#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 4.51 0.16 0.52 -1.09 -1.26 -1.27 121.20 122.77 1gwp s ILE 2 Ca 0.00 -0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1gwp s ILE 2 Cb 0.00 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1gwp s ILE 2 CO 0.00 0.59 0.02 0.68 -1.23 0.00 0.00 174.94 175.01 1gwp s VAL 3 N -0.77 0.46 -0.21 2.92 -7.23 0.05 -4.93 120.40 110.68 1gwp s VAL 3 Ca 0.12 -1.95 -0.14 0.00 -1.81 0.00 0.00 61.98 58.20 1gwp s VAL 3 Cb -0.12 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1gwp s VAL 3 CO 0.02 -0.47 0.33 -1.58 -0.31 0.00 0.00 175.10 173.10 1gwp s GLN 4 N -3.97 4.15 1.06 4.82 0.74 -1.26 -1.47 119.66 123.73 1gwp s GLN 4 Ca 0.24 0.07 -0.18 0.00 0.05 0.00 0.00 55.36 55.54 1gwp s GLN 4 Cb 0.07 -3.54 0.08 0.00 1.10 0.00 0.00 33.01 30.72 1gwp s GLN 4 CO 0.03 -0.01 -0.13 0.09 -0.55 0.00 0.00 175.29 174.72 1gwp n ASN 5 N 4.41 -2.67 -0.03 6.67 3.02 0.51 -4.87 115.26 122.30 1gwp n ASN 5 Ca -0.10 -0.20 -0.14 0.00 -0.03 0.00 0.00 54.58 54.11 1gwp n ASN 5 Cb 0.51 -0.82 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 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 -2.12 0.14 0.32 3.41 4.07 -1.97 -3.35 115.31 115.81 1gwp h LEU 6 Ca -0.41 -0.68 -0.02 0.00 0.08 0.00 0.00 57.88 56.85 1gwp h LEU 6 Cb 1.16 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1gwp h LEU 6 CO 0.28 0.80 -0.15 1.56 -1.08 0.00 0.00 178.44 179.84 1gwp h GLN 7 N -0.51 -0.41 0.00 1.13 7.50 -2.05 -3.47 115.11 117.29 1gwp h GLN 7 Ca -0.01 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.17 1gwp h GLN 7 Cb 0.80 0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.42 1gwp h GLN 7 CO 0.02 -0.09 0.00 0.41 -1.50 0.00 0.00 178.83 177.67 1gwp n GLY 8 N -0.24 -0.65 3.58 3.46 0.00 -1.26 -5.17 105.19 104.90 1gwp n GLY 8 Ca -0.09 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 0.49 -0.02 1.61 -0.21 -1.26 -4.93 119.66 115.34 1gwp s GLN 9 Ca 0.00 1.07 -0.30 0.00 0.02 0.00 0.00 55.36 56.15 1gwp s GLN 9 Cb 0.00 0.46 -0.06 0.00 1.00 0.00 0.00 33.01 34.41 1gwp s GLN 9 CO 0.00 -0.14 1.64 -1.64 -2.12 0.00 0.00 175.29 173.03 1gwp s MET 10 N 2.24 4.19 0.04 2.91 -1.94 -1.26 -0.36 119.30 125.13 1gwp s MET 10 Ca -0.06 2.22 -0.14 0.00 -1.71 0.00 0.00 55.69 56.00 1gwp s MET 10 Cb -0.07 -3.87 0.02 0.00 2.01 0.00 0.00 34.83 32.91 1gwp s MET 10 CO -0.18 -0.80 0.30 0.14 -0.01 0.00 0.00 175.02 174.47 1gwp s VAL 11 N 3.61 0.08 0.66 -6.03 -7.23 -0.54 -4.94 120.40 106.02 1gwp s VAL 11 Ca 0.73 -0.69 -0.11 0.00 -1.81 0.00 0.00 61.98 60.11 1gwp s VAL 11 Cb -0.35 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 1gwp s VAL 11 CO 0.30 -0.38 1.05 -1.38 -0.31 0.00 0.00 175.10 174.39 1gwp s HIS 12 N -2.56 3.45 -0.28 2.82 -3.43 -1.26 -0.77 115.29 113.26 1gwp s HIS 12 Ca -0.05 1.12 0.15 0.00 -0.80 0.00 0.00 55.06 55.49 1gwp s HIS 12 Cb -0.01 -2.89 0.48 0.00 -1.43 0.00 0.00 32.58 28.73 1gwp s HIS 12 CO -0.03 -0.94 1.14 0.94 -2.00 0.00 0.00 174.74 173.84 1gwp n GLN 13 N -2.86 2.56 -0.20 -0.38 7.27 -0.40 -4.79 117.38 118.59 1gwp n GLN 13 Ca 0.06 -3.81 0.03 0.00 0.07 0.00 0.00 57.00 53.35 1gwp n GLN 13 Cb 0.56 -1.90 -0.01 0.00 2.41 0.00 0.00 30.24 31.30 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 -0.62 -0.97 -1.70 1.69 0.00 -1.26 -4.63 120.51 113.02 1gwp n ALA 14 Ca 0.24 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 1gwp n ALA 14 Cb 0.87 -0.29 0.11 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.16 0.00 -4.34 0.00 3.06 -1.26 -2.40 119.36 113.25 1gwp n ILE 15 Ca 0.00 -0.62 -0.22 0.00 -2.50 0.00 0.00 62.75 59.42 1gwp n ILE 15 Cb 0.09 -1.60 -0.13 0.00 0.54 0.00 0.00 39.64 38.54 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 -3.63 2.04 0.13 9.51 0.15 -1.26 -4.89 113.70 115.74 1gwp s SER 16 Ca 0.41 -0.57 -0.07 0.00 0.70 0.00 0.00 55.95 56.43 1gwp s SER 16 Cb -0.01 -0.12 -0.10 0.00 -1.71 0.00 0.00 66.02 64.08 1gwp s SER 16 CO 0.29 0.04 