#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 5.22 0.19 0.52 1.01 -1.26 0.32 121.20 127.21 1gwp s ILE 2 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1gwp s ILE 2 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1gwp s ILE 2 CO 0.00 0.52 0.40 0.68 0.00 0.00 0.00 174.94 176.54 1gwp s VAL 3 N -1.09 0.04 0.10 2.92 -7.23 -0.13 -4.90 120.40 110.10 1gwp s VAL 3 Ca 0.18 -1.23 -0.23 0.00 -1.81 0.00 0.00 61.98 58.90 1gwp s VAL 3 Cb -0.12 -1.86 -0.07 0.00 0.56 0.00 0.00 36.38 34.89 1gwp s VAL 3 CO 0.08 -0.17 0.69 -1.58 -0.31 0.00 0.00 175.10 173.81 1gwp s GLN 4 N -3.96 4.41 0.32 4.82 0.74 -1.26 -1.33 119.66 123.40 1gwp s GLN 4 Ca 0.16 0.96 0.03 0.00 0.05 0.00 0.00 55.36 56.57 1gwp s GLN 4 Cb 0.01 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.83 1gwp s GLN 4 CO 0.02 0.52 0.35 0.27 -0.55 0.00 0.00 175.29 175.89 1gwp n ASN 5 N 1.97 -0.92 0.00 6.67 0.23 0.42 -4.91 115.26 118.72 1gwp n ASN 5 Ca -0.07 -2.93 0.00 0.00 -0.53 0.00 0.00 54.58 51.05 1gwp n ASN 5 Cb 0.50 1.91 0.00 0.00 -2.08 0.00 0.00 39.78 40.11 1gwp n ASN 5 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1gwp n LEU 6 N 0.00 0.00 0.00 -4.53 7.94 -1.26 -1.80 117.00 117.35 1gwp n LEU 6 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1gwp n LEU 6 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1gwp n LEU 6 CO 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.56 1gwp n GLN 7 N 0.00 0.00 -1.02 1.96 0.00 -1.26 -4.96 117.38 112.10 1gwp n GLN 7 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.00 56.97 1gwp n GLN 7 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1gwp n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gwp n GLY 8 N 0.00 0.06 3.11 2.61 0.00 -1.17 -5.12 105.19 104.68 1gwp n GLY 8 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 0.01 2.71 0.05 1.61 -1.52 -0.75 -4.98 119.66 116.80 1gwp s GLN 9 Ca 0.01 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.39 1gwp s GLN 9 Cb 0.05 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.50 1gwp s GLN 9 CO -0.01 -0.11 1.01 1.41 -0.25 0.00 0.00 175.29 177.33 1gwp s MET 10 N 1.09 4.59 0.05 2.91 -2.45 -1.26 -0.44 119.30 123.80 1gwp s MET 10 Ca -0.02 1.49 -0.10 0.00 -1.25 0.00 0.00 55.69 55.81 1gwp s MET 10 Cb -0.14 -3.41 0.00 0.00 1.25 0.00 0.00 34.83 32.53 1gwp s MET 10 CO -0.06 0.01 0.21 0.14 1.05 0.00 0.00 175.02 176.36 1gwp s VAL 11 N 0.66 0.11 0.54 10.11 -7.23 -0.44 -4.94 120.40 119.21 1gwp s VAL 11 Ca 0.51 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.58 1gwp s VAL 11 Cb -0.23 -1.02 -0.07 0.00 0.56 0.00 0.00 36.38 35.62 1gwp s VAL 11 CO 0.29 -0.52 1.01 -1.38 -0.31 0.00 0.00 175.10 174.19 1gwp s HIS 12 N -2.90 3.33 -0.22 2.82 -3.43 -1.26 -0.95 115.29 112.68 1gwp s HIS 12 Ca -0.02 1.47 -0.01 0.00 -0.80 0.00 0.00 55.06 55.70 1gwp s HIS 12 Cb 0.00 -2.85 0.01 0.00 -1.43 0.00 0.00 32.58 28.32 1gwp s HIS 12 CO -0.06 -0.58 -0.10 -1.14 -2.00 0.00 0.00 174.74 170.86 1gwp s GLN 13 N -4.11 3.03 1.01 -0.38 0.74 0.15 -4.81 119.66 115.29 1gwp s GLN 13 Ca 0.60 -0.84 -0.20 0.00 0.05 0.00 0.00 55.36 54.97 1gwp s GLN 13 Cb -0.12 -2.85 -0.11 0.00 1.10 0.00 0.00 33.01 31.04 1gwp s GLN 13 CO 0.33 -0.28 -0.80 0.00 -0.55 0.00 0.00 175.29 174.00 1gwp n ALA 14 N 4.68 -5.04 -1.04 1.58 0.00 -1.26 -3.38 120.51 116.04 1gwp n ALA 14 Ca -0.18 -1.01 -0.10 0.00 0.00 0.00 0.00 53.44 52.14 1gwp n ALA 14 Cb 0.49 -1.16 0.13 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.27 0.00 -4.41 0.00 3.06 -1.26 -4.67 119.36 108.81 1gwp n ILE 15 Ca -0.00 -0.25 -0.23 0.00 -2.50 0.00 0.00 62.75 59.77 1gwp n ILE 15 Cb 0.64 -1.13 -0.13 0.00 0.54 0.00 0.00 39.64 39.55 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 -3.02 2.18 0.13 9.51 0.15 -1.26 -5.04 113.70 116.34 1gwp s SER 16 Ca 0.36 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 56.39 1gwp s SER 16 Cb -0.03 -0.14 -0.09 0.00 -1.71 0.00 0.00 66.02 64.04 1gwp s SER 16 CO 0.28 0.07 1.31 1.55 1.20 0.00 0.00 173.24 177.65 1gwp h PRO 17 N 4.60 0.51 -0.11 5.44 0.13 -1.98 -1.57 132.00 139.01 1gwp h PRO 17 Ca -0.42 -0.49 -0.10 0.00 -0.87 0.00 0.00 66.00 64.12 1gwp h PRO 17 Cb 1.17 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1gwp h PRO 17 CO 0.42 1.13 -0.36 0.00 -0.23 0.00 0.00 178.00 178.96 1gwp h ARG 18 N 0.31 0.22 -0.00 0.86 3.08 -1.97 0.37 114.38 117.24 1gwp h ARG 18 Ca -0.07 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1gwp h ARG 18 Cb 1.52 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1gwp h ARG 18 CO 0.16 0.56 -0.03 1.15 -1.07 0.00 0.00 179.97 180.74 1gwp h THR 19 N 0.19 1.60 -0.72 2.04 2.02 -1.97 -1.31 112.91 114.76 1gwp h THR 19 Ca 0.02 -1.82 -0.07 0.00 0.77 0.00 0.00 66.41 65.32 1gwp h THR 19 Cb 0.74 2.83 -0.03 0.00 -1.74 0.00 0.00 68.15 69.94 1gwp h THR 19 CO 0.06 0.48 0.19 -0.07 0.37 0.00 0.00 175.52 176.54 1gwp h LEU 20 N -0.73 1.08 0.85 2.58 3.38 -1.24 0.16 115.31 121.40 1gwp h LEU 20 Ca -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1gwp h LEU 20 Cb 0.79 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1gwp h LEU 20 CO 0.01 1.03 -0.41 -1.13 0.09 0.00 0.00 