25 0.00 0.00 0.00 175.76 176.27 1gwp n THR 48 N -1.23 0.00 0.07 0.00 -2.24 -1.26 -4.55 114.28 105.06 1gwp n THR 48 Ca -0.07 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 1gwp n THR 48 Cb 0.58 -1.66 -0.01 0.00 -2.10 0.00 0.00 70.33 67.14 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 0.36 -0.01 -0.78 0.13 -1.92 -1.55 132.00 128.23 1gwp h PRO 49 Ca -0.05 -0.35 -0.17 0.00 -0.87 0.00 0.00 66.00 64.57 1gwp h PRO 49 Cb 0.15 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.36 1gwp h PRO 49 CO 0.04 1.02 -0.76 1.96 -0.23 0.00 0.00 178.00 180.03 1gwp h GLN 50 N 0.22 0.08 0.35 0.86 7.50 -1.96 -0.62 115.11 121.54 1gwp h GLN 50 Ca -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 58.65 59.00 1gwp h GLN 50 Cb 1.46 0.02 0.00 0.00 0.05 0.00 0.00 27.48 29.02 1gwp h GLN 50 CO 0.14 0.80 -0.17 0.22 -1.50 0.00 0.00 178.83 178.33 1gwp h ASP 51 N 0.05 -0.40 -0.70 1.46 1.82 -1.92 -1.23 116.42 115.51 1gwp h ASP 51 Ca -0.02 -0.05 0.07 0.00 -0.39 0.00 0.00 57.03 56.65 1gwp h ASP 51 Cb 1.34 0.10 -0.06 0.00 0.68 0.00 0.00 39.33 41.39 1gwp h ASP 51 CO 0.11 0.06 0.38 -0.07 -1.61 0.00 0.00 179.24 178.10 1gwp h LEU 52 N -1.09 0.53 -0.52 2.28 3.38 -1.37 0.44 115.31 118.96 1gwp h LEU 52 Ca -0.05 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1gwp h LEU 52 Cb 0.42 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1gwp h LEU 52 CO 0.08 0.33 0.26 -1.13 0.09 0.00 0.00 178.44 178.07 1gwp h ASN 53 N 0.67 0.38 0.16 -0.43 -0.73 -1.17 0.21 115.58 114.68 1gwp h ASN 53 Ca 0.33 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.52 1gwp h ASN 53 Cb 0.27 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1gwp h ASN 53 CO -0.22 0.26 -0.08 0.74 -0.37 0.00 0.00 177.43 177.76 1gwp h THR 54 N 0.51 0.94 -0.98 -3.57 2.02 0.12 -0.15 112.91 111.80 1gwp h THR 54 Ca 0.23 -0.47 0.15 0.00 0.77 0.00 0.00 66.41 67.09 1gwp h THR 54 Cb 0.14 1.22 -0.09 0.00 -1.74 0.00 0.00 68.15 67.68 1gwp h THR 54 CO -0.16 0.11 0.61 -0.03 0.37 0.00 0.00 175.52 176.42 1gwp h MET 55 N -0.45 0.81 -0.36 6.66 4.05 0.18 0.57 114.93 126.39 1gwp h MET 55 Ca -0.02 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.20 1gwp h MET 55 Cb 0.35 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1gwp h MET 55 CO 0.04 0.53 -0.37 -0.07 0.23 0.00 0.00 176.91 177.27 1gwp h LEU 56 N 0.83 0.91 -1.25 3.39 4.07 -0.38 -2.53 115.31 120.35 1gwp h LEU 56 Ca 0.51 -0.40 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 1gwp h LEU 56 Cb 0.70 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1gwp h LEU 56 CO -0.28 1.17 -0.31 0.78 -1.08 0.00 0.00 178.44 178.72 1gwp h ASN 57 N 0.71 0.00 -0.55 -0.43 4.21 0.11 -2.81 115.58 116.82 1gwp h ASN 57 Ca 0.06 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.53 1gwp h ASN 57 Cb 0.94 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 1gwp h ASN 57 CO 0.09 0.31 0.16 0.74 -1.29 0.00 0.00 177.43 177.44 1gwp h THR 58 N 0.00 1.24 -1.73 2.81 2.02 0.44 -3.43 112.91 114.27 1gwp h THR 58 Ca -0.00 -0.82 -0.49 0.00 0.77 0.00 0.00 66.41 65.87 1gwp h THR 58 Cb 0.70 0.73 0.25 0.00 -1.74 0.00 0.00 68.15 68.09 1gwp h THR 58 CO 0.04 0.30 -1.96 0.55 0.37 0.00 0.00 175.52 174.83 1gwp n VAL 59 N -4.44 0.00 -0.29 3.16 3.14 -1.06 -4.69 118.33 114.15 1gwp n VAL 59 Ca 0.02 -0.18 0.08 0.00 -2.96 0.00 0.00 64.34 61.31 1gwp n VAL 59 Cb 0.21 -0.23 0.17 0.00 -1.06 0.00 0.00 33.84 32.93 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 2.90 -1.24 0.00 7.55 0.00 -1.26 -4.80 105.19 108.34 1gwp n GLY 60 Ca -0.01 