1.31 1.55 1.20 0.00 0.00 173.24 177.62 1gwp h PRO 17 N 4.54 0.52 -0.14 5.44 0.13 -1.99 -1.47 132.00 139.04 1gwp h PRO 17 Ca -0.42 -0.51 -0.10 0.00 -0.87 0.00 0.00 66.00 64.11 1gwp h PRO 17 Cb 1.18 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1gwp h PRO 17 CO 0.42 1.14 -0.35 0.00 -0.23 0.00 0.00 178.00 178.98 1gwp h ARG 18 N 0.32 0.30 -0.00 0.86 -0.00 -1.97 0.36 114.38 114.24 1gwp h ARG 18 Ca -0.07 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.98 59.27 1gwp h ARG 18 Cb 1.51 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.47 1gwp h ARG 18 CO 0.16 0.62 -0.03 1.15 0.00 0.00 0.00 179.97 181.87 1gwp h THR 19 N 0.26 1.58 -0.70 2.04 2.02 -1.97 -1.32 112.91 114.81 1gwp h THR 19 Ca 0.03 -1.74 -0.06 0.00 0.77 0.00 0.00 66.41 65.40 1gwp h THR 19 Cb 0.75 2.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.88 1gwp h THR 19 CO 0.06 0.46 0.19 -0.07 0.37 0.00 0.00 175.52 176.53 1gwp h LEU 20 N -0.70 1.04 0.64 2.58 3.38 -1.22 0.22 115.31 121.25 1gwp h LEU 20 Ca -0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1gwp h LEU 20 Cb 0.76 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1gwp h LEU 20 CO 0.01 0.99 -0.31 -1.13 0.09 0.00 0.00 178.44 178.09 1gwp h ASN 21 N 1.04 -0.72 -0.58 -0.43 -1.24 -0.33 0.29 115.58 113.60 1gwp h ASN 21 Ca 0.22 0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.31 1gwp h ASN 21 Cb 0.34 0.19 -0.06 0.00 0.73 0.00 0.00 38.32 39.52 1gwp h ASN 21 CO -0.00 -0.50 0.28 0.00 -1.29 0.00 0.00 177.43 175.92 1gwp h ALA 22 N -0.52 0.76 0.41 1.57 0.00 -1.11 -0.33 119.26 120.05 1gwp h ALA 22 Ca -0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1gwp h ALA 22 Cb 0.66 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1gwp h ALA 22 CO 0.14 -0.09 -0.49 2.35 0.00 0.00 0.00 179.25 181.16 1gwp h TRP 23 N 0.52 -1.38 -0.97 0.00 2.91 -0.28 0.66 115.95 117.41 1gwp h TRP 23 Ca 0.27 0.02 0.30 0.00 1.13 0.00 0.00 58.89 60.61 1gwp h TRP 23 Cb 0.23 0.55 -0.15 0.00 -0.51 0.00 0.00 29.16 29.28 1gwp h TRP 23 CO -0.12 -0.63 0.49 0.28 -1.03 0.00 0.00 178.44 177.43 1gwp h VAL 24 N -0.92 0.31 -0.49 2.65 2.07 0.12 1.60 116.25 121.59 1gwp h VAL 24 Ca -0.05 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1gwp h VAL 24 Cb 0.82 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1gwp h VAL 24 CO -0.10 0.06 -0.14 0.11 0.02 0.00 0.00 177.57 177.51 1gwp h LYS 25 N 0.31 0.93 0.69 1.57 1.57 0.60 0.43 116.57 122.67 1gwp h LYS 25 Ca 0.69 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1gwp h LYS 25 Cb 1.52 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.78 1gwp h LYS 25 CO -0.61 1.01 -0.33 0.28 -0.57 0.00 0.00 179.45 179.22 1gwp h VAL 26 N 0.83 0.28 -0.92 0.50 2.07 0.80 0.84 116.25 120.64 1gwp h VAL 26 Ca 0.13 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1gwp h VAL 26 Cb 0.69 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1gwp h VAL 26 CO 0.05 0.01 0.60 0.58 0.02 0.00 0.00 177.57 178.84 1gwp h VAL 27 N -1.01 1.24 -0.65 2.57 2.07 -0.44 0.34 116.25 120.37 1gwp h VAL 27 Ca -0.09 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1gwp h VAL 27 Cb 0.73 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1gwp h VAL 27 CO 0.16 0.24 0.43 -0.33 0.02 0.00 0.00 177.57 178.08 1gwp h GLU 28 N 1.26 0.75 0.01 1.57 5.08 0.12 1.65 114.58 125.01 1gwp h GLU 28 Ca 0.34 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1gwp h GLU 28 Cb -0.13 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 28.95 1gwp h GLU 28 CO -0.07 0.49 -0.00 0.93 -1.00 0.00 0.00 179.01 179.36 1gwp h GLU 29 N 0.77 -0.01 0.00 2.33 3.07 0.52 -3.43 114.58 117.83 1gwp h GLU 29 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1gwp h GLU 29 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1gwp h GLU 29 CO -0.07 0.81 0.00 1.63 -1.40 0.00 0.00 179.01 179.98 1gwp n LYS 30 N -4.66 0.00 -1.09 2.33 5.02 0.11 -5.10 118.16 114.77 1gwp n LYS 30 Ca -0.09 