178.44 178.02 1gwp h ASN 21 N 1.09 -0.97 -0.65 -0.43 -1.24 -0.33 0.27 115.58 113.31 1gwp h ASN 21 Ca 0.23 0.03 0.11 0.00 0.71 0.00 0.00 56.30 57.37 1gwp h ASN 21 Cb 0.36 0.25 -0.08 0.00 0.73 0.00 0.00 38.32 39.58 1gwp h ASN 21 CO -0.00 -0.66 0.24 0.00 -1.29 0.00 0.00 177.43 175.72 1gwp h ALA 22 N -1.11 0.86 0.41 1.57 0.00 -1.15 -0.24 119.26 119.59 1gwp h ALA 22 Ca -0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1gwp h ALA 22 Cb 0.89 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1gwp h ALA 22 CO 0.19 -0.20 -0.43 2.35 0.00 0.00 0.00 179.25 181.16 1gwp h TRP 23 N 0.41 -1.20 -0.97 0.00 2.91 -0.46 0.50 115.95 117.15 1gwp h TRP 23 Ca 0.34 0.01 0.31 0.00 1.13 0.00 0.00 58.89 60.68 1gwp h TRP 23 Cb 0.45 0.47 -0.16 0.00 -0.51 0.00 0.00 29.16 29.41 1gwp h TRP 23 CO -0.17 -0.57 0.35 0.28 -1.03 0.00 0.00 178.44 177.30 1gwp h VAL 24 N -0.84 0.16 -0.47 2.65 2.07 0.34 1.77 116.25 121.91 1gwp h VAL 24 Ca -0.05 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1gwp h VAL 24 Cb 0.74 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1gwp h VAL 24 CO -0.07 0.02 0.05 0.11 0.02 0.00 0.00 177.57 177.71 1gwp h LYS 25 N 0.13 0.80 0.87 1.57 1.57 0.31 0.35 116.57 122.17 1gwp h LYS 25 Ca 0.69 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 59.20 1gwp h LYS 25 Cb 1.58 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.82 1gwp h LYS 25 CO -0.74 0.83 -0.42 0.28 -0.57 0.00 0.00 179.45 178.83 1gwp h VAL 26 N 0.67 0.00 -0.97 0.50 2.07 0.74 -0.16 116.25 119.09 1gwp h VAL 26 Ca 0.14 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.78 1gwp h VAL 26 Cb 0.43 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.12 1gwp h VAL 26 CO 0.01 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.80 1gwp h VAL 27 N -1.18 0.87 -0.99 2.57 2.07 -0.16 0.44 116.25 119.86 1gwp h VAL 27 Ca -0.12 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1gwp h VAL 27 Cb 0.89 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1gwp h VAL 27 CO 0.20 0.16 0.64 -0.33 0.02 0.00 0.00 177.57 178.26 1gwp h GLU 28 N 0.88 1.14 0.00 1.57 5.08 0.03 1.71 114.58 124.99 1gwp h GLU 28 Ca 0.49 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1gwp h GLU 28 Cb 0.61 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1gwp h GLU 28 CO -0.26 0.75 -0.00 1.49 -1.00 0.00 0.00 179.01 179.99 1gwp h GLU 29 N 1.18 0.00 0.00 2.33 4.81 0.12 -3.42 114.58 119.59 1gwp h GLU 29 Ca 0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1gwp h GLU 29 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1gwp h GLU 29 CO -0.16 0.84 0.00 1.63 -0.73 0.00 0.00 179.01 180.59 1gwp n LYS 30 N -4.69 0.00 -0.93 1.92 4.01 0.12 -4.80 118.16 113.80 1gwp n LYS 30 Ca -0.10 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1gwp n LYS 30 Cb 0.41 -0.41 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 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 -1.54 -1.86 -3.27 7.82 0.00 0.58 -4.78 120.51 117.47 1gwp n ALA 31 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1gwp n ALA 31 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.10 -2.63 -4.47 0.00 3.01 -1.26 -5.03 117.46 106.97 1gwp n PHE 32 Ca 0.00 0.96 -0.29 0.00 1.01 0.00 0.00 57.45 59.13 1gwp n PHE 32 Cb 0.00 -3.85 -0.08 0.00 -0.01 0.00 0.00 39.48 35.54 1gwp n PHE 32 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1gwp s SER 33 N -3.13 4.19 0.00 4.37 0.15 -1.26 -4.69 113.70 113.33 1gwp s SER 33 Ca 0.14 -1.40 0.24 0.00 0.70 0.00 0.00 55.95 55.63 1gwp s SER 33 Cb -0.03 0.05 1.39 0.00 -1.71 0.00 0.00 66.02 65.71 1gwp s SER 33 CO 0.78 -0.71 1.79 -0.81 1.20 0.00 0.00 173.24 175.49 1gwp n PRO 34 N -1.25 0.68 -0.06 5.44 -0.04 -1.26 -1.98 135.00 136.54 1gwp n PRO 34 Ca -0.09 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1gwp n PRO 34 Cb 0.66 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1gwp n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1gwp n GLU 35 N -1.04 1.44 -0.01 0.54 4.71 -1.26 -4.42 120.64 120.59 1gwp n GLU 35 Ca 0.17 -1.42 0.05 0.00 -0.01 0.00 0.00 57.16 55.95 1gwp n GLU 35 Cb 0.10 -1.18 -0.10 0.00 -1.01 0.00 0.00 31.44 29.25 1gwp n GLU 35 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1gwp n VAL 36 N 0.36 0.09 -0.19 2.62 3.14 -0.84 -4.02 118.33 119.50 1gwp n VAL 36 Ca 0.07 -0.31 -0.09 0.00 -2.96 0.00 0.00 64.34 61.04 1gwp n VAL 36 Cb 0.29 0.11 0.01 0.00 -1.06 0.00 0.00 33.84 33.19 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 1.25 -0.02 1.55 1.08 -1.75 0.12 117.51 119.75 1gwp h ILE 37 Ca -0.04 -0.95 -0.19 0.00 -0.39 0.00 0.00 64.86 63.30 1gwp h ILE 37 Cb 0.71 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1gwp h ILE 37 CO 0.00 0.34 -0.81 1.55 -0.69 0.00 0.00 178.15 178.54 1gwp h PRO 38 N 0.76 0.23 -0.26 2.37 0.13 -1.81 -1.70 132.00 131.72 1gwp h PRO 38 Ca 0.16 -0.22 -0.14 0.00 -0.87 0.00 0.00 66.00 64.93 1gwp h PRO 38 Cb 0.40 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1gwp h PRO 38 CO 0.01 0.92 -0.40 0.52 -0.23 0.00 0.00 178.00 178.82 1gwp h MET 39 N 0.14 0.61 -0.03 0.86 2.86 -1.64 -0.41 114.93 117.32 1gwp h MET 39 Ca -0.04 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 1gwp h MET 39 Cb 1.41 0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.09 1gwp h MET 39 CO 0.13 0.91 -0.30 0.35 1.06 0.00 0.00 176.91 179.06 1gwp h PHE 40 N 0.51 0.35 -0.48 -0.22 3.57 -0.75 0.73 116.94 120.64 1gwp h PHE 40 Ca 0.04 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 1gwp h PHE 40 Cb 0.92 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1gwp h PHE 40 CO 0.04 0.94 0.16 0.66 -2.23 0.00 0.00 178.31 177.88 1gwp h SER 41 N -0.34 0.64 0.38 0.41 4.64 -1.32 -1.33 113.55 116.63 1gwp h SER 41 Ca -0.03 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 60.98 1gwp h SER 41 Cb 1.