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 -1.46 0.70 3.71 -0.02 0.00 -1.26 -5.09 105.19 101.77 1gwp n GLY 61 Ca 0.16 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.34 3.50 0.24 1.61 3.76 -1.26 -4.96 115.29 116.83 1gwp s HIS 62 Ca 0.00 0.97 -0.01 0.00 -0.15 0.00 0.00 55.06 55.86 1gwp s HIS 62 Cb 0.00 -2.65 0.26 0.00 1.11 0.00 0.00 32.58 31.30 1gwp s HIS 62 CO 0.00 0.08 1.63 0.37 -0.85 0.00 0.00 174.74 175.98 1gwp h GLN 63 N 6.90 0.59 0.05 1.40 4.15 -1.98 0.19 115.11 126.41 1gwp h GLN 63 Ca -0.39 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 58.76 1gwp h GLN 63 Cb 1.18 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1gwp h GLN 63 CO 0.76 0.84 -0.02 0.00 -1.93 0.00 0.00 178.83 178.47 1gwp h ALA 64 N 1.15 -0.07 0.35 3.38 0.00 -1.98 0.41 119.26 122.50 1gwp h ALA 64 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1gwp h ALA 64 Cb 0.80 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1gwp h ALA 64 CO 0.07 -0.35 -0.17 0.00 0.00 0.00 0.00 179.25 178.80 1gwp h ALA 65 N 0.48 -0.47 -0.74 0.00 0.00 -1.96 -1.20 119.26 115.38 1gwp h ALA 65 Ca -0.01 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1gwp h ALA 65 Cb 0.40 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1gwp h ALA 65 CO 0.01 -0.74 0.48 0.52 0.00 0.00 0.00 179.25 179.52 1gwp h MET 66 N -0.51 0.82 0.14 0.00 2.07 -0.64 -0.96 114.93 115.85 1gwp h MET 66 Ca -0.05 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.53 1gwp h MET 66 Cb 0.38 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 1gwp h MET 66 CO 0.08 0.54 -0.07 0.37 1.07 0.00 0.00 176.91 178.89 1gwp h GLN 67 N 0.84 -0.20 -0.92 1.72 4.15 0.26 0.19 115.11 121.15 1gwp h GLN 67 Ca 0.30 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1gwp h GLN 67 Cb 0.14 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1gwp h GLN 67 CO -0.09 -0.13 0.58 0.52 -1.93 0.00 0.00 178.83 177.78 1gwp h MET 68 N -0.20 1.23 -0.65 1.69 2.86 -0.66 -0.97 114.93 118.23 1gwp h MET 68 Ca -0.02 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1gwp h MET 68 Cb 0.16 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1gwp h MET 68 CO 0.03 0.84 0.27 1.25 1.06 0.00 0.00 176.91 180.35 1gwp h LEU 69 N 1.26 0.90 -0.12 1.22 6.46 -0.83 0.23 115.31 124.42 1gwp h LEU 69 Ca 0.33 -0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1gwp h LEU 69 Cb -0.10 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.59 1gwp h LEU 69 CO -0.07 0.82 0.05 0.11 -0.62 0.00 0.00 178.44 178.73 1gwp h LYS 70 N 0.92 0.11 -0.78 1.25 1.57 0.08 0.19 116.57 119.91 1gwp h LYS 70 Ca 0.22 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1gwp h LYS 70 Cb 0.20 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1gwp h LYS 70 CO -0.02 0.07 0.37 1.49 -0.57 0.00 0.00 179.45 180.80 1gwp h GLU 71 N 0.11 1.12 0.81 3.15 4.81 -0.87 -0.73 114.58 122.99 1gwp h GLU 71 Ca 0.05 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1gwp h GLU 71 Cb 0.02 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.20 1gwp h GLU 71 CO -0.04 0.87 -0.39 1.15 -0.73 0.00 0.00 179.01 179.87 1gwp h THR 72 N 1.10 0.00 -1.01 0.32 2.02 0.00 0.05 112.91 115.40 1gwp h THR 72 Ca 0.27 -0.01 0.22 0.00 0.77 0.00 0.00 66.41 67.67 1gwp h THR 72 Cb 0.12 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.42 1gwp h THR 72 CO -0.03 0.00 0.61 0.40 0.37 0.00 0.00 175.52 176.87 1gwp h ILE 73 N -1.10 0.61 -0.89 3.11 2.04 -0.59 0.80 117.51 121.48 1gwp h ILE 73 Ca -0.11 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1gwp h ILE 73 Cb 0.84 