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1gwp n LYS 30 Cb 0.40 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gwp n ALA 31 N -1.96 -2.18 -3.37 7.82 0.00 0.56 -4.80 120.51 116.59 1gwp n ALA 31 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1gwp n ALA 31 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.72 -4.44 0.00 3.01 -1.26 -5.02 117.46 107.14 1gwp n PHE 32 Ca 0.00 1.10 -0.22 0.00 1.01 0.00 0.00 57.45 59.34 1gwp n PHE 32 Cb 0.00 -3.04 -0.09 0.00 -0.01 0.00 0.00 39.48 36.34 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 -2.48 2.23 0.00 4.37 1.04 -1.26 -4.91 113.70 112.69 1gwp s SER 33 Ca 0.16 -1.55 0.24 0.00 0.48 0.00 0.00 55.95 55.28 1gwp s SER 33 Cb -0.03 0.30 1.41 0.00 0.10 0.00 0.00 66.02 67.80 1gwp s SER 33 CO 0.84 -0.82 1.79 -0.81 0.98 0.00 0.00 173.24 175.21 1gwp n PRO 34 N -0.73 0.72 -0.05 4.02 -0.04 -1.26 -1.95 135.00 135.70 1gwp n PRO 34 Ca -0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1gwp n PRO 34 Cb 0.65 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1gwp n PRO 34 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gwp n GLU 35 N -1.01 1.26 -0.01 0.54 0.00 -1.26 -4.38 120.64 115.78 1gwp n GLU 35 Ca 0.18 -1.44 0.04 0.00 0.00 0.00 0.00 57.16 55.94 1gwp n GLU 35 Cb 0.09 -1.23 -0.07 0.00 0.00 0.00 0.00 31.44 30.22 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 0.61 0.03 -0.19 6.31 3.14 -0.82 -4.11 118.33 123.30 1gwp n VAL 36 Ca 0.08 -0.22 -0.09 0.00 -2.96 0.00 0.00 64.34 61.15 1gwp n VAL 36 Cb 0.33 0.23 0.01 0.00 -1.06 0.00 0.00 33.84 33.35 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 1.26 -0.04 1.55 1.08 -1.72 0.08 117.51 119.72 1gwp h ILE 37 Ca -0.01 -1.02 -0.22 0.00 -0.39 0.00 0.00 64.86 63.22 1gwp h ILE 37 Cb 0.48 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1gwp h ILE 37 CO 0.00 0.36 -0.87 1.55 -0.69 0.00 0.00 178.15 178.50 1gwp h PRO 38 N 0.78 0.46 -0.28 2.37 0.13 -1.79 -1.93 132.00 131.74 1gwp h PRO 38 Ca 0.16 -0.45 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1gwp h PRO 38 Cb 0.46 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 1gwp h PRO 38 CO 0.02 1.09 -0.17 0.52 -0.23 0.00 0.00 178.00 179.23 1gwp h MET 39 N 0.28 0.49 -0.00 0.86 2.86 -1.68 -1.37 114.93 116.38 1gwp h MET 39 Ca -0.07 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.28 1gwp h MET 39 Cb 1.49 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.12 1gwp h MET 39 CO 0.15 0.64 -0.53 0.35 1.06 0.00 0.00 176.91 178.59 1gwp h PHE 40 N 0.45 0.54 -0.82 -0.22 3.57 -0.96 -1.29 116.94 118.21 1gwp h PHE 40 Ca 0.08 -0.29 0.04 0.00 3.53 0.00 0.00 57.97 61.32 1gwp h PHE 40 Cb 0.55 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1gwp h PHE 40 CO 0.02 1.11 0.52 0.66 -2.23 0.00 0.00 178.31 178.38 1gwp h SER 41 N -0.18 0.84 -0.08 0.41 4.64 -1.25 0.42 113.55 118.35 1gwp h SER 41 Ca -0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1gwp h SER 41 Cb 1.25 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1gwp h SER 41 CO 0.11 0.57 -0.05 0.00 -0.87 0.00 0.00 176.83 176.59 1gwp h ALA 42 N 1.35 0.12 0.00 5.18 0.00 -1.30 -2.47 119.26 122.14 1gwp h ALA 42 Ca 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gwp h ALA 42 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1gwp h ALA 42 CO -0.13 -0.11 -0.01 -0.07 0.00 0.00 0.00 179.25 178.93 1gwp h LEU 43 N -0.21 0.00 -3.85 0.00 4.07 -0.72 -0.24 115.31 114.37 1gwp h LEU 43 Ca 0.02 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.40 1gwp h LEU 43 Cb 0.51 0.00 -0.32 0.00 1.08 0.00 0.00 40.66 41.93 1gwp h LEU 43 CO 0.01 0.01 0.18 -1.54 -1.08 0.00 0.00 178.44 176.02 1gwp n SER 44 N -3.35 5.96 -0.19 -0.43 3.41 0.14 -4.74 113.62 114.42 1gwp n SER 44 Ca -0.03 -3.77 -0.01 0.00 -0.26 0.00 0.00 58.87 54.80 1gwp n SER 44 Cb 0.10 -0.72 0.06 0.00 -0.26 0.00 0.00 64.21 63.39 1gwp n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gwp h GLU 45 N 