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1gwp h SER 41 CO 0.06 0.60 -0.97 0.00 -0.87 0.00 0.00 176.83 175.65 1gwp h ALA 42 N 1.50 0.35 -0.58 5.18 0.00 -1.09 -1.54 119.26 123.08 1gwp h ALA 42 Ca 0.16 -0.73 0.03 0.00 0.00 0.00 0.00 54.91 54.38 1gwp h ALA 42 Cb 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1gwp h ALA 42 CO -0.01 0.84 0.34 -0.07 0.00 0.00 0.00 179.25 180.35 1gwp h LEU 43 N 0.21 0.55 0.00 0.00 3.38 -0.10 -3.32 115.31 116.02 1gwp h LEU 43 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1gwp h LEU 43 Cb 1.61 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1gwp h LEU 43 CO 0.17 0.38 0.00 -0.24 0.09 0.00 0.00 178.44 178.83 1gwp n SER 44 N -4.77 0.00 0.00 -0.43 2.88 -0.57 -4.90 113.62 105.83 1gwp n SER 44 Ca 0.05 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 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 -0.72 0.00 0.00 -1.46 0.00 -0.58 -3.99 120.64 113.90 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 -0.61 0.00 0.00 0.00 0.00 0.00 31.44 30.83 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 -1.44 0.00 3.79 8.31 0.00 -1.26 -4.86 105.19 109.72 1gwp n GLY 46 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.51 0.99 4.61 0.00 -1.26 -4.31 121.76 124.31 1gwp s ALA 47 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1gwp s ALA 47 Cb 0.00 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.92 1gwp s ALA 47 CO 0.00 -1.31 0.35 0.25 0.00 0.00 0.00 175.76 175.05 1gwp n THR 48 N -2.81 0.00 0.13 0.00 -2.24 -1.26 -4.53 114.28 103.57 1gwp n THR 48 Ca 0.09 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 1gwp n THR 48 Cb 0.53 -1.86 0.11 0.00 -2.10 0.00 0.00 70.33 67.01 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 0.00 0.04 -0.78 0.13 -1.93 -1.50 132.00 127.95 1gwp h PRO 49 Ca -0.11 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.78 1gwp h PRO 49 Cb 0.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.47 1gwp h PRO 49 CO 0.08 0.67 -0.93 1.96 -0.23 0.00 0.00 178.00 179.55 1gwp h GLN 50 N 0.00 0.56 0.37 0.86 4.20 -1.97 0.14 115.11 119.27 1gwp h GLN 50 Ca -0.01 -0.66 -0.02 0.00 0.06 0.00 0.00 58.65 58.03 1gwp h GLN 50 Cb 1.26 0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.24 1gwp h GLN 50 CO 0.09 1.26 -0.18 0.22 -0.67 0.00 0.00 178.83 179.55 1gwp h ASP 51 N 0.15 -0.42 -0.77 1.46 1.82 -1.92 -0.73 116.42 116.00 1gwp h ASP 51 Ca -0.13 -0.13 0.01 0.00 -0.39 0.00 0.00 57.03 56.40 1gwp h ASP 51 Cb 1.62 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 41.70 1gwp h ASP 51 CO 0.18 -0.08 0.51 -0.07 -1.61 0.00 0.00 179.24 178.17 1gwp h LEU 52 N -0.80 0.87 -0.74 2.28 3.38 -1.39 -1.02 115.31 117.89 1gwp h LEU 52 Ca -0.05 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1gwp h LEU 52 Cb 0.53 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1gwp h LEU 52 CO 0.08 0.62 0.40 -1.13 0.09 0.00 0.00 178.44 178.51 1gwp h ASN 53 N 1.03 0.55 -0.11 -0.43 -0.73 -0.89 0.44 115.58 115.45 1gwp h ASN 53 Ca 0.29 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.51 1gwp h ASN 53 Cb -0.09 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.44 1gwp h ASN 53 CO -0.07 0.32 0.05 0.74 -0.37 0.00 0.00 177.43 178.10 1gwp h THR 54 N 0.68 1.12 0.00 -3.57 2.02 -0.11 -0.26 112.91 112.79 1gwp h THR 54 Ca 0.36 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1gwp h THR 54 Cb 0.33 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1gwp h THR 54 CO -0.25 0.11 -0.13 0.24 0.37 0.00 0.00 175.52 175.86 1gwp h MET 55 N 0.05 0.00 -0.10 6.66 2.86 -0.29 0.18 114.93 124.29 1gwp h MET 55 Ca 0.04 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1gwp h MET 55 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1gwp h MET 55 CO -0.00 0.13 -0.39 -0.07 1.06 0.00 0.00 176.91 177.63 1gwp h LEU 56 N 0.00 0.51 -1.23 1.22 4.07 0.44 -2.99 115.31 117.33 1gwp h LEU 56 Ca -0.00 -0.63 -0.08 0.00 0.08 0.00 0.00 57.88 57.25 1gwp h LEU 56 Cb 0.28 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1gwp h LEU 56 CO 0.02 1.06 -0.32 0.78 -1.08 0.00 0.00 178.44 178.89 1gwp h ASN 57 N -0.00 0.11 -0.67 -0.43 2.35 -0.51 -2.39 115.58 114.04 1gwp h ASN 57 Ca -0.02 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1gwp h ASN 57 Cb 1.03 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.34 1gwp h ASN 57 CO 0.08 0.43 0.44 0.74 -1.65 0.00 0.00 177.43 177.48 1gwp h THR 58 N 0.10 1.17 -1.77 2.81 2.02 -0.89 -3.44 