#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 4.96 0.13 0.52 1.01 -1.26 -1.33 121.20 125.23 1gwp s ILE 2 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1gwp s ILE 2 Cb 0.00 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.79 1gwp s ILE 2 CO 0.00 -0.29 0.34 0.68 0.00 0.00 0.00 174.94 175.68 1gwp s VAL 3 N -2.06 0.08 -0.26 2.92 -7.23 0.55 -4.88 120.40 109.53 1gwp s VAL 3 Ca 0.46 -0.93 -0.07 0.00 -1.81 0.00 0.00 61.98 59.64 1gwp s VAL 3 Cb -0.11 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 1gwp s VAL 3 CO 0.28 -0.37 0.06 -1.58 -0.31 0.00 0.00 175.10 173.18 1gwp s GLN 4 N -3.86 3.50 1.02 4.82 0.74 -1.26 -1.50 119.66 123.13 1gwp s GLN 4 Ca 0.07 -0.57 -0.14 0.00 0.05 0.00 0.00 55.36 54.77 1gwp s GLN 4 Cb 0.02 -3.30 0.18 0.00 1.10 0.00 0.00 33.01 31.02 1gwp s GLN 4 CO -0.08 -0.24 0.36 0.09 -0.55 0.00 0.00 175.29 174.86 1gwp n ASN 5 N 4.90 -3.06 -0.06 6.67 3.02 0.15 -4.90 115.26 121.98 1gwp n ASN 5 Ca -0.16 -0.41 -0.04 0.00 -0.03 0.00 0.00 54.58 53.94 1gwp n ASN 5 Cb 0.51 -0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 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 -2.74 0.00 -0.15 3.41 4.07 -1.99 -3.39 115.31 114.52 1gwp h LEU 6 Ca -0.24 -0.22 0.02 0.00 0.08 0.00 0.00 57.88 57.52 1gwp h LEU 6 Cb 0.78 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.47 1gwp h LEU 6 CO 0.15 0.65 -0.35 1.56 -1.08 0.00 0.00 178.44 179.38 1gwp h GLN 7 N -1.00 -0.31 0.00 1.13 7.50 -2.06 -3.45 115.11 116.92 1gwp h GLN 7 Ca -0.01 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1gwp h GLN 7 Cb 0.28 0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.88 1gwp h GLN 7 CO -0.01 -0.21 0.00 0.41 -1.50 0.00 0.00 178.83 177.53 1gwp n GLY 8 N -1.26 -1.58 3.09 3.46 0.00 -1.26 -5.18 105.19 102.46 1gwp n GLY 8 Ca -0.03 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 0.60 -0.27 1.61 -0.21 -1.26 -4.98 119.66 115.15 1gwp s GLN 9 Ca 0.00 -1.06 -0.07 0.00 0.02 0.00 0.00 55.36 54.25 1gwp s GLN 9 Cb 0.00 -0.01 -0.00 0.00 1.00 0.00 0.00 33.01 33.99 1gwp s GLN 9 CO 0.00 -0.04 0.07 1.41 -2.12 0.00 0.00 175.29 174.60 1gwp s MET 10 N -3.03 3.30 0.05 2.91 1.75 -1.26 0.31 119.30 123.33 1gwp s MET 10 Ca 0.01 -0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 53.59 1gwp s MET 10 Cb 0.01 -3.33 0.03 0.00 2.84 0.00 0.00 34.83 34.37 1gwp s MET 10 CO -0.05 -0.34 0.35 0.14 -0.65 0.00 0.00 175.02 174.47 1gwp s VAL 11 N 1.54 0.07 0.18 10.11 -7.23 -0.56 -4.98 120.40 119.53 1gwp s VAL 11 Ca 0.04 -0.60 0.05 0.00 -1.81 0.00 0.00 61.98 59.66 1gwp s VAL 11 Cb -0.16 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1gwp s VAL 11 CO 0.02 -0.33 0.21 -1.38 -0.31 0.00 0.00 175.10 173.31 1gwp s HIS 12 N -2.57 3.26 -0.45 2.82 -3.43 -1.26 -0.33 115.29 113.33 1gwp s HIS 12 Ca -0.05 0.01 0.04 0.00 -0.80 0.00 0.00 55.06 54.26 1gwp s HIS 12 Cb -0.01 -1.54 0.45 0.00 -1.43 0.00 0.00 32.58 30.05 1gwp s HIS 12 CO -0.03 0.51 1.46 1.04 -2.00 0.00 0.00 174.74 175.72 1gwp n GLN 13 N -0.61 3.29 -0.19 -0.38 6.02 -0.44 -4.89 117.38 120.17 1gwp n GLN 13 Ca -0.08 -3.93 0.03 0.00 -0.01 0.00 0.00 57.00 53.01 1gwp n GLN 13 Cb 0.55 -2.28 -0.01 0.00 1.02 0.00 0.00 30.24 29.53 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gwp n ALA 14 N -0.73 -0.96 -1.28 -1.58 0.00 -1.26 -4.60 120.51 110.10 1gwp n ALA 14 Ca 0.49 0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.92 1gwp n ALA 14 Cb 0.80 -0.29 0.07 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.11 0.00 -4.39 0.00 3.06 -1.26 -1.31 119.36 114.35 1gwp n ILE 15 Ca 0.00 -0.31 -0.23 0.00 -2.50 0.00 0.00 62.75 59.72 1gwp n ILE 15 Cb 0.09 -1.77 -0.13 0.00 0.54 0.00 0.00 39.64 38.36 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 -2.58 2.18 0.07 9.51 0.15 -1.26 -4.84 113.70 116.94 1gwp s SER 16 Ca 0.24 -0.57 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 1gwp s SER 16 Cb -0.01 -0.14 -0.21 0.00 -1.71 0.00 0.00 66.02 63.96 1gwp s SER 16 CO 0.17 0.06 1.21 1.55 1.20 0.00 0.00 173.24 177.44 1gwp h PRO 17 N 4.55 0.69 -0.09 5.44 0.13 -1.98 -1.69 132.00 139.03 1gwp h PRO 17 Ca -0.42 -0.67 -0.06 0.00 -0.87 0.00 0.00 66.00 63.97 1gwp h PRO 17 Cb 1.18 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1gwp h PRO 17 CO 0.42 1.27 -0.22 0.00 -0.23 0.00 0.00 178.00 179.23 1gwp h ARG 18 N 0.36 0.16 -0.01 0.86 3.08 -1.98 0.26 114.38 117.12 1gwp h ARG 18 Ca -0.10 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1gwp h ARG 18 Cb 1.54 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1gwp h ARG 18 CO 0.18 0.38 -0.10 1.15 -1.07 0.00 0.00 179.97 180.51 1gwp h THR 19 N 0.15 1.56 -0.79 2.04 2.02 -1.97 -1.46 112.91 114.45 1gwp h THR 19 Ca 0.03 -1.78 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 1gwp h THR 19 Cb 0.49 2.