1.89 0.01 -0.10 4.33 5.08 -0.72 -3.35 114.58 121.73 1gwp h GLU 45 Ca 0.49 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.63 1gwp h GLU 45 Cb 1.28 -0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.34 1gwp h GLU 45 CO 1.15 0.01 -0.43 0.41 -1.00 0.00 0.00 179.01 179.16 1gwp n GLY 46 N -1.39 1.52 3.84 -3.84 0.00 -1.26 -4.30 105.19 99.75 1gwp n GLY 46 Ca 0.06 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.22 2.81 0.88 4.61 0.00 -1.26 -4.04 121.76 124.54 1gwp s ALA 47 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1gwp s ALA 47 Cb 0.41 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1gwp s ALA 47 CO -0.09 -1.06 0.20 0.25 0.00 0.00 0.00 175.76 175.06 1gwp n THR 48 N -3.01 0.00 0.04 0.00 -2.24 -1.26 -4.59 114.28 103.22 1gwp n THR 48 Ca 0.07 -0.18 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1gwp n THR 48 Cb 0.54 -1.79 -0.05 0.00 -2.10 0.00 0.00 70.33 66.93 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 0.55 -0.04 -0.78 0.13 -1.95 -1.42 132.00 128.49 1gwp h PRO 49 Ca -0.07 -0.53 -0.13 0.00 -0.87 0.00 0.00 66.00 64.41 1gwp h PRO 49 Cb 0.19 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1gwp h PRO 49 CO 0.05 1.16 -0.58 1.96 -0.23 0.00 0.00 178.00 180.36 1gwp h GLN 50 N 0.33 0.11 0.35 0.86 4.20 -1.97 0.21 115.11 119.21 1gwp h GLN 50 Ca -0.08 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1gwp h GLN 50 Cb 1.52 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1gwp h GLN 50 CO 0.16 0.66 -0.17 0.22 -0.67 0.00 0.00 178.83 179.03 1gwp h ASP 51 N 0.08 -0.39 -0.44 1.46 1.82 -1.92 -0.56 116.42 116.48 1gwp h ASP 51 Ca -0.00 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.68 1gwp h ASP 51 Cb 1.04 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 1gwp h ASP 51 CO 0.08 0.04 0.29 -0.07 -1.61 0.00 0.00 179.24 177.98 1gwp h LEU 52 N -1.11 0.40 -0.41 2.28 3.38 -1.32 0.18 115.31 118.71 1gwp h LEU 52 Ca -0.05 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1gwp h LEU 52 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1gwp h LEU 52 CO 0.08 0.27 0.00 -1.13 0.09 0.00 0.00 178.44 177.75 1gwp h ASN 53 N 0.46 0.70 -0.45 -0.43 -0.73 -0.60 -0.86 115.58 113.67 1gwp h ASN 53 Ca 0.18 -0.31 -0.07 0.00 1.87 0.00 0.00 56.30 57.97 1gwp h ASN 53 Cb 0.14 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 1gwp h ASN 53 CO -0.04 0.84 -0.00 0.74 -0.37 0.00 0.00 177.43 178.59 1gwp h THR 54 N 0.55 1.26 -0.71 -3.57 2.02 0.39 0.11 112.91 112.96 1gwp h THR 54 Ca 0.12 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.26 1gwp h THR 54 Cb 0.48 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1gwp h THR 54 CO 0.02 0.36 0.47 0.24 0.37 0.00 0.00 175.52 176.98 1gwp h MET 55 N 0.64 0.93 -0.46 6.66 2.86 -0.56 0.42 114.93 125.42 1gwp h MET 55 Ca 0.13 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 1gwp h MET 55 Cb 0.50 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1gwp h MET 55 CO 0.02 0.61 -0.25 -0.07 1.06 0.00 0.00 176.91 178.29 1gwp h LEU 56 N 0.96 1.00 -1.49 1.22 3.38 -1.00 -2.08 115.31 117.29 1gwp h LEU 56 Ca 0.26 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1gwp h LEU 56 Cb -0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.36 1gwp h LEU 56 CO -0.06 1.18 -0.13 0.78 0.09 0.00 0.00 178.44 180.30 1gwp h ASN 57 N 0.82 0.00 0.82 -0.43 2.35 -0.34 -2.21 115.58 116.61 1gwp h ASN 57 Ca 0.10 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.67 1gwp h ASN 57 Cb 0.83 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1gwp h ASN 57 CO 0.07 0.13 -0.85 0.74 -1.65 0.00 0.00 177.43 175.88 1gwp h THR 58 N 0.00 1.60 -1.75 2.81 2.02 0.43 -3.45 112.91 114.56 1gwp h THR 58 Ca -0.00 -2.88 -0.51 0.00 0.77 0.00 0.00 66.41 63.79 1gwp h THR 58 Cb 0.55 2.56 0.25 0.00 -1.74 0.00 0.00 68.15 69.76 1gwp h THR 58 CO 0.02 0.82 -2.01 0.55 0.37 0.00 0.00 175.52 175.27 1gwp n VAL 59 N -3.54 0.00 -0.27 3.16 3.14 -0.83 -4.66 118.33 115.32 1gwp n VAL 59 Ca -0.01 -0.23 0.13 0.00 -2.96 0.00 0.00 64.34 61.28 1gwp n VAL 59 Cb 0.81 -0.14 0.26 0.00 -1.06 0.00 0.00 33.84 33.70 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 3.10 -1.02 0.00 7.55 0.00 -1.26 -4.79 105.19 108.77 1gwp n GLY 60 Ca -0.01 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -1.38 0.71 3.63 -0.02 0.00 -1.26 -5.10 105.19 101.76 1gwp n GLY 61 Ca 0.20 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.42 3.25 0.46 1.61 3.76 -1.26 -4.97 115.29 116.72 1gwp s HIS 62 Ca 0.00 0.06 0.12 0.00 -0.15 0.00 0.00 55.06 55.10 1gwp s HIS 62 Cb 0.00 -2.13 1.05 0.00 1.11 0.00 0.00 32.58 32.61 1gwp s HIS 62 CO 0.00 0.10 2.07 0.37 -0.85 0.00 0.00 174.74 176.43 1gwp h GLN 63 N 6.99 0.20 0.01 1.40 4.15 -1.99 0.22 115.11 126.09 1gwp h GLN 63 Ca -0.37 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 1gwp h GLN 63 Cb 1.17 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1gwp h GLN 63 CO 0.69 0.18 -0.00 0.00 -1.93 0.00 0.00 178.83 177.76 1gwp h ALA 64 N 1.85 -0.01 0.40 3.38 0.00 -1.97 0.39 119.26 123.30 1gwp h ALA 64 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1gwp h ALA 64 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1gwp h ALA 64 CO -0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 179.25 178.77 1gwp h ALA 65 N 0.41 -0.63 -0.46 0.00 0.00 -1.85 -1.35 119.26 115.38 1gwp h ALA 65 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1gwp h ALA 65 Cb 0.57 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1gwp h ALA 65 CO 0.00 -0.87 0.19 0.52 0.00 0.00 0.00 179.25 179.09 1gwp h MET 66 N -0.63 0.65 0.27 0.00 2.07 -0.65 -0.53 114.93 116.09 1gwp h MET 66 Ca -0.04 -0.08 0.01 0.00 -2.07 0.00 0.00 59.70 57.51 1gwp h MET 66 Cb 0.53 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.11 1gwp h MET 66 CO 0.04 0.53 -0.33 0.37 1.07 0.00 0.00 176.91 178.59 1gwp h GLN 67 N 0.65 -0.62 -0.09 1.72 -0.00 0.33 0.14 115.11 117.23 1gwp h GLN 67 Ca 0.16 0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.78 1gwp h GLN 67 Cb 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 1gwp h GLN 67 CO -0.02 -0.42 -0.28 0.52 0.00 0.00 0.00 178.83 178.63 1gwp h MET 68 N -0.65 0.16 -0.57 1.69 2.86 -1.04 -1.30 114.93 116.09 1gwp h MET 68 Ca -0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1gwp h MET 68 Cb 0.61 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1gwp h MET 68 CO -0.10 0.43 0.30 1.25 1.06 0.00 0.00 176.91 179.85 1gwp h LEU 69 N 0.14 0.72 -0.10 1.22 7.12 -0.40 0.15 115.31 124.15 1gwp h LEU 69 Ca 0.02 -0.10 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 1gwp h LEU 69 Cb 0.58 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1gwp h LEU 69 CO 0.04 0.62 -0.05 0.11 -0.13 0.00 0.00 178.44 179.02 1gwp h LYS 70 N 0.76 0.22 -0.51 1.25 1.57 -0.39 -1.57 116.57 117.90 1gwp h LYS 70 Ca 0.20 -0.10 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1gwp h LYS 70 Cb 0.07 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1gwp h LYS 70 CO -0.03 0.58 0.09 1.49 -0.57 0.00 0.00 179.45 181.01 1gwp h GLU 71 N -0.14 0.22 1.00 3.15 4.81 -0.99 0.13 114.58 122.76 1gwp h GLU 71 Ca 0.02 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1gwp h GLU 71 Cb 0.51 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1gwp h GLU 71 CO 0.02 0.14 -0.49 1.15 -0.73 0.00 0.00 179.01 179.10 1gwp h THR 72 N 0.22 0.00 -0.71 0.32 2.02 -0.65 0.44 112.91 114.54 1gwp h THR 72 Ca 0.26 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.58 1gwp h THR 72 Cb 0.36 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.64 1gwp h THR 72 CO -0.35 0.00 -0.23 0.40 0.37 0.00 0.00 175.52 175.71 1gwp h ILE 73 N -1.35 0.23 -0.63 3.11 1.08 -0.92 1.47 117.51 120.48 1gwp h ILE 73 Ca -0.14 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.40 1gwp h ILE 73 Cb 1.04 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 1gwp h ILE 73 