112.91 112.90 1gwp h THR 58 Ca 0.01 -0.31 -0.50 0.00 0.77 0.00 0.00 66.41 66.39 1gwp h THR 58 Cb 0.62 0.19 0.25 0.00 -1.74 0.00 0.00 68.15 67.47 1gwp h THR 58 CO 0.05 0.16 -1.94 0.55 0.37 0.00 0.00 175.52 174.71 1gwp n VAL 59 N -4.44 0.00 -0.16 3.16 3.14 -0.90 -4.80 118.33 114.33 1gwp n VAL 59 Ca 0.07 -0.20 -0.08 0.00 -2.96 0.00 0.00 64.34 61.17 1gwp n VAL 59 Cb 0.04 -0.21 -0.03 0.00 -1.06 0.00 0.00 33.84 32.58 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 -1.32 -0.43 0.00 7.55 0.00 -1.87 -3.46 103.07 103.54 1gwp h GLY 60 Ca -0.44 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1gwp h GLY 60 CO 0.27 -0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1gwp n GLY 61 N -1.42 0.66 3.52 4.60 0.00 -1.26 -5.11 105.19 106.18 1gwp n GLY 61 Ca 0.01 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.08 3.19 0.47 1.61 3.76 -1.26 -4.93 115.29 118.05 1gwp s HIS 62 Ca 0.00 -0.16 0.16 0.00 -0.15 0.00 0.00 55.06 54.91 1gwp s HIS 62 Cb 0.00 -2.77 1.14 0.00 1.11 0.00 0.00 32.58 32.06 1gwp s HIS 62 CO 0.00 -0.54 2.03 0.37 -0.85 0.00 0.00 174.74 175.75 1gwp h GLN 63 N 8.57 0.25 0.02 1.40 4.15 -1.99 0.18 115.11 127.69 1gwp h GLN 63 Ca -0.28 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.12 1gwp h GLN 63 Cb 1.13 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1gwp h GLN 63 CO 0.74 0.16 -0.01 0.00 -1.93 0.00 0.00 178.83 177.79 1gwp h ALA 64 N 1.78 -0.02 0.43 3.38 0.00 -1.98 0.39 119.26 123.24 1gwp h ALA 64 Ca 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1gwp h ALA 64 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1gwp h ALA 64 CO -0.04 -0.33 -0.21 0.00 0.00 0.00 0.00 179.25 178.67 1gwp h ALA 65 N 0.59 -0.58 -0.69 0.00 0.00 -1.69 -1.27 119.26 115.61 1gwp h ALA 65 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1gwp h ALA 65 Cb 0.37 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1gwp h ALA 65 CO 0.00 -0.83 0.45 0.52 0.00 0.00 0.00 179.25 179.40 1gwp h MET 66 N -0.58 0.75 0.38 0.00 2.07 -0.70 -1.01 114.93 115.84 1gwp h MET 66 Ca -0.06 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.51 1gwp h MET 66 Cb 0.45 -0.17 -0.00 0.00 -1.87 0.00 0.00 31.60 30.01 1gwp h MET 66 CO 0.10 0.49 -0.23 0.37 1.07 0.00 0.00 176.91 178.71 1gwp h GLN 67 N 0.77 -0.56 -0.98 1.72 5.75 0.30 0.25 115.11 122.36 1gwp h GLN 67 Ca 0.28 0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.85 1gwp h GLN 67 Cb 0.16 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 1gwp h GLN 67 CO -0.09 -0.38 0.64 0.52 -2.65 0.00 0.00 178.83 176.88 1gwp h MET 68 N -0.59 1.24 -0.29 1.69 2.86 -0.78 -0.65 114.93 118.43 1gwp h MET 68 Ca -0.04 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1gwp h MET 68 Cb 0.48 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1gwp h MET 68 CO 0.05 0.82 -0.09 1.25 1.06 0.00 0.00 176.91 180.00 1gwp h LEU 69 N 1.28 0.45 -0.01 1.22 6.46 -0.83 -0.55 115.31 123.33 1gwp h LEU 69 Ca 0.37 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1gwp h LEU 69 Cb -0.08 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.73 1gwp h LEU 69 CO -0.10 0.58 0.00 0.50 -0.62 0.00 0.00 178.44 178.80 1gwp h LYS 70 N 0.44 0.02 -0.39 1.25 3.64 0.92 0.79 116.57 123.24 1gwp h LYS 70 Ca 0.09 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1gwp h LYS 70 Cb 0.43 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1gwp h LYS 70 CO 0.02 0.28 0.20 1.49 -2.27 0.00 0.00 179.45 179.17 1gwp h GLU 71 N -0.25 0.39 0.76 1.90 4.81 -0.92 -1.37 114.58 119.90 1gwp h GLU 71 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1gwp h GLU 71 Cb 0.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1gwp h GLU 71 CO 0.00 0.26 -0.41 1.15 -0.73 0.00 0.00 179.01 179.28 1gwp h THR 72 N 0.40 0.17 -0.79 0.32 2.02 -1.00 -0.24 112.91 113.79 1gwp h THR 72 Ca 0.16 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.50 1gwp h THR 72 Cb 0.06 0.17 -0.15 0.00 -1.74 0.00 0.00 68.15 66.49 1gwp h THR 72 CO -0.11 0.00 -0.24 0.40 0.37 0.00 0.00 175.52 175.95 1gwp h ILE 73 N -1.08 0.17 -0.79 3.11 1.08 -0.67 1.65 117.51 120.99 1gwp h ILE 73 Ca -0.10 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1gwp h ILE 73 Cb 0.84 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1gwp h ILE 73 CO 0.14 0.00 0.52 -1.13 -0.69 0.00 0.00 178.15 176.98 1gwp h ASN 74 N -0.02 0.78 0.69 1.72 -0.73 -0.96 -1.58 115.58 115.48 1gwp h ASN 74 Ca 0.36 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.50 1gwp h ASN 74 Cb 0.59 -0.17 0.01 0.00 0.27 0.00 0.00 38.32 39.01 1gwp h ASN 74 CO -0.83 0.52 -0.33 -0.08 -0.37 0.00 0.00 177.43 176.34 1gwp h GLU 75 N 0.90 -0.90 -0.86 6.67 4.57 0.41 -1.11 114.58 124.27 1gwp h GLU 75 Ca 0.33 0.06 0.22 0.00 -1.18 0.00 0.00 59.36 58.79 1gwp h GLU 75 Cb 0.15 0.20 -0.14 0.00 -0.16 0.00 0.00 28.75 28.81 1gwp h GLU 75 CO -0.11 -0.57 0.18 0.93 -1.18 0.00 0.00 179.01 178.26 1gwp h GLU 76 N -1.15 0.17 0.03 1.92 4.39 0.02 0.41 114.58 120.37 1gwp h GLU 76 Ca -0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1gwp h GLU 76 Cb 0.74 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1gwp h GLU 76 CO 0.16 0.12 -0.02 0.00 -1.16 0.00 0.00 179.01 178.11 1gwp h ALA 77 N 1.77 -0.04 -0.47 3.43 0.00 -1.19 0.53 119.26 123.29 1gwp h ALA 77 Ca 0.52 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.50 1gwp h ALA 77 Cb 1.03 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1gwp h ALA 77 CO -0.67 -0.52 0.05 0.00 0.00 0.00 0.00 179.25 178.12 1gwp h ALA 78 N 0.91 0.48 -0.39 0.00 0.00 0.95 0.19 119.26 121.41 1gwp h ALA 78 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gwp h ALA 78 Cb 0.05 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1gwp h ALA 78 CO 0.01 -0.35 0.25 0.93 0.00 0.00 0.00 179.25 180.09 1gwp h GLU 79 N 0.17 0.52 -0.44 0.00 5.08 -0.12 0.36 114.58 120.15 1gwp h GLU 79 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1gwp h GLU 79 Cb 0.33 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1gwp h GLU 79 CO -0.34 0.35 0.22 2.35 -1.00 0.00 0.00 179.01 180.59 1gwp h TRP 80 N 0.53 0.62 -0.37 4.33 2.91 0.16 0.40 115.95 124.53 1gwp h TRP 80 Ca 0.14 -0.02 -0.15 0.00 1.13 0.00 0.00 58.89 59.99 1gwp h TRP 80 Cb -0.05 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.40 1gwp h TRP 80 CO 0.00 0.49 -0.35 0.22 -1.03 0.00 0.00 178.44 177.78 1gwp h ASP 81 N 0.57 0.90 -0.50 2.65 3.58 0.13 -1.47 116.42 122.29 1gwp h ASP 81 Ca 0.15 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 1gwp h ASP 81 Cb 0.09 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1gwp h ASP 81 CO -0.02 1.16 0.29 0.03 -2.88 0.00 0.00 179.24 177.82 1gwp h ARG 82 N 0.71 0.68 0.00 0.28 3.08 0.19 -3.35 114.38 115.98 1gwp h ARG 82 Ca 0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gwp h ARG 82 Cb 0.92 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1gwp h ARG 82 CO 0.08 0.51 0.00 1.28 -1.07 0.00 0.00 179.97 180.77 1gwp n LEU 83 N -4.68 1.01 -4.62 3.04 4.77 0.13 -4.61 117.00 112.04 1gwp n LEU 83 Ca 0.02 0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 1gwp n LEU 83 Cb 0.06 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1gwp n LEU 83 CO 0.36 0.00 1.38 -1.00 -1.33 0.00 0.00 177.39 176.79 1gwp s HIS 84 N -0.48 2.11 -0.48 -1.77 3.76 -0.56 -4.93 115.29 112.93 1gwp s HIS 84 Ca 0.00 0.59 -0.28 0.00 -0.15 0.00 0.00 55.06 55.22 1gwp s HIS 84 Cb 0.00 -4.04 0.01 0.00 1.11 0.00 0.00 32.58 29.66 1gwp s HIS 84 CO 0.00 -2.77 1.45 -1.25 -0.85 0.00 0.00 174.74 171.32 1gwp s PRO 85 N 4.87 3.40 -0.38 8.40 0.04 -1.26 -4.44 135.00 145.63 1gwp s PRO 85 Ca 0.71 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 1gwp s PRO 85 Cb -0.23 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1gwp s PRO 85 CO 0.30 -1.79 0.46 0.08 0.04 0.00 0.00 177.00 176.09 1gwp s VAL 86 N 5.95 5.06 -0.98 -0.36 1.01 -1.26 -4.99 120.40 124.83 1gwp s VAL 86 Ca 0.59 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1gwp s VAL 86 Cb -0.13 -3.97 0.28 0.00 0.00 0.00 0.00 36.38 32.56 1gwp s VAL 86 CO 0.29 -0.28 1.18 1.57 0.00 0.00 0.00 175.10 177.86 1gwp n HIS 87 N 5.66 3.31 -1.01 5.22 -0.00 -1.26 -5.05 115.22 122.10 1gwp n HIS 87 Ca -0.06 -3.33 -0.30 0.00 0.46 0.00 0.00 57.72 54.48 1gwp n HIS 87 Cb 0.48 -1.18 0.15 0.00 -0.12 0.00 0.00 29.99 29.32 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 -2.28 1.44 0.00 1.57 0.00 -1.26 -4.46 121.76 116.77 1gwp s ALA 88 Ca 0.32 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1gwp s ALA 88 Cb 0.02 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1gwp s ALA 88 CO 0.02 -2.51 0.00 0.41 0.00 0.00 0.00 175.76 173.68 1gwp n GLY 89 N -0.57 2.70 2.42 0.00 0.00 -1.26 -4.97 105.19 103.51 1gwp n GLY 89 Ca 0.08 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 2.57 -3.96 1.61 -0.04 -1.26 -4.78 135.00 129.14 1gwp n PRO 90 Ca 0.00 -1.61 -0.09 0.00 -0.04 0.00 0.00 63.50 61.77 1gwp n PRO 90 Cb 0.00 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 30.88 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 2.64 0.15 0.55 0.52 2.07 -1.26 -5.16 121.20 120.71 1gwp s ILE 91 Ca 0.52 -1.22 -0.17 0.00 -1.41 0.00 0.00 60.65 58.37 1gwp s ILE 91 Cb 0.15 -0.97 -0.06 0.00 0.13 0.00 0.00 42.46 41.71 1gwp s ILE 91 CO -0.04 -0.67 1.02 0.00 -1.91 0.00 0.00 174.94 173.34 1gwp s ALA 92 N -2.81 2.89 -1.04 1.50 0.00 -1.26 -4.93 121.76 116.11 1gwp s ALA 92 Ca -0.03 0.34 -0.23 0.00 0.00 0.00 0.00 51.96 52.03 1gwp s ALA 92 Cb -0.00 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 1gwp s ALA 92 CO -0.06 -0.51 1.73 -1.25 0.00 0.00 0.00 175.76 175.68 1gwp s PRO 93 N -3.95 3.12 0.00 0.00 0.04 -1.26 -1.90 135.00 131.05 1gwp s PRO 93 Ca 0.62 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.71 1gwp s PRO 93 Cb -0.13 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1gwp s PRO 93 CO 0.32 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1gwp n GLY 94 N 6.53 0.28 3.74 0.56 0.00 -1.26 -5.12 105.19 109.91 1gwp n GLY 94 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 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 4.65 -0.15 1.61 -1.52 -0.80 -4.94 119.66 118.51 1gwp s GLN 95 Ca 0.00 1.65 -0.35 0.00 -1.95 0.00 0.00 55.36 54.71 1gwp s GLN 95 Cb 0.00 -3.29 -0.12 0.00 -0.22 0.00 0.00 33.01 29.38 1gwp s