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.58 1gwp h THR 19 CO 0.03 0.47 0.35 -0.07 0.37 0.00 0.00 175.52 176.68 1gwp h LEU 20 N -0.61 1.06 0.88 2.58 3.38 -1.15 0.28 115.31 121.72 1gwp h LEU 20 Ca -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1gwp h LEU 20 Cb 0.83 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1gwp h LEU 20 CO 0.02 0.92 -0.42 -1.13 0.09 0.00 0.00 178.44 177.92 1gwp h ASN 21 N 1.14 -1.00 -0.68 -0.43 -0.73 -0.53 0.20 115.58 113.55 1gwp h ASN 21 Ca 0.27 0.03 0.12 0.00 1.87 0.00 0.00 56.30 58.59 1gwp h ASN 21 Cb 0.16 0.26 -0.09 0.00 0.27 0.00 0.00 38.32 38.92 1gwp h ASN 21 CO -0.03 -0.69 0.23 0.00 -0.37 0.00 0.00 177.43 176.58 1gwp h ALA 22 N -1.41 0.89 0.27 1.57 0.00 -1.16 -0.42 119.26 118.99 1gwp h ALA 22 Ca -0.12 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gwp h ALA 22 Cb 0.90 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1gwp h ALA 22 CO 0.20 -0.23 -0.41 2.35 0.00 0.00 0.00 179.25 181.16 1gwp h TRP 23 N 0.39 -1.17 -0.97 0.00 2.91 -0.25 0.45 115.95 117.31 1gwp h TRP 23 Ca 0.36 0.02 0.32 0.00 1.13 0.00 0.00 58.89 60.72 1gwp h TRP 23 Cb 0.52 0.47 -0.16 0.00 -0.51 0.00 0.00 29.16 29.48 1gwp h TRP 23 CO -0.19 -0.51 0.41 0.28 -1.03 0.00 0.00 178.44 177.40 1gwp h VAL 24 N -0.71 0.19 -0.52 2.65 2.07 0.31 1.75 116.25 121.99 1gwp h VAL 24 Ca -0.03 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1gwp h VAL 24 Cb 0.66 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1gwp h VAL 24 CO -0.13 0.03 0.12 0.11 0.02 0.00 0.00 177.57 177.72 1gwp h LYS 25 N 0.17 0.83 0.67 1.57 1.57 0.56 0.13 116.57 122.08 1gwp h LYS 25 Ca 0.70 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 59.25 1gwp h LYS 25 Cb 1.63 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.84 1gwp h LYS 25 CO -0.70 0.80 -0.32 0.28 -0.57 0.00 0.00 179.45 178.94 1gwp h VAL 26 N 0.73 0.00 -0.96 0.50 2.07 0.69 -0.80 116.25 118.48 1gwp h VAL 26 Ca 0.16 -0.10 0.23 0.00 0.82 0.00 0.00 66.70 67.82 1gwp h VAL 26 Cb 0.34 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.99 1gwp h VAL 26 CO 0.00 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.69 1gwp h VAL 27 N -1.00 0.52 -0.40 2.57 2.07 -0.18 1.86 116.25 121.68 1gwp h VAL 27 Ca -0.09 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.29 1gwp h VAL 27 Cb 0.69 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1gwp h VAL 27 CO 0.15 0.09 0.18 -0.33 0.02 0.00 0.00 177.57 177.69 1gwp h GLU 28 N 0.52 0.36 -0.08 1.57 5.08 -0.50 1.56 114.58 123.09 1gwp h GLU 28 Ca 0.61 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.94 1gwp h GLU 28 Cb 1.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1gwp h GLU 28 CO -0.49 0.24 0.00 -1.91 -1.00 0.00 0.00 179.01 175.85 1gwp n GLU 29 N -4.96 1.69 0.00 2.33 0.00 0.12 -4.61 120.64 115.21 1gwp n GLU 29 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 57.16 56.16 1gwp n GLU 29 Cb 0.12 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.11 1gwp n GLU 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1gwp n LYS 30 N 0.23 0.00 -1.20 5.31 4.76 0.59 -5.04 118.16 122.81 1gwp n LYS 30 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1gwp n LYS 30 Cb 0.34 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 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 -2.14 -1.21 -2.76 7.82 0.00 0.52 -4.81 120.51 117.93 1gwp n ALA 31 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1gwp n ALA 31 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.80 -3.05 -3.93 0.00 3.01 -1.26 -5.06 117.46 106.37 1gwp n PHE 32 Ca 0.00 1.78 -0.09 0.00 1.01 0.00 0.00 57.45 60.15 1gwp n PHE 32 Cb 0.40 -2.98 -0.03 0.00 -0.01 0.00 0.00 39.48 36.86 1gwp n PHE 32 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1gwp s SER 33 N -0.45 -0.01 0.00 4.37 1.04 -1.26 -4.91 113.70 112.48 1gwp s SER 33 Ca -0.20 -0.93 0.24 0.00 0.48 0.00 0.00 55.95 55.54 1gwp s SER 33 Cb 0.01 0.69 1.37 0.00 0.10 0.00 0.00 66.02 68.19 1gwp s SER 33 CO 0.53 -1.33 1.78 -0.81 0.98 0.00 0.00 173.24 174.39 1gwp n PRO 34 N -0.46 0.65 0.00 4.02 -0.04 -1.26 -1.75 135.00 136.16 1gwp n PRO 34 Ca -0.03 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1gwp n PRO 34 Cb 0.61 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.07 1.61 -0.02 0.54 2.13 -1.26 -4.32 120.64 118.26 1gwp n GLU 35 Ca 0.16 -0.21 0.04 0.00 0.66 0.00 0.00 57.16 57.81 1gwp n GLU 35 Cb 0.11 -1.28 -0.10 0.00 0.27 0.00 0.00 31.44 30.44 1gwp n GLU 35 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1gwp n VAL 36 N -1.07 0.18 -0.25 6.31 3.14 -0.86 -4.04 118.33 121.75 1gwp n VAL 36 Ca 0.04 -0.34 -0.06 0.00 -2.96 0.00 0.00 64.34 61.02 1gwp n VAL 36 Cb 0.28 0.01 0.05 0.00 -1.06 0.00 0.00 33.84 33.12 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 1.22 -0.03 1.55 2.04 -1.53 0.37 117.51 121.12 1gwp h ILE 37 Ca -0.07 -0.55 -0.21 0.00 1.00 0.00 0.00 64.86 65.03 1gwp h ILE 37 Cb 0.85 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1gwp h ILE 37 CO 0.00 0.24 -0.86 1.55 0.00 0.00 0.00 178.15 179.08 1gwp h PRO 38 N 0.96 0.43 -0.23 2.37 0.13 -1.78 -1.75 132.00 132.12 1gwp h PRO 38 Ca 0.24 -0.42 -0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1gwp h PRO 38 Cb 0.04 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 1gwp h PRO 38 CO -0.04 1.07 -0.32 0.52 -0.23 0.00 0.00 178.00 179.00 1gwp h MET 39 N 0.27 0.48 -0.02 0.86 2.86 -1.61 -0.81 114.93 116.96 1gwp h MET 39 Ca -0.06 -0.21 -0.14 0.00 -2.06 0.00 0.00 59.70 57.23 1gwp h MET 39 Cb 1.48 