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1gwp h ILE 73 CO 0.18 0.12 0.53 -1.13 0.00 0.00 0.00 178.15 177.85 1gwp h ASN 74 N 0.64 1.07 0.64 1.72 -1.24 -0.77 -0.94 115.58 116.69 1gwp h ASN 74 Ca 0.61 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.53 1gwp h ASN 74 Cb 1.12 -0.27 0.01 0.00 0.73 0.00 0.00 38.32 39.91 1gwp h ASN 74 CO -0.42 0.83 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.91 1gwp h GLU 75 N 1.23 -0.83 -0.95 6.67 5.08 0.25 -1.22 114.58 124.82 1gwp h GLU 75 Ca 0.32 0.06 0.28 0.00 -1.00 0.00 0.00 59.36 59.01 1gwp h GLU 75 Cb -0.05 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 29.25 1gwp h GLU 75 CO -0.06 -0.55 0.41 0.93 -1.00 0.00 0.00 179.01 178.74 1gwp h GLU 76 N -1.12 0.27 0.03 2.33 4.39 -0.93 0.52 114.58 120.07 1gwp h GLU 76 Ca -0.09 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1gwp h GLU 76 Cb 0.66 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1gwp h GLU 76 CO 0.14 0.18 -0.01 0.00 -1.16 0.00 0.00 179.01 178.16 1gwp h ALA 77 N 1.82 -0.03 -0.34 3.43 0.00 -1.09 0.19 119.26 123.23 1gwp h ALA 77 Ca 0.65 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.56 1gwp h ALA 77 Cb 1.39 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1gwp h ALA 77 CO -0.63 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.15 1gwp h ALA 78 N 0.84 0.31 -0.32 0.00 0.00 0.11 0.81 119.26 121.01 1gwp h ALA 78 Ca -0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1gwp h ALA 78 Cb 0.12 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1gwp h ALA 78 CO 0.01 -0.40 0.16 0.93 0.00 0.00 0.00 179.25 179.95 1gwp h GLU 79 N 0.10 0.44 -0.55 0.00 5.08 -0.30 0.32 114.58 119.67 1gwp h GLU 79 Ca 0.17 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1gwp h GLU 79 Cb 0.22 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1gwp h GLU 79 CO -0.28 0.34 0.26 2.35 -1.00 0.00 0.00 179.01 180.68 1gwp h TRP 80 N 0.44 0.80 -0.31 4.33 2.91 0.16 0.30 115.95 124.59 1gwp h TRP 80 Ca 0.11 -0.04 -0.15 0.00 1.13 0.00 0.00 58.89 59.94 1gwp h TRP 80 Cb 0.04 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 28.44 1gwp h TRP 80 CO 0.00 0.62 -0.39 0.22 -1.03 0.00 0.00 178.44 177.86 1gwp h ASP 81 N 0.74 0.88 -0.59 2.65 1.82 0.10 0.76 116.42 122.78 1gwp h ASP 81 Ca 0.19 -0.49 0.03 0.00 -0.39 0.00 0.00 57.03 56.36 1gwp h ASP 81 Cb 0.13 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.85 1gwp h ASP 81 CO -0.02 1.20 0.36 0.03 -1.61 0.00 0.00 179.24 179.20 1gwp h ARG 82 N 0.59 0.69 0.00 0.28 2.47 0.03 -1.50 114.38 116.95 1gwp h ARG 82 Ca 0.04 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 1gwp h ARG 82 Cb 0.98 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1gwp h ARG 82 CO 0.09 0.46 -0.21 -0.07 0.56 0.00 0.00 179.97 180.81 1gwp h LEU 83 N 0.72 0.18 -7.57 3.04 3.38 -0.33 -3.40 115.31 111.33 1gwp h LEU 83 Ca 0.24 -0.80 -0.68 0.00 0.09 0.00 0.00 57.88 56.73 1gwp h LEU 83 Cb 0.02 -0.05 -0.37 0.00 0.09 0.00 0.00 40.66 40.35 1gwp h LEU 83 CO -0.10 0.95 -0.46 -1.00 0.09 0.00 0.00 178.44 177.92 1gwp s HIS 84 N -3.03 3.40 0.54 1.13 3.76 0.26 -5.08 115.29 116.27 1gwp s HIS 84 Ca -0.16 -2.79 -0.18 0.00 -0.15 0.00 0.00 55.06 51.78 1gwp s HIS 84 Cb 0.00 -3.11 -0.06 0.00 1.11 0.00 0.00 32.58 30.52 1gwp s HIS 84 CO 0.73 -0.84 1.04 -1.25 -0.85 0.00 0.00 174.74 173.57 1gwp s PRO 85 N 0.09 3.58 -0.02 8.40 0.04 -0.58 -4.05 135.00 142.45 1gwp s PRO 85 Ca 0.15 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1gwp s PRO 85 Cb -0.22 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1gwp