CO 0.22 0.00 0.42 -1.13 -0.69 0.00 0.00 178.15 176.97 1gwp h ASN 74 N -0.04 0.53 0.24 1.72 -0.73 -0.56 -1.39 115.58 115.35 1gwp h ASN 74 Ca 0.33 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.49 1gwp h ASN 74 Cb 0.55 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.03 1gwp h ASN 74 CO -0.75 0.34 -0.12 -0.08 -0.37 0.00 0.00 177.43 176.46 1gwp h GLU 75 N 0.60 -0.31 -0.75 6.67 4.81 0.42 -1.31 114.58 124.71 1gwp h GLU 75 Ca 0.28 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.65 1gwp h GLU 75 Cb 0.31 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 1gwp h GLU 75 CO -0.08 -0.09 0.35 0.93 -0.73 0.00 0.00 179.01 179.38 1gwp h GLU 76 N -0.49 0.53 -0.16 1.92 3.07 -0.05 -0.18 114.58 119.22 1gwp h GLU 76 Ca -0.03 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1gwp h GLU 76 Cb 0.37 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1gwp h GLU 76 CO 0.05 0.35 0.03 0.00 -1.40 0.00 0.00 179.01 178.05 1gwp h ALA 77 N 1.49 0.16 -0.46 3.43 0.00 -1.10 0.79 119.26 123.57 1gwp h ALA 77 Ca 0.39 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.41 1gwp h ALA 77 Cb 0.50 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1gwp h ALA 77 CO -0.33 -0.41 0.03 0.00 0.00 0.00 0.00 179.25 178.54 1gwp h ALA 78 N 1.11 0.45 -0.14 0.00 0.00 0.05 0.25 119.26 120.98 1gwp h ALA 78 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1gwp h ALA 78 Cb 0.06 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1gwp h ALA 78 CO -0.09 -0.37 0.03 1.49 0.00 0.00 0.00 179.25 180.32 1gwp h GLU 79 N 0.15 0.19 -0.60 0.00 4.81 -0.44 0.34 114.58 119.02 1gwp h GLU 79 Ca 0.23 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1gwp h GLU 79 Cb 0.32 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1gwp h GLU 79 CO -0.35 0.19 0.17 2.35 -0.73 0.00 0.00 179.01 180.64 1gwp h TRP 80 N 0.20 0.99 -0.08 0.92 2.91 0.19 0.48 115.95 121.55 1gwp h TRP 80 Ca 0.05 -0.11 -0.05 0.00 1.13 0.00 0.00 58.89 59.91 1gwp h TRP 80 Cb 0.08 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.45 1gwp h TRP 80 CO 0.00 0.82 -0.16 0.22 -1.03 0.00 0.00 178.44 178.29 1gwp h ASP 81 N 0.87 0.27 -0.42 2.65 1.82 0.24 -0.73 116.42 121.11 1gwp h ASP 81 Ca 0.19 -0.57 0.05 0.00 -0.39 0.00 0.00 57.03 56.31 1gwp h ASP 81 Cb 0.31 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 1gwp h ASP 81 CO -0.00 0.79 0.17 -0.09 -1.61 0.00 0.00 179.24 178.50 1gwp h ARG 82 N -0.23 0.34 0.00 0.28 2.43 -0.20 -2.41 114.38 114.58 1gwp h ARG 82 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1gwp h ARG 82 Cb 0.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1gwp h ARG 82 CO 0.04 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 180.00 1gwp n LEU 83 N -4.98 0.48 -4.03 3.80 4.77 0.17 -4.71 117.00 112.49 1gwp n LEU 83 Ca 0.03 0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.74 1gwp n LEU 83 Cb 0.14 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 1gwp n LEU 83 CO 0.27 0.00 -0.05 -1.38 -1.33 0.00 0.00 177.39 174.90 1gwp s HIS 84 N -0.13 3.31 0.00 -1.77 -3.43 -0.29 -5.06 115.29 107.92 1gwp s HIS 84 Ca 0.00 -2.92 0.00 0.00 -0.80 0.00 0.00 55.06 51.34 1gwp s HIS 84 Cb 0.00 -3.04 0.00 0.00 -1.43 0.00 0.00 32.58 28.11 1gwp s HIS 84 CO 0.00 -0.80 0.00 -0.35 -2.00 0.00 0.00 174.74 171.59 1gwp n PRO 85 N 3.29 -0.06 -2.70 -0.38 -0.04 -0.91 -4.46 135.00 129.75 1gwp n PRO 85 Ca 0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1gwp n PRO 85 Cb 0.35 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.79 1gwp n PRO 85 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1gwp s VAL 86 N -0.71 4.26 -0.07 0.52 0.11 -1.25 -4.80 120.40 118.45 1gwp s VAL 86 Ca 0.00 -1.30 -0.31 0.00 -2.93 0.00 0.00 61.98 57.44 1gwp s VAL 86 Cb 0.00 -4.99 0.11 0.00 -1.53 0.00 0.00 36.38 29.97 1gwp s VAL 86 CO 0.00 -1.81 1.37 -1.38 -3.33 0.00 0.00 175.10 169.95 1gwp s HIS 87 N 3.97 0.00 -0.60 1.54 -3.43 -1.26 -5.02 115.29 