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 33.13 1gwp h MET 39 CO 0.15 0.75 -0.53 0.35 1.06 0.00 0.00 176.91 178.68 1gwp h PHE 40 N 0.41 0.58 -0.68 -0.22 3.57 -0.27 0.22 116.94 120.56 1gwp h PHE 40 Ca 0.05 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 61.22 1gwp h PHE 40 Cb 0.77 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1gwp h PHE 40 CO 0.03 1.10 0.29 0.66 -2.23 0.00 0.00 178.31 178.16 1gwp h SER 41 N -0.11 0.89 0.06 0.41 4.64 -1.27 0.53 113.55 118.70 1gwp h SER 41 Ca -0.06 -0.11 -0.23 0.00 -0.47 0.00 0.00 61.79 60.92 1gwp h SER 41 Cb 1.23 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1gwp h SER 41 CO 0.11 0.78 -0.86 0.00 -0.87 0.00 0.00 176.83 175.98 1gwp h ALA 42 N 1.35 0.33 -0.52 5.18 0.00 -1.17 0.24 119.26 124.67 1gwp h ALA 42 Ca 0.23 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1gwp h ALA 42 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1gwp h ALA 42 CO -0.02 0.72 0.34 -0.07 0.00 0.00 0.00 179.25 180.22 1gwp h LEU 43 N 0.40 0.59 0.00 0.00 3.38 -0.38 -3.37 115.31 115.94 1gwp h LEU 43 Ca -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1gwp h LEU 43 Cb 1.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1gwp h LEU 43 CO 0.17 0.43 0.00 -0.24 0.09 0.00 0.00 178.44 178.89 1gwp n SER 44 N -4.73 0.00 0.00 -0.43 2.88 0.13 -4.90 113.62 106.57 1gwp n SER 44 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1gwp n SER 44 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.57 0.00 0.00 -1.46 2.13 0.83 -3.92 120.64 117.65 1gwp n GLU 45 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1gwp n GLU 45 Cb 0.00 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.32 1gwp n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gwp n GLY 46 N -1.93 0.00 3.77 8.31 0.00 -1.26 -4.57 105.19 109.50 1gwp n GLY 46 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.48 0.90 4.61 0.00 -1.25 -4.26 121.76 125.24 1gwp s ALA 47 Ca 0.00 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 1gwp s ALA 47 Cb 0.00 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.84 1gwp s ALA 47 CO 0.00 -0.53 0.36 2.41 0.00 0.00 0.00 175.76 178.00 1gwp n THR 48 N 0.94 0.00 0.05 0.00 -1.04 -1.26 -4.42 114.28 108.55 1gwp n THR 48 Ca -0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1gwp n THR 48 Cb 0.42 -0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 1gwp n THR 48 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1gwp h PRO 49 N 0.00 0.47 -0.03 -2.82 0.13 -1.94 -1.33 132.00 126.48 1gwp h PRO 49 Ca -0.16 -0.45 -0.20 0.00 -0.87 0.00 0.00 66.00 64.31 1gwp h PRO 49 Cb 0.55 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 1gwp h PRO 49 CO 0.10 1.10 -0.85 1.96 -0.23 0.00 0.00 178.00 180.08 1gwp h GLN 50 N 0.29 0.36 0.25 0.86 4.20 -1.98 -1.09 115.11 118.00 1gwp h GLN 50 Ca -0.07 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 1gwp h GLN 50 Cb 1.49 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.37 1gwp h GLN 50 CO 0.16 1.02 -0.12 -0.44 -0.67 0.00 0.00 178.83 178.78 1gwp h ASP 51 N 0.22 -0.28 0.10 1.46 3.32 -1.88 0.19 116.42 119.55 1gwp h ASP 51 Ca -0.05 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.77 1gwp h ASP 51 Cb 1.46 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 41.05 1gwp h ASP 51 CO 0.14 0.15 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.56 1gwp h LEU 52 N -0.77 -0.51 -0.94 1.55 3.38 -1.31 0.15 115.31 116.86 1gwp h LEU 52 Ca -0.03 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.13 1gwp h LEU 52 Cb 0.50 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 1gwp h LEU 52 CO 0.06 -0.26 0.56 -1.13 0.09 0.00 0.00 178.44 177.75 1gwp h ASN 53 N -0.35 0.76 0.78 -0.43 -0.73 -1.24 -0.32 115.58 114.04 1gwp h ASN 53 Ca 0.03 0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.23 1gwp h ASN 53 Cb 0.37 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 38.90 1gwp h ASN 53 CO -0.11 0.36 -0.37 0.74 -0.37 0.00 0.00 177.43 177.68 1gwp h THR 54 N 0.82 0.21 -1.01 -3.57 2.02 0.18 0.13 112.91 111.69 1gwp h THR 54 Ca 0.49 -0.05 0.24 0.00 0.77 0.00 0.00 66.41 67.85 1gwp h THR 54 Cb 0.60 0.23 -0.10 0.00 -1.74 0.00 0.00 68.15 67.13 1gwp h THR 54 CO -0.31 0.01 0.63 -0.03 0.37 0.00 0.00 175.52 176.18 1gwp h MET 55 N -1.08 0.53 -0.19 6.66 4.05 -0.00 0.54 114.93 125.43 1gwp h MET 55 Ca -0.11 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 1gwp h MET 55 Cb 0.81 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1gwp h MET 55 CO 0.17 0.35 -0.11 -0.07 0.23 0.00 0.00 176.91 177.48 1gwp h LEU 56 N 0.54 0.43 -1.48 3.39 3.38 -0.74 -2.18 115.31 118.64 1gwp h LEU 56 Ca 0.60 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1gwp h LEU 56 Cb 1.