s PRO 85 CO -0.03 -0.60 0.20 0.54 0.04 0.00 0.00 177.00 177.14 1gwp s VAL 86 N -2.26 0.06 -0.36 -0.36 0.11 -1.26 -4.88 120.40 111.44 1gwp s VAL 86 Ca 0.65 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 59.28 1gwp s VAL 86 Cb -0.16 -0.44 0.23 0.00 -1.53 0.00 0.00 36.38 34.48 1gwp s VAL 86 CO 0.29 -0.26 1.21 1.57 -3.33 0.00 0.00 175.10 174.58 1gwp n HIS 87 N 1.80 -1.25 -0.75 1.54 -0.00 -1.26 -5.02 115.22 110.27 1gwp n HIS 87 Ca -0.20 -1.21 -0.33 0.00 -0.00 0.00 0.00 57.72 55.98 1gwp n HIS 87 Cb 0.56 1.35 0.14 0.00 -0.00 0.00 0.00 29.99 32.04 1gwp n HIS 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1gwp n ALA 88 N -0.28 -3.61 -1.00 1.57 0.00 -1.26 -4.97 120.51 110.96 1gwp n ALA 88 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1gwp n ALA 88 Cb 0.73 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1gwp n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwp n GLY 89 N 1.92 -0.76 2.89 0.00 0.00 -1.26 -4.99 105.19 102.99 1gwp n GLY 89 Ca 0.03 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.51 2.19 -2.13 1.61 -0.04 -1.26 -4.92 135.00 129.94 1gwp n PRO 90 Ca 0.00 -2.18 -0.30 0.00 -0.04 0.00 0.00 63.50 60.98 1gwp n PRO 90 Cb 0.00 -3.06 0.01 0.00 -0.04 0.00 0.00 33.50 30.40 1gwp n PRO 90 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1gwp s ILE 91 N 4.06 4.78 0.63 0.52 2.07 -1.26 -5.04 121.20 126.95 1gwp s ILE 91 Ca 0.52 0.66 -0.16 0.00 -1.41 0.00 0.00 60.65 60.27 1gwp s ILE 91 Cb 0.14 -3.87 -0.01 0.00 0.13 0.00 0.00 42.46 38.85 1gwp s ILE 91 CO 0.01 -1.05 1.10 0.00 -1.91 0.00 0.00 174.94 173.09 1gwp s ALA 92 N -3.03 2.55 -1.07 1.50 0.00 -1.26 -4.90 121.76 115.54 1gwp s ALA 92 Ca 0.52 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 1gwp s ALA 92 Cb -0.11 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1gwp s ALA 92 CO 0.51 -1.12 1.75 -1.25 0.00 0.00 0.00 175.76 175.65 1gwp s PRO 93 N -4.02 3.14 0.00 0.00 0.04 -1.26 -1.89 135.00 131.01 1gwp s PRO 93 Ca 0.67 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1gwp s PRO 93 Cb -0.20 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1gwp s PRO 93 CO 0.39 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.92 1gwp n GLY 94 N 6.38 0.35 3.90 0.56 0.00 -1.26 -5.13 105.19 109.98 1gwp n GLY 94 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 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 3.40 0.03 1.61 -1.52 -0.79 -5.08 119.66 117.31 1gwp s GLN 95 Ca 0.00 0.35 0.02 0.00 -1.95 0.00 0.00 55.36 53.78 1gwp s GLN 95 Cb 0.00 -2.24 -0.04 0.00 -0.22 0.00 0.00 33.01 30.51 1gwp s GLN 95 CO 0.00 -0.47 0.04 0.00 -0.25 0.00 0.00 175.29 174.61 1gwp s MET 96 N -4.97 2.85 1.17 2.91 0.23 -1.26 -4.86 119.30 115.37 1gwp s MET 96 Ca 0.52 -0.63 -0.16 0.00 -1.03 0.00 0.00 55.69 54.38 1gwp s MET 96 Cb -0.11 -2.72 0.27 0.00 -1.53 0.00 0.00 34.83 30.75 1gwp s MET 96 CO 0.48 0.60 1.05 0.50 -2.03 0.00 0.00 175.02 175.63 1gwp s ARG 97 N -1.95 -0.95 -0.44 3.16 3.52 -1.26 -5.01 118.95 116.03 1gwp s ARG 97 Ca 0.24 0.38 0.09 0.00 -0.13 0.00 0.00 55.73 56.31 1gwp s ARG 97 Cb -0.12 -1.59 0.33 0.00 -1.56 0.00 0.00 34.95 32.01 1gwp s ARG 97 CO 0.16 -3.63 0.75 -0.85 -0.81 0.00 0.00 175.30 170.92 1gwp n GLU 98 N -4.78 1.52 -2.30 5.12 0.28 -1.26 -5.05 120.64 114.17 1gwp n GLU 98 Ca 0.07 -3.76 -0.37 0.00 -0.16 0.00 0.00 57.16 52.95 1gwp n GLU 98 Cb 0.58 -1.78 -0.04 0.00 1.43 0.00 0.00 31.44 31.63 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1gwp s PRO 99 N -2.47 3.00 0.42 3.44 0.04 -1.26 -4.82 135.00 133.36 1gwp s PRO 99 