GLN 95 CO 0.00 0.16 1.91 -0.12 -0.25 0.00 0.00 175.29 176.99 1gwp n MET 96 N 2.25 1.92 -3.13 2.91 1.56 -1.26 -4.88 117.12 116.49 1gwp n MET 96 Ca 0.02 0.69 -0.18 0.00 -0.27 0.00 0.00 57.70 57.96 1gwp n MET 96 Cb 0.47 -2.58 0.00 0.00 2.15 0.00 0.00 33.22 33.26 1gwp n MET 96 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 1gwp s ARG 97 N 4.35 2.82 -0.50 2.12 3.52 -1.26 -5.07 118.95 124.92 1gwp s ARG 97 Ca 0.96 -1.25 0.07 0.00 -0.13 0.00 0.00 55.73 55.38 1gwp s ARG 97 Cb -0.75 -2.72 0.27 0.00 -1.56 0.00 0.00 34.95 30.20 1gwp s ARG 97 CO 0.53 -0.22 0.68 -0.85 -0.81 0.00 0.00 175.30 174.63 1gwp n GLU 98 N -1.79 1.72 -2.29 5.12 0.28 -1.26 -5.02 120.64 117.39 1gwp n GLU 98 Ca 0.07 -3.97 -0.36 0.00 -0.16 0.00 0.00 57.16 52.73 1gwp n GLU 98 Cb 0.59 -1.78 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 1gwp n GLU 98 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1gwp n PRO 99 N 0.86 2.41 -1.51 3.44 -0.04 -1.26 -4.88 135.00 134.01 1gwp n PRO 99 Ca 0.26 -2.86 -0.28 0.00 -0.04 0.00 0.00 63.50 60.58 1gwp n PRO 99 Cb 0.49 -3.60 -0.16 0.00 -0.04 0.00 0.00 33.50 30.19 1gwp n PRO 99 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1gwp n ARG 100 N 8.27 0.18 -0.32 0.54 3.00 -1.26 -3.32 116.66 123.75 1gwp n ARG 100 Ca 0.47 -0.12 0.00 0.00 -0.01 0.00 0.00 57.85 58.19 1gwp n ARG 100 Cb 0.46 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 31.13 1gwp n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gwp n GLY 101 N 6.05 -0.62 0.00 -0.13 0.00 -1.26 0.35 105.19 109.59 1gwp n GLY 101 Ca 0.61 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1gwp n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gwp n SER 102 N 0.00 0.00 0.08 1.61 7.64 -1.21 -4.67 113.62 117.08 1gwp n SER 102 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1gwp n SER 102 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1gwp n SER 102 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1gwp h ASP 103 N 0.00 0.29 -0.18 6.43 3.32 -1.96 -3.03 116.42 121.29 1gwp h ASP 103 Ca 0.00 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1gwp h ASP 103 Cb 0.00 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1gwp h ASP 103 CO 0.00 1.10 0.19 0.40 -1.72 0.00 0.00 179.24 179.21 1gwp h ILE 104 N 0.10 0.50 0.00 0.35 2.04 -1.91 0.77 117.51 119.35 1gwp h ILE 104 Ca -0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1gwp h ILE 104 Cb 1.64 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1gwp h ILE 104 CO 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 178.08 1gwp h ALA 105 N 1.79 1.00 0.00 1.87 0.00 -1.91 -3.44 119.26 118.56 1gwp h ALA 105 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gwp h ALA 105 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1gwp h ALA 105 CO -0.00 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1gwp n GLY 106 N 0.24 0.54 0.27 0.00 0.00 0.27 -4.90 105.19 101.62 1gwp n GLY 106 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 1.27 0.00 2.61 2.02 -1.76 -3.26 112.91 113.79 1gwp h THR 107 Ca 0.00 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 1gwp h THR 107 Cb 0.06 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1gwp h THR 107 CO 0.00 0.45 -1.68 0.41 0.37 0.00 0.00 175.52 175.07 1gwp n THR 108 N -4.12 0.07 -4.25 3.16 -1.04 -1.26 -5.00 114.28 101.84 1gwp n THR 108 Ca 0.00 -0.35 -0.23 0.00 -2.04 0.00 0.00 64.05 61.43 1gwp n THR 108 Cb 0.43 0.11 -0.07 0.00 -1.82 0.00 0.00 70.33 68.98 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 -3.73 4.46 0.15 8.00 1.04 -1.23 -5.10 113.70 117.29 1gwp s SER 109 Ca -0.05 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.59 1gwp s SER 109 Cb 0.09 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.51 1gwp s SER 109 CO 0.60 -0.16 0.08 0.35 0.98 0.00 0.00 173.24 175.09 1gwp n THR 110 N -0.98 0.00 0.23 2.02 -2.24 -1.26 -4.32 114.28 107.73 1gwp n THR 110 Ca -0.05 -0.61 -0.12 0.00 -2.27 0.00 0.00 64.05 61.00 1gwp n THR 110 Cb 0.61 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.86 -1.00 3.22 5.85 -1.99 -1.36 115.31 119.17 1gwp h LEU 111 Ca -0.10 0.06 0.32 0.00 0.84 0.00 0.00 57.88 59.00 1gwp h LEU 111 Cb 0.35 0.27 -0.18 0.00 0.37 0.00 0.00 40.66 41.46 1gwp h LEU 111 CO 0.16 -0.46 0.18 1.56 -0.34 0.00 0.00 178.44 179.54 1gwp h GLN 112 N -0.71 0.01 -0.54 1.25 4.20 -1.99 1.52 115.11 118.84 1gwp h GLN 112 Ca -0.05 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1gwp h GLN 112 Cb 0.60 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1gwp h GLN 112 CO 0.01 0.00 0.33 0.93 -0.67 0.00 0.00 178.83 179.43 1gwp h GLU 113 N 0.01 0.63 0.00 1.46 4.39 -1.80 -0.47 114.58 118.80 1gwp h GLU 113 Ca 0.68 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.29 1gwp h GLU 113 Cb 1.54 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 1gwp h GLU 113 CO -0.88 0.42 -0.21 -0.56 -1.16 0.00 0.00 179.01 176.61 1gwp h GLN 114 N 0.65 0.00 -0.16 2.33 -0.00 0.31 -1.66 115.11 116.58 1gwp h GLN 114 Ca 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.83 1gwp h GLN 114 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.50 