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1gwp h LEU 56 CO -0.36 0.76 0.18 0.78 0.09 0.00 0.00 178.44 179.89 1gwp h ASN 57 N 0.09 0.48 -0.67 -0.43 4.21 0.21 -1.58 115.58 117.89 1gwp h ASN 57 Ca 0.04 -0.04 -0.07 0.00 1.21 0.00 0.00 56.30 57.45 1gwp h ASN 57 Cb 0.61 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.66 1gwp h ASN 57 CO 0.03 0.41 0.16 0.74 -1.29 0.00 0.00 177.43 177.48 1gwp h THR 58 N 0.54 1.26 -1.73 2.81 2.02 0.16 -3.45 112.91 114.52 1gwp h THR 58 Ca 0.14 -0.97 -0.50 0.00 0.77 0.00 0.00 66.41 65.85 1gwp h THR 58 Cb 0.06 0.56 0.25 0.00 -1.74 0.00 0.00 68.15 67.28 1gwp h THR 58 CO -0.02 0.37 -2.01 0.55 0.37 0.00 0.00 175.52 174.78 1gwp n VAL 59 N -4.23 0.00 -0.22 3.16 3.14 -0.60 -4.79 118.33 114.79 1gwp n VAL 59 Ca 0.05 -0.20 -0.06 0.00 -2.96 0.00 0.00 64.34 61.17 1gwp n VAL 59 Cb 0.26 -0.17 -0.05 0.00 -1.06 0.00 0.00 33.84 32.82 1gwp n VAL 59 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1gwp h GLY 60 N -1.25 -1.69 0.00 7.55 0.00 -1.86 -3.46 103.07 102.36 1gwp h GLY 60 Ca -0.43 0.96 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1gwp h GLY 60 CO 0.26 -0.44 0.00 0.61 0.00 0.00 0.00 176.54 176.97 1gwp n GLY 61 N -1.14 0.65 3.70 4.60 0.00 -1.26 -5.12 105.19 106.62 1gwp n GLY 61 Ca 0.01 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 3.46 0.24 1.61 3.76 -1.26 -4.96 115.29 118.14 1gwp s HIS 62 Ca 0.00 0.83 -0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1gwp s HIS 62 Cb 0.00 -2.59 0.29 0.00 1.11 0.00 0.00 32.58 31.39 1gwp s HIS 62 CO 0.00 0.07 1.64 -0.56 -0.85 0.00 0.00 174.74 175.04 1gwp h GLN 63 N 7.01 0.54 0.00 1.40 3.07 -2.00 0.19 115.11 125.33 1gwp h GLN 63 Ca -0.38 -0.24 -0.00 0.00 0.09 0.00 0.00 58.65 58.11 1gwp h GLN 63 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1gwp h GLN 63 CO 0.75 0.81 -0.00 0.00 0.09 0.00 0.00 178.83 180.47 1gwp h ALA 64 N 1.18 -0.01 0.36 0.06 0.00 -1.98 0.40 119.26 119.27 1gwp h ALA 64 Ca 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1gwp h ALA 64 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1gwp h ALA 64 CO 0.07 -0.25 -0.18 0.00 0.00 0.00 0.00 179.25 178.89 1gwp h ALA 65 N 0.47 -0.49 -0.76 0.00 0.00 -1.96 -1.29 119.26 115.22 1gwp h ALA 65 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gwp h ALA 65 Cb 0.51 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1gwp h ALA 65 CO 0.00 -0.78 0.46 0.52 0.00 0.00 0.00 179.25 179.45 1gwp h MET 66 N -0.50 1.02 0.08 0.00 2.07 -0.68 -1.28 114.93 115.65 1gwp h MET 66 Ca -0.05 -0.09 0.02 0.00 -2.07 0.00 0.00 59.70 57.51 1gwp h MET 66 Cb 0.39 -0.22 -0.03 0.00 -1.87 0.00 0.00 31.60 29.87 1gwp h MET 66 CO 0.07 0.72 -0.21 0.37 1.07 0.00 0.00 176.91 178.93 1gwp h GLN 67 N 1.04 -0.36 -0.55 1.72 4.15 0.22 0.25 115.11 121.58 1gwp h GLN 67 Ca 0.27 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1gwp h GLN 67 Cb -0.04 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1gwp h GLN 67 CO -0.05 -0.24 0.33 0.52 -1.93 0.00 0.00 178.83 177.46 1gwp h MET 68 N -0.38 0.75 -0.94 1.69 2.86 -0.93 -0.82 114.93 117.17 1gwp h MET 68 Ca 0.04 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1gwp h MET 68 Cb 0.41 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 1gwp h MET 68 CO -0.14 0.54 0.61 1.25 1.06 0.00 0.00 176.91 180.24 1gwp h LEU 69 N 0.74 0.98 -0.12 1.22 5.85 -0.79 0.20 115.31 123.39 1gwp h LEU 69 Ca 0.20 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1gwp h LEU 69 Cb -0.01 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1gwp h LEU 69 CO -0.04 0.64 0.03 0.50 -0.34 0.00 0.00 178.44 179.24 1gwp h LYS 70 N 1.12 0.19 -0.64 1.25 3.11 0.23 -0.94 116.57 120.88 1gwp h LYS 70 Ca 0.39 -0.04 0.08 0.00 -2.81 0.00 0.00 60.65 58.27 1gwp h LYS 70 Cb 0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.25 1gwp h LYS 70 CO -0.14 0.34 0.31 1.49 -2.81 0.00 0.00 179.45 178.64 1gwp h GLU 71 N -0.01 0.53 0.91 1.90 4.57 -0.27 0.16 114.58 122.38 1gwp h GLU 71 Ca 0.04 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1gwp h GLU 71 Cb 0.24 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1gwp h GLU 71 CO -0.00 0.35 -0.45 1.15 -1.18 0.00 0.00 179.01 178.88 1gwp h THR 72 N 0.54 0.00 -0.61 0.32 2.02 -0.77 0.11 112.91 114.52 1gwp h THR 72 Ca 0.31 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.61 1gwp h THR 72 Cb 0.30 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.60 1gwp h THR 72 CO -0.25 0.00 -0.15 0.40 0.37 0.00 0.00 175.52 175.89 1gwp h ILE 73 N -1.24 0.39 -0.56 3.11 2.04 -0.90 1.04 117.51 121.40 1gwp h ILE 73 Ca -0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1gwp h ILE 73 Cb 0.95 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1gwp h ILE 73 CO 0.20 0.00 0.37 -1.13 0.00 0.00 0.00 178.15 177.59 1gwp h ASN 74 N -0.00 0.38 0.35 1.72 -1.24 -0.51 -0.86 115.58 115.41 1gwp h ASN 74 Ca 0.29 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 1gwp h ASN 74 Cb 0.45 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1gwp h ASN 74 CO -0.63 0.24 -0.17 -0.08 -1.29 0.00 0.00 177.43 175.50 1gwp h GLU 75 N 0.42 -0.45 -1.09 6.67 4.81 0.37 -1.27 114.58 124.04 1gwp h GLU 75 Ca 0.25 0.03 0.31 0.00 -0.13 0.00 0.00 59.36 59.82 1gwp h GLU 75 Cb 0.44 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.80 1gwp h GLU 75 CO -0.07 -0.30 0.68 0.93 -0.73 0.00 0.00 179.01 179.53 1gwp h GLU 76 N -0.56 0.32 0.08 1.92 4.39 -0.79 0.45 114.58 120.40 1gwp h GLU 76 Ca -0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1gwp h GLU 76 Cb 0.36 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1gwp h GLU 76 CO 0.08 0.21 -0.04 0.00 -1.16 0.00 0.00 179.01 178.10 1gwp h ALA 77 N 1.67 -0.11 -0.29 3.43 0.00 -1.05 0.47 119.26 123.38 1gwp h ALA 77 Ca 0.68 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.58 1gwp h ALA 77 Cb 1.75 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 1gwp h ALA 77 CO -0.40 -0.53 0.01 0.00 0.00 0.00 0.00 179.25 178.33 1gwp h ALA 78 N 0.72 0.26 -0.40 0.00 0.00 0.10 0.02 119.26 119.97 1gwp h ALA 78 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1gwp h ALA 78 Cb 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1gwp h ALA 78 CO 0.02 -0.40 0.16 1.49 0.00 0.00 0.00 179.25 180.52 1gwp h GLU 79 N 0.09 0.56 -0.46 0.00 4.81 -0.77 -0.85 114.58 117.97 1gwp h GLU 79 Ca 0.14 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1gwp h GLU 79 Cb 0.18 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1gwp h GLU 79 CO -0.23 0.47 0.28 2.35 -0.73 0.00 0.00 179.01 181.15 1gwp h TRP 80 N 0.56 0.62 -0.35 0.92 2.91 0.17 0.35 115.95 121.12 1gwp h TRP 80 Ca 0.14 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 1gwp h TRP 80 Cb 0.11 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 1gwp h TRP 80 CO 0.01 0.44 0.18 0.22 -1.03 0.00 0.00 178.44 178.25 1gwp h ASP 81 N 0.62 0.45 -0.76 2.65 3.58 -0.16 0.53 116.42 123.33 1gwp h ASP 81 Ca 0.17 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.53 1gwp h ASP 81 Cb 0.00 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 1gwp h ASP 81 CO -0.03 0.43 0.49 -0.09 -2.88 0.00 0.00 179.24 177.16 1gwp h ARG 82 N 0.44 0.95 0.00 0.28 2.43 -0.63 -3.25 114.38 114.61 1gwp h ARG 82 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1gwp h ARG 82 Cb 0.09 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1gwp h ARG 82 CO -0.02 0.63 0.00 1.28 -1.51 0.00 0.00 179.97 180.35 1gwp n LEU 83 N -4.59 0.07 -4.62 3.80 4.77 0.12 -4.60 117.00 111.94 1gwp n LEU 83 Ca 0.08 0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 56.37 1gwp n LEU 83 Cb 0.06 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1gwp n LEU 83 CO 0.35 -0.48 1.36 -1.00 -1.33 0.00 0.00 177.39 176.29 1gwp s HIS 84 N -1.98 2.14 -0.75 -1.77 3.76 0.18 -4.92 115.29 111.95 1gwp s HIS 84 Ca 0.00 0.61 -0.26 0.00 -0.15 0.00 0.00 55.06 55.25 1gwp s HIS 84 Cb 0.00 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.65 1gwp s HIS 84 CO 0.00 -2.71 1.59 -1.25 -0.85 0.00 0.00 174.74 171.53 1gwp s PRO 85 N 4.83 2.96 -0.30 8.40 0.04 -1.26 -4.51 135.00 145.16 1gwp s PRO 85 Ca 0.70 -0.04 -0.09 0.00 0.04 0.00 0.00 61.00 61.61 1gwp s PRO 85 Cb -0.22 -4.51 0.18 0.00 0.04 0.00 0.00 34.50 29.99 1gwp s PRO 85 CO 0.30 -2.52 0.95 0.54 0.04 0.00 0.00 177.00 176.32 1gwp s VAL 86 N 7.38 -0.44 -0.38 -0.36 0.11 -1.26 -5.05 120.40 120.40 1gwp s VAL 86 Ca 0.52 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.64 1gwp s VAL 86 Cb -0.09 -0.77 0.29 0.00 -1.53 0.00 0.00 36.38 34.29 1gwp s VAL 86 CO 0.12 0.00 1.27 1.57 -3.33 0.00 0.00 175.10 174.73 1gwp n HIS 87 N 5.35 -1.87 -3.94 1.54 -0.00 -1.26 -4.76 115.22 110.28 1gwp n HIS 87 Ca -0.00 -1.57 0.02 0.00 -0.00 0.00 0.00 57.72 56.17 1gwp n HIS 87 Cb 0.55 1.48 0.01 0.00 -0.00 0.00 0.00 29.99 32.03 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 -0.56 -2.25 -0.73 1.57 0.00 -1.26 -5.15 120.51 112.13 1gwp n ALA 88 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1gwp n ALA 88 Cb 0.79 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.57 -1.66 3.58 0.00 0.00 -1.26 -4.87 105.19 100.41 1gwp n GLY 89 Ca 0.03 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.46 3.26 0.53 1.61 0.04 -1.26 -4.95 135.00 132.77 1gwp s PRO 90 Ca 0.00 -1.60 -0.22 0.00 0.04 0.00 0.00 61.00 59.22 1gwp s PRO 90 Cb 0.00 -5.40 -0.05 0.00 0.04 0.00 0.00 34.50 29.09 1gwp s PRO 90 CO 0.00 -3.11 1.37 -0.89 0.04 0.00 0.00 177.00 174.40 1gwp n ILE 91 N 7.09 3.66 -1.24 0.56 5.41 -1.26 -4.89 119.36 128.69 1gwp n ILE 91 Ca 0.47 -0.50 -0.38 0.00 1.00 0.00 0.00 62.75 63.34 1gwp n ILE 91 Cb 0.46 -1.69 0.03 0.00 -0.71 0.00 0.00 39.64 37.73 1gwp n ILE 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gwp n ALA 92 N -0.90 -2.94 -2.32 -1.39 0.00 -1.26 -4.72 120.51 106.98 1gwp n ALA 92 Ca 0.10 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1gwp n ALA 92 Cb 0.44 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 1gwp n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gwp s PRO 93 N -1.63 3.17 0.00 0.00 0.04 -1.26 -1.88 135.00 133.43 1gwp s PRO 93 Ca 0.57 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.52 1gwp s PRO 93 Cb -0.41 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 28.83 1gwp s PRO 93 CO 0.66 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 175.20 1gwp n GLY 94 N 6.33 0.16 3.79 0.56 0.00 -1.26 -5.13 105.19 109.64 1gwp n GLY 94 Ca 0.41 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.04 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 4.35 0.08 1.61 -1.52 -0.79 -5.01 119.66 118.38 1gwp s GLN 95 Ca 0.00 0.89 -0.31 0.00 -1.95 0.00 0.00 55.36 53.99 1gwp s GLN 95 Cb 0.00 -3.27 -0.09 0.00 -0.22 0.00 0.00 33.01 29.43 1gwp s GLN 95 CO 0.00 0.56 1.70 1.41 -0.25 0.00 0.00 175.29 178.71 1gwp s MET 