Ca 0.41 -0.31 0.35 0.00 0.04 0.00 0.00 61.00 61.50 1gwp s PRO 99 Cb 0.29 -4.79 1.36 0.00 0.04 0.00 0.00 34.50 31.40 1gwp s PRO 99 CO -0.09 -2.63 1.30 0.54 0.04 0.00 0.00 177.00 176.16 1gwp n ARG 100 N 9.06 -0.01 -4.18 4.56 5.12 -1.26 -3.92 116.66 126.02 1gwp n ARG 100 Ca 0.25 0.97 -0.12 0.00 -1.93 0.00 0.00 57.85 57.02 1gwp n ARG 100 Cb 0.50 -2.08 -0.10 0.00 -1.16 0.00 0.00 32.46 29.62 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 -3.86 0.81 0.00 -0.13 0.00 -1.26 -4.70 107.32 98.18 1gwp s GLY 101 Ca -0.05 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1gwp s GLY 101 CO 0.72 -1.42 0.00 -1.26 0.00 0.00 0.00 173.10 171.13 1gwp n SER 102 N 0.08 0.00 0.09 1.64 2.88 -1.26 -4.70 113.62 112.35 1gwp n SER 102 Ca -0.13 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.22 1gwp n SER 102 Cb 0.60 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.92 1gwp n SER 102 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1gwp h ASP 103 N 0.00 0.52 -0.32 -3.46 3.58 -1.88 -2.70 116.42 112.15 1gwp h ASP 103 Ca 0.00 -0.63 0.09 0.00 0.42 0.00 0.00 57.03 56.91 1gwp h ASP 103 Cb 0.00 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1gwp h ASP 103 CO 0.00 1.51 0.30 0.40 -2.88 0.00 0.00 179.24 178.57 1gwp h ILE 104 N 0.09 0.54 0.00 2.25 2.04 -1.84 0.62 117.51 121.22 1gwp h ILE 104 Ca -0.23 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1gwp h ILE 104 Cb 2.04 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1gwp h ILE 104 CO 0.20 0.00 -1.29 0.00 0.00 0.00 0.00 178.15 177.06 1gwp n ALA 105 N -2.43 2.24 -1.39 1.87 0.00 -1.22 -4.71 120.51 114.87 1gwp n ALA 105 Ca 0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.02 1gwp n ALA 105 Cb 0.46 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 1gwp n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwp n GLY 106 N 1.30 0.60 0.18 0.00 0.00 0.22 -4.92 105.19 102.56 1gwp n GLY 106 Ca -0.06 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 1.38 0.00 2.61 2.02 -1.73 -3.27 112.91 113.92 1gwp h THR 107 Ca -0.10 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 65.04 1gwp h THR 107 Cb 0.52 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1gwp h THR 107 CO 0.14 0.60 -1.73 0.41 0.37 0.00 0.00 175.52 175.32 1gwp n THR 108 N -3.87 0.04 -4.27 3.16 -1.04 -1.25 -4.99 114.28 102.06 1gwp n THR 108 Ca -0.03 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.05 61.38 1gwp n THR 108 Cb 0.65 0.12 -0.08 0.00 -1.82 0.00 0.00 70.33 69.20 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 -3.84 4.42 0.61 8.00 1.04 -1.23 -5.08 113.70 117.61 1gwp s SER 109 Ca -0.06 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.60 1gwp s SER 109 Cb 0.10 -0.69 0.08 0.00 0.10 0.00 0.00 66.02 65.60 1gwp s SER 109 CO 0.65 -0.14 0.85 0.42 0.98 0.00 0.00 173.24 175.99 1gwp s THR 110 N -2.42 2.39 0.10 2.02 -4.23 -1.26 -4.49 115.64 107.74 1gwp s THR 110 Ca 0.34 -0.73 -0.33 0.00 -1.18 0.00 0.00 61.69 59.79 1gwp s THR 110 Cb -0.03 -2.66 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 1gwp s THR 110 CO 0.20 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 176.12 1gwp h LEU 111 N -0.10 -1.17 -0.88 4.79 5.85 -1.99 -0.96 115.31 120.86 1gwp h LEU 111 Ca -0.37 0.11 0.22 0.00 0.84 0.00 0.00 57.88 58.67 1gwp h LEU 111 Cb 1.28 0.40 -0.16 0.00 0.37 0.00 0.00 40.66 42.56 1gwp h LEU 111 CO 0.45 -0.55 0.03 1.56 -0.34 0.00 0.00 178.44 179.59 1gwp h GLN 112 N -0.80 0.07 -0.74 1.25 4.20 -1.99 0.87 115.11 117.97 1gwp h GLN 112 Ca -0.02 