1gwp h GLN 114 CO -0.10 0.21 -0.04 0.82 -0.00 0.00 0.00 178.83 179.73 1gwp h ILE 115 N 0.00 1.29 0.20 1.86 1.08 0.75 -0.67 117.51 122.01 1gwp h ILE 115 Ca -0.00 -0.99 -0.01 0.00 -0.39 0.00 0.00 64.86 63.47 1gwp h ILE 115 Cb 0.44 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 1gwp h ILE 115 CO 0.03 0.29 -0.09 1.23 -0.69 0.00 0.00 178.15 178.92 1gwp h GLY 116 N 0.01 -0.28 0.32 5.37 0.00 -0.86 0.33 103.07 107.97 1gwp h GLY 116 Ca 0.04 0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.58 1gwp h GLY 116 CO 0.02 -0.10 0.22 1.49 0.00 0.00 0.00 176.54 178.17 1gwp h TRP 117 N -0.37 0.38 -0.16 5.60 6.55 -1.33 1.55 115.95 128.18 1gwp h TRP 117 Ca -0.03 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 1gwp h TRP 117 Cb 0.29 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.50 1gwp h TRP 117 CO -0.03 0.07 0.00 1.98 -1.05 0.00 0.00 178.44 179.41 1gwp h MET 118 N 0.39 0.22 -0.43 0.49 4.05 -0.80 1.04 114.93 119.88 1gwp h MET 118 Ca 0.33 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.64 1gwp h MET 118 Cb 0.43 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.14 1gwp h MET 118 CO -0.34 0.24 0.06 2.41 0.23 0.00 0.00 176.91 179.51 1gwp n THR 119 N -4.41 2.55 -2.43 -0.77 -1.04 0.11 -4.33 114.28 103.97 1gwp n THR 119 Ca -0.01 -1.90 -0.24 0.00 -2.04 0.00 0.00 64.05 59.87 1gwp n THR 119 Cb 0.16 -0.29 0.07 0.00 -1.82 0.00 0.00 70.33 68.45 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 -2.93 2.55 -0.27 -1.42 5.04 0.49 -4.89 115.29 113.86 1gwp s HIS 120 Ca 0.47 0.12 0.01 0.00 -1.54 0.00 0.00 55.06 54.12 1gwp s HIS 120 Cb 0.39 -3.04 0.07 0.00 0.04 0.00 0.00 32.58 30.04 1gwp s HIS 120 CO 0.09 -1.34 -0.01 -0.80 -2.34 0.00 0.00 174.74 170.34 1gwp s ASN 121 N -4.55 4.10 0.72 9.88 -0.87 -1.26 0.19 114.94 123.15 1gwp s ASN 121 Ca 0.61 -1.46 -0.11 0.00 -1.57 0.00 0.00 52.86 50.33 1gwp s ASN 121 Cb -0.09 -1.25 0.02 0.00 -0.02 0.00 0.00 41.25 39.91 1gwp s ASN 121 CO 0.43 -0.29 1.07 -2.16 -2.57 0.00 0.00 177.10 173.58 1gwp s PRO 122 N 1.31 2.75 -0.22 -0.60 0.04 -1.26 -5.08 135.00 131.94 1gwp s PRO 122 Ca -0.00 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1gwp s PRO 122 Cb -0.19 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1gwp s PRO 122 CO -0.09 -1.21 1.31 -1.25 0.04 0.00 0.00 177.00 175.79 1gwp s PRO 123 N -5.07 4.09 -0.13 0.56 0.04 0.51 -4.96 135.00 130.04 1gwp s PRO 123 Ca 0.59 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1gwp s PRO 123 Cb -0.14 -3.83 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 1gwp s PRO 123 CO 0.55 -0.90 1.05 0.42 0.04 0.00 0.00 177.00 178.15 1gwp s ILE 124 N 3.94 4.68 0.00 0.56 1.09 0.35 -4.90 121.20 126.92 1gwp s ILE 124 Ca 0.57 1.97 -0.04 0.00 -1.10 0.00 0.00 60.65 62.04 1gwp s ILE 124 Cb -0.20 -4.27 -0.17 0.00 -1.06 0.00 0.00 42.46 36.76 1gwp s ILE 124 CO 0.19 -0.04 2.63 -0.81 -0.10 0.00 0.00 174.94 176.81 1gwp n PRO 125 N 5.35 1.38 -0.19 2.79 -0.04 -1.26 -3.06 135.00 139.97 1gwp n PRO 125 Ca 0.10 -0.63 0.23 0.00 -0.04 0.00 0.00 63.50 63.16 1gwp n PRO 125 Cb 0.48 -1.75 0.61 0.00 -0.04 0.00 0.00 33.50 32.79 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 2.09 0.63 0.00 0.52 3.04 -1.90 0.41 116.25 121.04 1gwp h VAL 126 Ca 0.12 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1gwp h VAL 126 Cb 1.08 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1gwp h VAL 126 CO 0.25 0.04 0.00 0.61 -1.01 0.00 0.00 177.57 177.46 1gwp n GLY 127 N -1.60 -1.22 0.40 3.17 0.00 -1.26 -1.50 105.19 103.18 1gwp n GLY 127 Ca 0.18 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.46 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 0.31 0.85 1.61 5.08 -1.73 0.12 114.58 120.81 1gwp h GLU 128 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1gwp h GLU 128 Cb 0.00 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1gwp h GLU 128 CO 0.00 0.20 -0.41 0.82 -1.00 0.00 0.00 179.01 178.62 1gwp h ILE 129 N 0.32 0.00 -0.99 3.13 2.04 -0.25 -0.93 117.51 120.82 1gwp h ILE 129 Ca 0.69 -0.05 0.21 0.00 1.00 0.00 0.00 64.86 66.71 1gwp h ILE 129 Cb 1.79 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.77 1gwp h ILE 129 CO -0.41 0.00 0.62 0.22 0.00 0.00 0.00 178.15 178.58 1gwp h TYR 130 N -1.20 0.89 -0.54 1.37 3.20 0.17 0.30 116.97 121.17 1gwp h TYR 130 Ca -0.12 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1gwp h TYR 130 Cb 0.88 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1gwp h TYR 130 CO 0.02 0.18 0.33 -0.22 -1.64 0.00 0.00 178.16 176.83 1gwp h LYS 131 N 0.62 0.73 -0.37 1.82 3.64 -0.60 0.25 116.57 122.66 1gwp h LYS 131 Ca 0.57 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.78 1gwp h LYS 131 Cb 1.08 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1gwp h LYS 131 CO -0.33 0.52 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.08 1gwp h ARG 132 N 0.73 0.70 0.43 1.90 9.65 0.87 -0.73 114.38 127.93 1gwp h ARG 132 Ca 0.19 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1gwp h ARG 132 Cb -0.03 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1gwp h ARG 132 CO -0.04 0.84 -0.21 -1.49 2.80 0.00 0.00 179.97 