96 N -0.93 4.18 0.62 2.91 -2.45 -1.26 -4.79 119.30 117.58 1gwp s MET 96 Ca 0.32 2.40 -0.07 0.00 -1.25 0.00 0.00 55.69 57.09 1gwp s MET 96 Cb -0.21 -3.61 0.14 0.00 1.25 0.00 0.00 34.83 32.41 1gwp s MET 96 CO 0.21 -0.77 0.85 0.54 1.05 0.00 0.00 175.02 176.91 1gwp n ARG 97 N 5.65 -0.50 -3.13 4.11 1.74 -1.26 -5.05 116.66 118.22 1gwp n ARG 97 Ca 0.16 -1.66 -0.23 0.00 -0.77 0.00 0.00 57.85 55.36 1gwp n ARG 97 Cb 0.40 -0.76 -0.04 0.00 -1.02 0.00 0.00 32.46 31.03 1gwp n ARG 97 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1gwp n GLU 98 N -2.72 1.84 -1.54 5.56 0.00 -1.26 -5.05 120.64 117.48 1gwp n GLU 98 Ca 0.12 -3.98 -0.29 0.00 0.00 0.00 0.00 57.16 53.01 1gwp n GLU 98 Cb 0.41 -1.87 0.14 0.00 0.00 0.00 0.00 31.44 30.12 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1gwp s PRO 99 N -2.61 1.03 -0.36 3.44 0.04 -1.26 -4.89 135.00 130.39 1gwp s PRO 99 Ca 0.42 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.76 1gwp s PRO 99 Cb 0.28 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 33.16 1gwp s PRO 99 CO -0.10 -2.26 0.49 1.03 0.04 0.00 0.00 177.00 176.20 1gwp s ARG 100 N -5.31 0.64 0.00 4.56 1.81 -1.26 -4.94 118.95 114.45 1gwp s ARG 100 Ca 0.64 -0.29 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 1gwp s ARG 100 Cb -0.14 -0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.11 1gwp s ARG 100 CO 0.53 -1.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.42 1gwp n GLY 101 N 4.68 1.35 0.33 -3.53 0.00 -1.26 -3.04 105.19 103.71 1gwp n GLY 101 Ca 0.08 -0.57 0.21 0.00 0.00 0.00 0.00 46.02 45.74 1gwp n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gwp h SER 102 N 0.00 -0.01 -0.28 1.61 0.02 -1.96 1.33 113.55 114.26 1gwp h SER 102 Ca 0.00 0.25 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1gwp h SER 102 Cb 0.00 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1gwp h SER 102 CO 0.00 -0.32 0.13 -2.24 -1.14 0.00 0.00 176.83 173.26 1gwp h ASP 103 N 0.08 0.19 0.46 3.07 2.03 -1.92 0.12 116.42 120.44 1gwp h ASP 103 Ca 0.69 0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 57.00 1gwp h ASP 103 Cb 1.60 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 40.08 1gwp h ASP 103 CO -0.79 0.15 -0.01 0.40 -1.03 0.00 0.00 179.24 177.96 1gwp h ILE 104 N 0.28 0.06 0.00 4.15 2.04 0.12 0.37 117.51 124.53 1gwp h ILE 104 Ca 0.12 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1gwp h ILE 104 Cb 0.05 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1gwp h ILE 104 CO -0.09 0.01 -0.21 0.00 0.00 0.00 0.00 178.15 177.86 1gwp h ALA 105 N 1.99 1.00 -0.51 1.87 0.00 0.20 -3.44 119.26 120.37 1gwp h ALA 105 Ca -0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1gwp h ALA 105 Cb 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1gwp h ALA 105 CO 0.00 0.26 -0.15 0.41 0.00 0.00 0.00 179.25 179.77 1gwp n GLY 106 N 0.21 0.76 0.11 0.00 0.00 0.12 -4.90 105.19 101.49 1gwp n GLY 106 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 0.79 0.00 2.61 2.02 -1.78 -3.39 112.91 113.17 1gwp h THR 107 Ca -0.16 -2.54 -0.02 0.00 0.77 0.00 0.00 66.41 64.46 1gwp h THR 107 Cb 0.62 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1gwp h THR 107 CO 0.22 0.74 -1.63 0.41 0.37 0.00 0.00 175.52 175.63 1gwp n THR 108 N -3.33 0.08 -4.34 3.16 -1.04 -1.26 -5.00 114.28 102.55 1gwp n THR 108 Ca -0.24 -0.33 -0.24 0.00 -2.04 0.00 0.00 64.05 61.21 1gwp n THR 108 Cb 1.05 0.11 -0.08 0.00 -1.82 0.00 0.00 70.33 69.59 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 -3.63 4.27 0.41 8.00 1.04 -1.26 -5.07 113.70 117.46 1gwp s SER 109 Ca -0.05 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1gwp s SER 109 Cb 0.08 -0.70 0.04 0.00 0.10 0.00 0.00 66.02 65.55 1gwp s SER 109 CO 0.55 0.02 0.37 0.35 0.98 0.00 0.00 173.24 175.51 1gwp n THR 110 N -0.73 0.00 0.37 2.02 -2.24 -1.26 -4.38 114.28 108.05 1gwp n THR 110 Ca -0.06 -1.57 -0.19 0.00 -2.27 0.00 0.00 64.05 59.95 1gwp n THR 110 Cb 0.59 -0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.46 1gwp n THR 110 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1gwp h LEU 111 N 0.00 -1.33 -0.94 3.22 5.85 -1.99 -0.74 115.31 119.39 1gwp h LEU 111 Ca -0.24 0.09 0.28 0.00 0.84 0.00 0.00 57.88 58.84 1gwp h LEU 111 Cb 0.94 0.41 -0.16 0.00 0.37 0.00 0.00 40.66 42.21 1gwp h LEU 111 CO 0.38 -0.72 0.19 1.56 -0.34 0.00 0.00 178.44 179.50 1gwp h GLN 112 N -1.12 0.09 -0.57 1.25 4.20 -1.98 1.14 115.11 118.10 1gwp h GLN 112 Ca -0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1gwp h GLN 112 Cb 0.93 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1gwp h GLN 112 CO 0.03 0.06 0.33 0.93 -0.67 0.00 0.00 178.83 179.51 1gwp h GLU 113 N 0.09 0.78 -0.51 1.46 3.07 -1.78 -1.15 114.58 116.55 1gwp h GLU 113 Ca 0.61 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 59.32 1gwp h GLU 113 Cb 1.32 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 1gwp h GLU 113 CO -0.79 0.58 0.03 1.96 -1.40 0.00 0.00 179.01 179.39 1gwp h GLN 114 N 0.77 0.83 -0.48 2.33 1.08 0.26 -1.41 115.11 118.50 1gwp h GLN 114 Ca 0.20 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1gwp h GLN 114 Cb 0.01 