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1gwp h GLN 112 Cb 0.74 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1gwp h GLN 112 CO -0.11 0.05 0.47 0.93 -0.67 0.00 0.00 178.83 179.49 1gwp h GLU 113 N 0.08 0.89 -0.64 1.46 3.07 -1.73 -0.94 114.58 116.77 1gwp h GLU 113 Ca 0.51 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.33 1gwp h GLU 113 Cb 0.97 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1gwp h GLU 113 CO -0.78 0.59 0.42 0.37 -1.40 0.00 0.00 179.01 178.20 1gwp h GLN 114 N 0.91 0.79 -0.39 2.33 4.15 0.20 -0.82 115.11 122.29 1gwp h GLN 114 Ca 0.29 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.54 1gwp h GLN 114 Cb 0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1gwp h GLN 114 CO -0.11 0.52 -0.26 0.82 -1.93 0.00 0.00 178.83 177.87 1gwp h ILE 115 N 0.82 1.27 0.23 2.39 1.08 0.14 -1.30 117.51 122.14 1gwp h ILE 115 Ca 0.24 -1.40 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1gwp h ILE 115 Cb -0.03 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1gwp h ILE 115 CO -0.06 0.47 -0.11 1.23 -0.69 0.00 0.00 178.15 178.99 1gwp h GLY 116 N 0.93 -0.32 0.84 5.37 0.00 0.06 1.48 103.07 111.43 1gwp h GLY 116 Ca 0.09 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.57 1gwp h GLY 116 CO 0.07 -0.12 0.32 1.49 0.00 0.00 0.00 176.54 178.30 1gwp h TRP 117 N -0.34 0.60 0.00 5.60 6.55 -1.24 0.85 115.95 127.97 1gwp h TRP 117 Ca -0.03 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.83 1gwp h TRP 117 Cb 0.26 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 1gwp h TRP 117 CO -0.05 0.33 0.00 -0.12 -1.05 0.00 0.00 178.44 177.55 1gwp n MET 118 N -4.79 0.04 -0.21 0.49 1.56 -0.50 -0.41 117.12 113.31 1gwp n MET 118 Ca 0.05 0.15 0.09 0.00 -0.27 0.00 0.00 57.70 57.71 1gwp n MET 118 Cb 0.09 -1.56 0.17 0.00 2.15 0.00 0.00 33.22 34.07 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 -1.63 2.01 -4.08 1.12 -1.04 0.50 -4.46 114.28 106.71 1gwp n THR 119 Ca 0.05 -2.33 -0.24 0.00 -2.04 0.00 0.00 64.05 59.49 1gwp n THR 119 Cb 0.27 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.47 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 2.57 -0.22 -1.42 4.02 0.27 -4.90 115.29 112.68 1gwp s HIS 120 Ca 0.35 -0.59 -0.03 0.00 1.02 0.00 0.00 55.06 55.80 1gwp s HIS 120 Cb 0.30 -1.98 0.00 0.00 -1.02 0.00 0.00 32.58 29.89 1gwp s HIS 120 CO 0.03 0.13 -0.07 1.21 1.02 0.00 0.00 174.74 177.06 1gwp s ASN 121 N -3.94 4.12 0.82 1.40 2.47 -1.26 0.13 114.94 118.68 1gwp s ASN 121 Ca 0.41 -0.49 -0.12 0.00 0.42 0.00 0.00 52.86 53.08 1gwp s ASN 121 Cb 0.03 -1.69 0.08 0.00 -1.45 0.00 0.00 41.25 38.22 1gwp s ASN 121 CO 0.23 -0.03 1.10 -2.16 -3.72 0.00 0.00 177.10 172.52 1gwp s PRO 122 N 1.43 1.92 -0.24 0.43 0.04 -1.26 -5.08 135.00 132.24 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 32.48 1gwp s PRO 122 CO -0.05 -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 -0.24 0.56 0.04 0.12 -4.91 135.00 129.41 1gwp s PRO 123 Ca 0.61 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1gwp s PRO 123 Cb -0.14 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1gwp s PRO 123 CO 0.54 -0.98 1.17 0.42 0.04 0.00 0.00 177.00 178.19 1gwp s ILE 124 N 4.12 4.41 0.00 0.56 1.09 0.46 -4.89 121.20 126.94 1gwp s ILE 124 Ca 0.57 1.67 -0.03 0.00 -1.10 0.00 0.00 60.65 61.76 1gwp s ILE 124 Cb -0.19 -4.20 -0.15 0.00 -1.06 0.00 0.00 42.46 36.86 1gwp s ILE 124 CO 0.21 -0.28 2.50 -0.81 -0.10 0.00 0.00 174.94 176.45 1gwp n PRO 125 N 6.72 1.30 -0.15 2.79 -0.04 -1.26 -3.67 135.00 140.70 1gwp n PRO 125 Ca 0.13 -0.55 0.22 0.00 -0.04 0.00 0.00 63.50 63.25 1gwp n PRO 125 Cb 0.46 -1.68 0.62 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.99 0.67 0.00 0.52 3.04 -1.91 0.36 116.25 120.92 1gwp h VAL 126 Ca 0.11 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 1gwp h VAL 126 Cb 1.04 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1gwp h VAL 126 CO 0.22 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.42 1gwp n GLY 127 N -1.61 -1.19 0.50 3.17 0.00 -1.26 -1.40 105.19 103.39 1gwp n GLY 127 Ca 0.16 0.00 0.33 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 0.13 0.47 1.61 5.08 -1.68 0.24 114.58 120.42 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 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1gwp h GLU 128 CO 0.00 0.08 -0.23 0.82 -1.00 0.00 0.00 179.01 178.69 1gwp h ILE 129 N 0.13 0.00 -1.00 3.13 2.04 -0.34 -0.49 117.51 120.98 1gwp h ILE 129 Ca 0.64 -0.18 0.19 0.00 1.00 0.00 0.00 64.86 66.51 1gwp h ILE 129 Cb 2.21 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 1gwp h ILE 129 CO -0.15 0.00 0.61 0.22 0.00 0.00 0.00 178.15 178.83 1gwp h TYR 130 N -0.81 1.02 -0.79 1.37 3.20 0.16 0.31 116.97 121.43 1gwp h TYR 130 Ca -0.06 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1gwp h TYR 130 Cb 0.48 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 1gwp h TYR 130 CO 0.06 0.23 0.39 -0.22 -1.64 0.00 0.00 178.16 176.98 1gwp h LYS 131 N 0.73 1.13 -0.67 1.82 3.11 -0.57 0.35 116.57 122.46 1gwp h LYS 131 Ca 0.57 -0.16 -0.07 0.00 -2.81 0.00 0.00 60.65 58.18 1gwp h LYS 131 Cb 0.92 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.92 1gwp h LYS 131 CO -0.35 0.87 0.15 -0.09 -2.81 0.00 0.00 179.45 177.21 1gwp h ARG 132 N 1.11 1.09 0.69 1.90 2.43 0.13 -0.18 114.38 121.53 1gwp h ARG 132 Ca 0.27 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1gwp h ARG 132 Cb 0.10 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1gwp h ARG 132 CO -0.04 0.98 -0.33 -1.49 -1.51 0.00 0.00 179.97 177.58 1gwp h TRP 133 N 1.01 -0.86 -0.77 2.20 6.55 -0.46 0.24 115.95 123.87 1gwp h TRP 133 Ca 0.21 -0.02 0.14 0.00 0.95 0.00 0.00 58.89 60.17 1gwp h TRP 133 Cb 0.39 0.28 -0.14 0.00 -0.86 0.00 0.00 29.16 28.83 1gwp h TRP 133 CO 0.03 -0.53 -0.30 0.82 -1.05 0.00 0.00 178.44 177.41 1gwp h ILE 134 N -1.24 0.13 -0.08 1.49 2.04 -0.30 1.90 117.51 121.46 1gwp h ILE 134 Ca -0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1gwp h ILE 134 Cb 0.71 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1gwp h ILE 134 CO 0.16 0.00 -0.08 -0.29 0.00 0.00 0.00 178.15 177.93 1gwp h ILE 135 N -0.07 1.11 -0.18 -0.67 6.09 -0.99 -1.60 117.51 121.20 1gwp h ILE 135 Ca 0.32 -0.48 0.03 0.00 -1.37 0.00 0.00 64.86 63.36 1gwp h ILE 135 Cb 0.58 1.15 -0.03 0.00 0.47 0.00 0.00 36.82 38.99 1gwp h ILE 135 CO -0.81 0.15 -0.00 0.25 -3.07 0.00 0.00 178.15 174.66 1gwp h LEU 136 N 0.11 -0.07 -0.12 2.19 6.46 0.64 0.24 115.31 124.76 1gwp h LEU 136 Ca 0.02 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1gwp h LEU 136 Cb 0.22 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1gwp h LEU 136 CO 0.01 -0.01 0.01 1.23 -0.62 0.00 0.00 178.44 179.06 1gwp h GLY 137 N 0.06 0.22 0.39 3.75 0.00 -0.49 -1.56 103.07 105.44 1gwp h GLY 137 Ca 0.09 -0.15 0.15 0.00 0.00 0.00 0.00 47.33 47.41 1gwp h GLY 137 CO -0.15 0.14 0.61 1.41 0.00 0.00 0.00 176.54 178.56 1gwp h LEU 138 N -0.04 0.82 -0.15 3.11 3.38 -1.01 0.64 115.31 122.06 1gwp h LEU 138 Ca 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1gwp h LEU 138 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1gwp