181.88 1gwp h TRP 133 N 0.62 -0.54 -0.76 2.20 4.06 -0.04 0.46 115.95 121.94 1gwp h TRP 133 Ca 0.09 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.19 1gwp h TRP 133 Cb 0.67 0.18 -0.14 0.00 -1.00 0.00 0.00 29.16 28.86 1gwp h TRP 133 CO 0.03 -0.33 -0.14 0.82 -3.56 0.00 0.00 178.44 175.25 1gwp h ILE 134 N -0.68 0.25 -0.47 1.49 2.04 -0.55 1.54 117.51 121.13 1gwp h ILE 134 Ca -0.06 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1gwp h ILE 134 Cb 0.44 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1gwp h ILE 134 CO 0.10 0.00 0.27 0.40 0.00 0.00 0.00 178.15 178.92 1gwp h ILE 135 N 0.02 1.14 -0.33 -0.67 5.03 -1.05 0.34 117.51 121.99 1gwp h ILE 135 Ca 0.38 -0.32 0.03 0.00 -0.12 0.00 0.00 64.86 64.84 1gwp h ILE 135 Cb 0.61 0.49 -0.03 0.00 -3.03 0.00 0.00 36.82 34.85 1gwp h ILE 135 CO -0.76 0.15 0.13 0.25 -0.68 0.00 0.00 178.15 177.23 1gwp h LEU 136 N 0.64 0.16 -0.02 1.44 6.46 0.70 0.93 115.31 125.62 1gwp h LEU 136 Ca 0.17 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1gwp h LEU 136 Cb -0.01 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1gwp h LEU 136 CO -0.03 0.13 -0.01 1.23 -0.62 0.00 0.00 178.44 179.14 1gwp h GLY 137 N 0.28 0.05 -0.08 3.75 0.00 -0.28 -1.33 103.07 105.46 1gwp h GLY 137 Ca 0.15 -0.04 0.13 0.00 0.00 0.00 0.00 47.33 47.57 1gwp h GLY 137 CO -0.14 0.04 0.02 1.41 0.00 0.00 0.00 176.54 177.87 1gwp h LEU 138 N -0.34 -0.25 -0.30 3.11 3.38 -0.70 0.62 115.31 120.82 1gwp h LEU 138 Ca 0.01 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1gwp h LEU 138 Cb 0.41 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1gwp h LEU 138 CO 0.00 -0.11 0.16 -1.13 0.09 0.00 0.00 178.44 177.45 1gwp h ASN 139 N 0.13 0.39 -0.69 -0.43 -0.73 -0.76 0.19 115.58 113.68 1gwp h ASN 139 Ca 0.34 -0.10 0.08 0.00 1.87 0.00 0.00 56.30 58.49 1gwp h ASN 139 Cb 0.55 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 39.00 1gwp h ASN 139 CO -0.54 0.37 0.46 0.50 -0.37 0.00 0.00 177.43 177.85 1gwp h LYS 140 N 0.37 0.61 0.04 6.67 3.11 0.43 0.21 116.57 128.02 1gwp h LYS 140 Ca 0.11 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1gwp h LYS 140 Cb 0.08 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.17 1gwp h LYS 140 CO -0.02 0.41 -0.02 0.82 -2.81 0.00 0.00 179.45 177.83 1gwp h ILE 141 N 0.63 1.30 -0.15 2.00 2.04 0.10 -2.29 117.51 121.15 1gwp h ILE 141 Ca 0.31 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 65.03 1gwp h ILE 141 Cb 0.38 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1gwp h ILE 141 CO -0.10 0.29 0.17 0.58 0.00 0.00 0.00 178.15 179.09 1gwp h VAL 142 N -0.58 0.47 -0.12 1.67 2.07 0.24 0.52 116.25 120.51 1gwp h VAL 142 Ca -0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1gwp h VAL 142 Cb 0.52 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1gwp h VAL 142 CO 0.01 0.00 -0.35 0.03 0.02 0.00 0.00 177.57 177.28 1gwp h ARG 143 N 0.00 0.44 0.00 1.57 3.08 -0.38 -0.59 114.38 118.50 1gwp h ARG 143 Ca 0.07 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1gwp h ARG 143 Cb 0.40 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1gwp h ARG 143 CO -0.00 0.94 0.00 0.00 -1.07 0.00 0.00 179.97 179.84 1gwp h MET 144 N 0.03 0.00 0.00 0.04 -0.00 -0.45 -3.30 114.93 111.25 1gwp h MET 144 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1gwp h MET 144 Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.57 1gwp h MET 144 CO 0.08 0.00 -0.05 -0.92 -0.00 0.00 0.00 176.91 176.01 1gwp h TYR 145 N 0.00 0.00 -6.45 -0.10 5.03 -0.01 -3.49 116.97 111.94 1gwp h TYR 145 Ca 0.00 0.00 -0.39 0.00 2.58 0.00 0.00 58.73 60.92 1gwp h TYR 145 Cb 0.89 0.00 0.02 0.00 1.55 0.00 0.00 36.73 39.19 1gwp h TYR 145 CO 0.00 0.82 -1.19 0.45 -1.32 0.00 0.00 178.16 176.92 1gwp n SER 146 N -4.64 -5.28 -4.80 -2.11 2.88 -0.24 -4.91 113.62 94.53 1gwp n SER 146 Ca -0.09 -0.19 -0.29 0.00 -1.33 0.00 0.00 58.87 56.97 1gwp n SER 146 Cb 0.40 -1.54 0.11 0.00 -0.75 0.00 0.00 64.21 62.42 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 -2.45 1.63 -0.36 -1.46 0.04 -1.26 -5.03 135.00 126.11 1gwp s PRO 147 Ca 0.37 0.47 0.05 0.00 0.04 0.00 0.00 61.00 61.93 1gwp s PRO 147 Cb -0.04 -1.88 0.31 0.00 0.04 0.00 0.00 34.50 32.93 1gwp s PRO 147 CO 0.85 -1.90 1.31 -2.37 0.04 0.00 0.00 177.00 174.94 1gwp n THR 148 N -3.59 0.00 0.00 1.26 5.66 -1.26 -5.09 114.28 111.26 1gwp n THR 148 Ca 0.07 -0.86 0.00 0.00 -3.05 0.00 0.00 64.05 60.20 1gwp n THR 148 Cb 0.58 1.13 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 -1.54 -3.05 0.00 0.00 175.07 170.48 1gwp n SER 149 N 0.35 0.00 -4.36 1.09 3.41 -1.26 -5.19 113.62 107.66 1gwp n SER 149 Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.31 1gwp n SER 149 Cb 0.74 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.60 1gwp n SER 149 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1gwp s ILE 150 N -2.00 0.97 -0.86 -1.33 -4.36 -1.26 -5.12 121.20 107.25 1gwp s ILE 150 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1gwp s ILE 150 Cb 0.00 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1gwp s ILE 150 CO 0.00 0.00 0.22 0.00 0.24 0.00 0.00 174.94 175.40