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1gwp h GLN 114 CO -0.04 0.82 0.28 0.82 -0.95 0.00 0.00 178.83 179.76 1gwp h ILE 115 N 0.78 1.15 -0.19 2.54 1.08 0.36 0.36 117.51 123.59 1gwp h ILE 115 Ca 0.16 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1gwp h ILE 115 Cb 0.43 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1gwp h ILE 115 CO 0.02 0.15 0.09 1.23 -0.69 0.00 0.00 178.15 178.95 1gwp h GLY 116 N 0.63 0.29 1.15 5.37 0.00 -0.87 0.56 103.07 110.20 1gwp h GLY 116 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1gwp h GLY 116 CO -0.03 0.13 0.47 1.49 0.00 0.00 0.00 176.54 178.60 1gwp h TRP 117 N 0.18 1.09 -0.46 5.60 6.55 -0.98 0.25 115.95 128.17 1gwp h TRP 117 Ca 0.06 -0.01 -0.13 0.00 0.95 0.00 0.00 58.89 59.76 1gwp h TRP 117 Cb 0.11 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 28.04 1gwp h TRP 117 CO -0.03 0.74 -0.22 0.52 -1.05 0.00 0.00 178.44 178.40 1gwp h MET 118 N 1.13 0.94 -0.76 0.49 2.86 0.25 0.66 114.93 120.50 1gwp h MET 118 Ca 0.29 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1gwp h MET 118 Cb -0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1gwp h MET 118 CO -0.05 1.06 0.09 2.41 1.06 0.00 0.00 176.91 181.48 1gwp n THR 119 N -4.11 2.10 -2.75 2.22 -1.04 0.19 -3.93 114.28 106.97 1gwp n THR 119 Ca 0.00 -1.07 -0.22 0.00 -2.04 0.00 0.00 64.05 60.71 1gwp n THR 119 Cb 0.46 -0.39 0.03 0.00 -1.82 0.00 0.00 70.33 68.60 1gwp n THR 119 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1gwp s HIS 120 N -2.29 3.04 -0.27 -1.42 5.04 0.80 -4.92 115.29 115.27 1gwp s HIS 120 Ca 0.40 0.15 0.02 0.00 -1.54 0.00 0.00 55.06 54.09 1gwp s HIS 120 Cb 0.31 -2.59 0.06 0.00 0.04 0.00 0.00 32.58 30.40 1gwp s HIS 120 CO 0.11 -0.68 -0.08 -0.80 -2.34 0.00 0.00 174.74 170.94 1gwp s ASN 121 N -4.33 4.53 0.82 9.88 -0.87 -1.26 0.19 114.94 123.89 1gwp s ASN 121 Ca 0.53 -1.43 -0.12 0.00 -1.57 0.00 0.00 52.86 50.28 1gwp s ASN 121 Cb -0.10 -1.58 0.08 0.00 -0.02 0.00 0.00 41.25 39.63 1gwp s ASN 121 CO 0.39 -0.21 1.10 -2.16 -2.57 0.00 0.00 177.10 173.65 1gwp s PRO 122 N 1.11 1.91 -0.21 -0.60 0.04 -1.26 -5.08 135.00 130.91 1gwp s PRO 122 Ca -0.07 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 1gwp s PRO 122 Cb -0.20 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1gwp s PRO 122 CO -0.05 -1.73 1.30 -1.25 0.04 0.00 0.00 177.00 175.32 1gwp s PRO 123 N -5.18 4.10 -0.08 0.56 0.04 0.49 -4.94 135.00 130.00 1gwp s PRO 123 Ca 0.61 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 1gwp s PRO 123 Cb -0.14 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1gwp s PRO 123 CO 0.54 -0.88 1.35 0.42 0.04 0.00 0.00 177.00 178.47 1gwp s ILE 124 N 3.89 4.00 0.00 0.56 1.01 0.23 -4.88 121.20 126.01 1gwp s ILE 124 Ca 0.56 1.29 -0.04 0.00 0.00 0.00 0.00 60.65 62.46 1gwp s ILE 124 Cb -0.20 -3.83 -0.17 0.00 0.01 0.00 0.00 42.46 38.27 1gwp s ILE 124 CO 0.18 -0.06 2.64 -0.81 0.00 0.00 0.00 174.94 176.89 1gwp n PRO 125 N 6.03 1.38 -0.17 2.79 -0.04 -1.26 -3.72 135.00 140.02 1gwp n PRO 125 Ca 0.14 -0.63 0.23 0.00 -0.04 0.00 0.00 63.50 63.20 1gwp n PRO 125 Cb 0.44 -1.76 0.64 0.00 -0.04 0.00 0.00 33.50 32.78 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 2.10 0.63 0.00 0.52 3.04 -1.90 0.38 116.25 121.02 1gwp h VAL 126 Ca 0.12 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1gwp h VAL 126 Cb 1.08 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1gwp h VAL 126 CO 0.25 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.45 1gwp n GLY 127 N -1.63 -1.23 0.43 3.17 0.00 -1.26 -1.50 105.19 103.18 1gwp n GLY 127 Ca 0.17 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.47 1gwp n GLY 127 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gwp h GLU 128 N 0.00 0.27 0.81 1.61 4.81 -1.74 0.27 114.58 120.61 1gwp h GLU 128 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1gwp h GLU 128 Cb 0.00 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1gwp h GLU 128 CO 0.00 0.18 -0.39 0.82 -0.73 0.00 0.00 179.01 178.89 1gwp h ILE 129 N 0.28 0.10 -0.96 2.32 2.04 -0.31 -1.09 117.51 119.88 1gwp h ILE 129 Ca 0.66 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 66.49 1gwp h ILE 129 Cb 1.86 0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 1gwp h ILE 129 CO -0.31 0.01 0.61 0.22 0.00 0.00 0.00 178.15 178.68 1gwp h TYR 130 N -1.22 1.05 -0.33 1.37 3.20 0.25 0.27 116.97 121.56 1gwp h TYR 130 Ca -0.11 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.81 1gwp h TYR 130 Cb 0.84 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 1gwp h TYR 130 CO -0.00 0.42 0.15 -0.22 -1.64 0.00 0.00 178.16 176.87 1gwp h LYS 131 N 0.92 0.31 -0.13 1.82 3.11 -0.41 0.14 116.57 122.33 1gwp h LYS 131 Ca 0.47 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 58.19 1gwp h LYS 131 Cb 0.52 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1gwp h LYS 131 CO -0.24 0.21 -0.38 -0.09 -2.81 0.00 0.00 179.45 176.14 1gwp h ARG 132 N 0.32 0.29 0.07 1.90 2.43 0.19 -1.48 114.38 118.09 1gwp h ARG 132 Ca 0.14 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1gwp h ARG 132 Cb 0.06 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1gwp h ARG 132 CO -0.10 0.63 -0.03 -1.49 -1.51 0.00 0.00 179.97 177.46 1gwp h TRP 133 N 0.24 -0.09 -0.80 2.20 4.06 0.49 0.52 115.95 122.58 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 0.78 0.03 -0.15 0.00 -1.00 0.00 0.00 29.16 28.82 1gwp h TRP 133 CO 0.02 -0.05 -0.13 0.82 -3.56 0.00 0.00 178.44 175.53 1gwp h ILE 134 N -0.10 0.23 -0.69 1.49 2.04 -0.80 1.67 117.51 121.35 1gwp h ILE 134 Ca -0.01 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.90 1gwp h ILE 134 Cb 0.07 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 1gwp h ILE 134 CO 0.02 0.00 0.46 0.40 0.00 0.00 0.00 178.15 179.03 1gwp h ILE 135 N 0.03 1.04 -0.35 -0.67 5.03 -1.19 -0.76 117.51 120.62 1gwp h ILE 135 Ca 0.40 -0.26 0.02 0.00 -0.12 0.00 0.00 64.86 64.91 1gwp h ILE 135 Cb 0.66 0.23 -0.03 0.00 -3.03 0.00 0.00 36.82 34.66 1gwp h ILE 135 CO -0.78 0.14 0.19 0.25 -0.68 0.00 0.00 178.15 177.26 1gwp h LEU 136 N 0.74 0.30 -0.01 1.44 6.46 0.77 -0.96 115.31 124.05 1gwp h LEU 136 Ca 0.29 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1gwp h LEU 136 Cb 0.21 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1gwp h LEU 136 CO -0.09 0.22 0.01 1.23 -0.62 0.00 0.00 178.44 179.18 1gwp h GLY 137 N 0.40 0.02 0.02 3.75 0.00 0.12 -0.85 103.07 106.53 1gwp h GLY 137 Ca 0.14 -0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.59 1gwp h GLY 137 CO -0.08 0.01 0.08 1.41 0.00 0.00 0.00 176.54 177.95 1gwp h LEU 138 N -0.05 -0.12 -0.41 3.11 3.38 -0.92 0.56 115.31 120.85 1gwp h LEU 138 Ca 0.00 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1gwp h LEU 138 Cb 0.07 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1gwp h LEU 138 CO -0.00 -0.06 0.27 0.78 0.09 0.00 0.00 178.44 179.52 1gwp h ASN 139 N 0.19 0.46 -0.67 -0.43 2.35 -0.86 0.97 115.58 117.59 1gwp h ASN 139 Ca 0.34 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.10 1gwp h ASN 139 Cb 0.54 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 1gwp h ASN 139 CO -0.48 0.33 0.44 0.50 -1.65 0.00 0.00 177.43 176.58 1gwp h LYS 140 N 0.55 0.83 -0.06 0.81 3.64 0.69 0.45 116.57 123.48 1gwp h LYS 140 Ca 0.15 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1gwp h LYS 140 Cb -0.05 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1gwp h LYS 140 CO -0.04 0.55 0.00 0.82 -2.27 0.00 0.00 179.45 178.51 1gwp h ILE 141 N 0.85 1.24 -0.33 2.00 2.04 0.11 -0.19 117.51 123.23 1gwp h ILE 141 Ca 0.26 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1gwp h ILE 141 Cb -0.01 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1gwp h ILE 141 CO -0.07 0.20 0.06 0.58 0.00 0.00 0.00 178.15 178.93 1gwp h VAL 142 N -0.18 1.17 -0.08 1.67 2.07 -0.10 0.23 116.25 121.02 1gwp h VAL 142 Ca 0.02 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1gwp h VAL 142 Cb 0.31 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1gwp h VAL 142 CO 0.00 0.21 0.02 -0.09 0.02 0.00 0.00 177.57 177.74 1gwp h ARG 143 N 0.48 0.13 -0.24 1.57 2.43 0.19 -0.89 114.38 118.05 1gwp h ARG 143 Ca 0.11 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1gwp h ARG 143 Cb 0.22 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1gwp h ARG 143 CO -0.00 0.31 -0.03 1.98 -1.51 0.00 0.00 179.97 180.72 1gwp h MET 144 N -0.08 0.44 -0.13 0.20 4.05 -0.61 -3.19 114.93 115.61 1gwp h MET 144 Ca 0.03 -0.15 0.04 0.00 -0.28 0.00 0.00 59.70 59.34 1gwp h MET 144 Cb 0.24 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 1gwp h MET 144 CO 0.00 0.64 -0.18 1.88 0.23 0.00 0.00 176.91 179.49 1gwp h TYR 145 N 0.19 -0.45 -6.52 1.39 -1.99 -0.53 -3.47 116.97 105.59 1gwp h TYR 145 Ca 0.06 0.02 -0.39 0.00 2.00 0.00 0.00 58.73 60.43 1gwp h TYR 145 Cb 0.46 0.22 0.01 0.00 2.00 0.00 0.00 36.73 39.43 1gwp h TYR 145 CO 0.04 -0.25 -1.14 0.45 -0.00 0.00 0.00 178.16 177.26 1gwp n SER 146 N -5.32 -5.51 -3.56 3.88 2.88 -0.34 -4.94 113.62 100.71 1gwp n SER 146 Ca -0.03 -0.30 -0.26 0.00 -1.33 0.00 0.00 58.87 56.95 1gwp n SER 146 Cb 0.23 -1.89 0.20 0.00 -0.75 0.00 0.00 64.21 62.01 1gwp n SER 146 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1gwp n PRO 147 N -0.74 -2.00 -0.08 -1.46 -0.04 -1.26 -5.05 135.00 124.37 1gwp n PRO 147 Ca -0.13 -1.69 -0.07 0.00 -0.04 0.00 0.00 63.50 61.57 1gwp n PRO 147 Cb 0.67 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 1gwp n PRO 147 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1gwp n THR 148 N -4.09 1.36 -3.39 0.52 -1.04 -1.26 -5.03 114.28 101.34 1gwp n THR 148 Ca 0.14 0.18 0.02 0.00 -2.04 0.00 0.00 64.05 62.35 1gwp n THR 148 Cb 0.52 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.70 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 -5.71 -0.81 -0.05 8.00 1.04 -1.26 -5.08 113.70 109.82 1gwp s SER 149 Ca -0.24 0.93 -0.04 0.00 0.48 0.00 0.00 55.95 57.08 1gwp s SER 149 Cb 0.03 1.85 0.02 0.00 0.10 0.00 0.00 66.02 68.01 1gwp s SER 149 CO 0.35 -0.15 0.08 -0.38 0.98 0.00 0.00 173.24 174.12 1gwp n ILE 150 N 5.22-10.99 0.39 -1.02 5.41 -1.26 -5.32 119.36 111.79 1gwp n ILE 150 Ca -0.08 2.39 0.05 0.00 1.00 0.00 0.00 62.75 66.10 1gwp n ILE 150 Cb 0.52 -5.66 0.04 0.00 -0.71 0.00 0.00 39.64 33.83 1gwp n ILE 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44