110.48 1gwp s HIS 87 Ca 0.43 -0.04 -0.12 0.00 -0.80 0.00 0.00 55.06 54.53 1gwp s HIS 87 Cb -0.01 0.52 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1gwp s HIS 87 CO -0.07 -0.09 0.64 0.00 -2.00 0.00 0.00 174.74 173.23 1gwp n ALA 88 N -0.80 -2.69 0.00 -1.38 0.00 -1.26 -5.02 120.51 109.37 1gwp n ALA 88 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1gwp n ALA 88 Cb 0.60 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 -0.99 -0.39 3.57 0.00 0.00 -1.26 -5.09 105.19 101.03 1gwp n GLY 89 Ca -0.03 0.81 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 1gwp n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gwp s PRO 90 N 0.00 3.15 0.46 1.61 0.04 -1.26 -4.96 135.00 134.04 1gwp s PRO 90 Ca 0.00 -1.00 -0.21 0.00 0.04 0.00 0.00 61.00 59.83 1gwp s PRO 90 Cb 0.00 -5.27 -0.09 0.00 0.04 0.00 0.00 34.50 29.17 1gwp s PRO 90 CO 0.00 -2.87 1.01 0.42 0.04 0.00 0.00 177.00 175.60 1gwp s ILE 91 N 7.44 4.00 0.70 0.56 1.01 -1.26 -5.02 121.20 128.64 1gwp s ILE 91 Ca 0.59 1.27 -0.15 0.00 0.00 0.00 0.00 60.65 62.35 1gwp s ILE 91 Cb -0.02 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1gwp s ILE 91 CO -0.01 -0.25 1.16 0.00 0.00 0.00 0.00 174.94 175.84 1gwp s ALA 92 N -2.03 2.27 -1.07 9.38 0.00 -1.26 -4.88 121.76 124.17 1gwp s ALA 92 Ca 0.65 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 1gwp s ALA 92 Cb -0.14 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 1gwp s ALA 92 CO 0.18 -1.61 1.74 -1.25 0.00 0.00 0.00 175.76 174.82 1gwp s PRO 93 N -4.00 3.15 0.00 0.00 0.04 -1.26 -1.89 135.00 131.04 1gwp s PRO 93 Ca 0.71 -1.04 0.00 0.00 0.04 0.00 0.00 61.00 60.71 1gwp s PRO 93 Cb -0.25 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.01 1gwp s PRO 93 CO 0.44 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.98 1gwp n GLY 94 N 6.41 0.22 3.88 0.56 0.00 -1.26 -5.13 105.19 109.86 1gwp n GLY 94 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 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 3.70 1.01 1.61 -1.52 -0.79 -5.06 119.66 118.61 1gwp s GLN 95 Ca 0.00 0.07 -0.21 0.00 -1.95 0.00 0.00 55.36 53.27 1gwp s GLN 95 Cb 0.00 -2.96 -0.13 0.00 -0.22 0.00 0.00 33.01 29.70 1gwp s GLN 95 CO 0.00 0.54 -0.94 0.00 -0.25 0.00 0.00 175.29 174.64 1gwp n MET 96 N 0.69 -0.19 -2.68 2.91 0.00 -1.26 -4.73 117.12 111.86 1gwp n MET 96 Ca -0.07 -0.05 -0.19 0.00 0.00 0.00 0.00 57.70 57.39 1gwp n MET 96 Cb 0.52 -1.14 0.08 0.00 0.00 0.00 0.00 33.22 32.68 1gwp n MET 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1gwp n ARG 97 N 1.68 0.38 -3.82 3.17 0.00 -1.26 -4.84 116.66 111.98 1gwp n ARG 97 Ca -0.01 -2.76 -0.31 0.00 -0.00 0.00 0.00 57.85 54.77 1gwp n ARG 97 Cb 0.65 -0.36 -0.10 0.00 0.00 0.00 0.00 32.46 32.64 1gwp n ARG 97 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1gwp s GLU 98 N -4.61 2.74 0.65 -0.14 2.12 -1.26 -5.08 118.70 113.11 1gwp s GLU 98 Ca 0.58 -3.33 -0.13 0.00 0.36 0.00 0.00 54.97 52.45 1gwp s GLU 98 Cb -0.04 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1gwp s GLU 98 CO 0.38 -1.28 1.06 -1.25 -0.54 0.00 0.00 175.26 173.62 1gwp s PRO 99 N -1.43 3.13 0.00 4.30 0.04 -1.26 -3.95 135.00 135.82 1gwp s PRO 99 Ca 0.26 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1gwp s PRO 99 Cb -0.05 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1gwp s PRO 99 CO -0.15 -0.95 0.00 0.54 0.04 0.00 0.00 177.00 176.47 1gwp n ARG 100 N -2.66 2.37 0.15 4.56 3.00 -1.26 -4.77 116.66 118.05 1gwp n ARG 100 Ca 0.08 0.00 0.03 0.00 -0.01 0.00 0.00 57.85 57.95 1gwp n ARG 100 Cb 0.53 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.05 1gwp n ARG 100 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1gwp h GLY 101 N 0.00 0.00 0.98 -0.13 0.00 -1.86 -3.19 103.07 98.87 1gwp h GLY 101 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1gwp h GLY 101 CO 0.00 0.00 0.40 0.23 0.00 0.00 0.00 176.54 177.17 1gwp h SER 102 N 0.00 0.00 -0.12 0.19 