h LEU 138 CO 0.00 0.39 0.03 -1.13 0.09 0.00 0.00 178.44 177.83 1gwp h ASN 139 N 0.86 0.24 -0.24 -0.43 -0.73 -0.26 0.25 115.58 115.26 1gwp h ASN 139 Ca 0.51 -0.24 -0.02 0.00 1.87 0.00 0.00 56.30 58.41 1gwp h ASN 139 Cb 0.66 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 1gwp h ASN 139 CO -0.28 0.42 0.09 0.50 -0.37 0.00 0.00 177.43 177.79 1gwp h LYS 140 N 0.05 0.45 -0.05 6.67 3.64 0.01 0.37 116.57 127.71 1gwp h LYS 140 Ca 0.05 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1gwp h LYS 140 Cb 0.28 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1gwp h LYS 140 CO 0.00 0.41 -0.03 0.82 -2.27 0.00 0.00 179.45 178.38 1gwp h ILE 141 N 0.45 1.35 0.00 2.00 2.04 0.66 -2.56 117.51 121.44 1gwp h ILE 141 Ca 0.11 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1gwp h ILE 141 Cb 0.16 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1gwp h ILE 141 CO -0.01 0.30 -0.21 0.58 0.00 0.00 0.00 178.15 178.82 1gwp h VAL 142 N -0.30 1.11 -0.60 1.67 2.07 -0.01 -1.03 116.25 119.17 1gwp h VAL 142 Ca 0.01 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1gwp h VAL 142 Cb 0.50 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1gwp h VAL 142 CO 0.01 0.20 0.21 -0.09 0.02 0.00 0.00 177.57 177.92 1gwp h ARG 143 N 0.00 0.88 0.14 1.57 1.12 -0.05 -1.65 114.38 116.39 1gwp h ARG 143 Ca -0.00 -0.15 -0.30 0.00 -1.11 0.00 0.00 59.98 58.41 1gwp h ARG 143 Cb 0.38 -0.15 0.03 0.00 -0.01 0.00 0.00 29.97 30.22 1gwp h ARG 143 CO 0.03 0.74 -1.28 1.98 -3.11 0.00 0.00 179.97 178.33 1gwp h MET 144 N 0.86 0.59 0.20 0.20 4.05 -0.93 -3.33 114.93 116.58 1gwp h MET 144 Ca 0.20 -0.83 0.01 0.00 -0.28 0.00 0.00 59.70 58.80 1gwp h MET 144 Cb 0.21 0.28 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 1gwp h MET 144 CO -0.01 1.38 -0.29 1.88 0.23 0.00 0.00 176.91 180.10 1gwp h TYR 145 N 0.25 -0.78 -6.40 1.39 -1.99 -0.95 -3.47 116.97 105.02 1gwp h TYR 145 Ca -0.20 0.01 -0.39 0.00 2.00 0.00 0.00 58.73 60.16 1gwp h TYR 145 Cb 1.96 0.32 0.02 0.00 2.00 0.00 0.00 36.73 41.02 1gwp h TYR 145 CO 0.11 -0.40 -1.17 -1.13 -0.00 0.00 0.00 178.16 175.57 1gwp n SER 146 N -5.40 -5.16 -4.63 3.88 3.41 -0.64 -4.78 113.62 100.29 1gwp n SER 146 Ca -0.08 -0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 57.88 1gwp n SER 146 Cb 0.31 -1.52 -0.02 0.00 -0.26 0.00 0.00 64.21 62.72 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 -2.54 3.88 -1.03 4.33 0.04 -1.26 -4.92 135.00 133.50 1gwp s PRO 147 Ca 0.34 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1gwp s PRO 147 Cb -0.04 -3.91 0.26 0.00 0.04 0.00 0.00 34.50 30.86 1gwp s PRO 147 CO 0.84 -1.17 2.07 2.41 0.04 0.00 0.00 177.00 181.19 1gwp n THR 148 N 6.28 5.32 -4.03 1.26 -1.04 -1.26 -4.92 114.28 115.89 1gwp n THR 148 Ca 0.15 -5.10 -0.10 0.00 -2.04 0.00 0.00 64.05 56.95 1gwp n THR 148 Cb 0.46 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 1gwp n THR 148 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1gwp s SER 149 N -0.76 0.14 0.15 8.00 0.15 -1.26 -5.16 113.70 114.95 1gwp s SER 149 Ca 0.46 -1.09 -0.07 0.00 0.70 0.00 0.00 55.95 55.95 1gwp s SER 149 Cb 0.24 0.59 -0.06 0.00 -1.71 0.00 0.00 66.02 65.09 1gwp s SER 149 CO -0.17 -1.17 0.41 -0.51 1.20 0.00 0.00 173.24 173.00 1gwp s ILE 150 N -3.76 5.11 0.00 6.45 2.07 -1.26 -5.26 121.20 124.55 1gwp s ILE 150 Ca 0.25 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 1gwp s ILE 150 Cb -0.00 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 38.96 1gwp s ILE 150 CO 0.12 0.07 0.00 -0.11 -1.91 0.00 0.00 174.94 173.10