0.87 -1.89 0.31 113.55 112.91 1gwp h SER 102 Ca -0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 1gwp h SER 102 Cb 1.33 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1gwp h SER 102 CO 0.06 0.00 -0.54 -0.78 -0.53 0.00 0.00 176.83 175.04 1gwp h ASP 103 N 0.00 0.69 0.37 6.23 3.58 -1.85 -2.47 116.42 122.96 1gwp h ASP 103 Ca 0.19 -0.63 -0.00 0.00 0.42 0.00 0.00 57.03 57.00 1gwp h ASP 103 Cb 0.98 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 1gwp h ASP 103 CO -0.00 1.21 -0.02 0.40 -2.88 0.00 0.00 179.24 177.95 1gwp h ILE 104 N 0.21 0.11 0.00 2.25 2.04 -0.58 0.11 117.51 121.65 1gwp h ILE 104 Ca -0.03 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1gwp h ILE 104 Cb 1.18 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1gwp h ILE 104 CO 0.11 0.02 -0.48 0.00 0.00 0.00 0.00 178.15 177.80 1gwp h ALA 105 N 1.98 0.76 0.00 1.87 0.00 -1.05 -3.46 119.26 119.37 1gwp h ALA 105 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1gwp h ALA 105 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1gwp h ALA 105 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1gwp n GLY 106 N 1.20 0.43 0.13 0.00 0.00 0.38 -4.96 105.19 102.37 1gwp n GLY 106 Ca 0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 1.28 0.00 2.61 2.02 -1.66 -3.38 112.91 113.78 1gwp h THR 107 Ca 0.00 -2.78 -0.02 0.00 0.77 0.00 0.00 66.41 64.38 1gwp h THR 107 Cb 0.94 2.96 -0.00 0.00 -1.74 0.00 0.00 68.15 70.30 1gwp h THR 107 CO 0.00 0.84 -1.50 1.07 0.37 0.00 0.00 175.52 176.30 1gwp n THR 108 N -3.63 0.07 -4.32 3.16 5.66 -1.26 -5.01 114.28 108.95 1gwp n THR 108 Ca -0.16 -0.26 -0.23 0.00 -3.05 0.00 0.00 64.05 60.35 1gwp n THR 108 Cb 1.08 0.15 -0.08 0.00 -1.55 0.00 0.00 70.33 69.93 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1gwp s SER 109 N -3.32 4.30 0.45 1.09 1.04 -1.26 -5.10 113.70 110.90 1gwp s SER 109 Ca -0.04 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 55.65 1gwp s SER 109 Cb 0.06 -0.67 0.06 0.00 0.10 0.00 0.00 66.02 65.57 1gwp s SER 109 CO 0.43 -0.06 0.46 0.35 0.98 0.00 0.00 173.24 175.40 1gwp n THR 110 N -0.88 0.00 0.23 2.02 -2.24 -1.26 -4.31 114.28 107.84 1gwp n THR 110 Ca -0.05 -1.68 -0.16 0.00 -2.27 0.00 0.00 64.05 59.89 1gwp n THR 110 Cb 0.60 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.15 -0.90 3.22 5.85 -1.98 -1.10 115.31 119.25 1gwp h LEU 111 Ca -0.26 0.10 0.24 0.00 0.84 0.00 0.00 57.88 58.81 1gwp h LEU 111 Cb 1.02 0.40 -0.16 0.00 0.37 0.00 0.00 40.66 42.29 1gwp h LEU 111 CO 0.39 -0.55 0.12 -0.61 -0.34 0.00 0.00 178.44 177.45 1gwp h GLN 112 N -0.81 0.10 -0.50 1.25 4.15 -1.99 0.78 115.11 118.09 1gwp h GLN 112 Ca -0.03 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.41 1gwp h GLN 112 Cb 0.74 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 1gwp h GLN 112 CO -0.10 0.07 0.31 0.93 -1.93 0.00 0.00 178.83 178.11 1gwp h GLU 113 N 0.10 0.60 -0.14 1.69 4.39 -1.71 -0.92 114.58 118.59 1gwp h GLU 113 Ca 0.55 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.19 1gwp h GLU 113 Cb 1.12 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1gwp h GLU 113 CO -0.76 0.40 -0.02 1.96 -1.16 0.00 0.00 179.01 179.43 1gwp h GLN 114 N 0.62 0.20 -0.36 2.33 4.20 0.17 -1.46 115.11 120.80 1gwp h GLN 114 Ca 0.20 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1gwp h GLN 114 Cb -0.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1gwp h GLN 114 CO -0.08 0.24 -0.08 0.82 -0.67 0.00 0.00 178.83 179.06 1gwp h ILE 115 N 0.20 1.28 0.43 2.54 1.08 0.46 -0.32 117.51 123.18 1gwp h ILE 115 Ca 0.05 -1.14 -0.02 0.00 -0.39 0.00 0.00 64.86 63.35 1gwp h ILE 115 Cb 0.18 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1gwp h ILE 115 CO 0.01 0.38 -0.21 1.23 -0.69 0.00 0.00 178.15 178.86 1gwp h GLY 116 N 0.49 -0.61 0.51 5.37 0.00 -0.44 0.88 103.07 109.27 1gwp h GLY 116 Ca 0.09 0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.73 1gwp h GLY 116 CO 0.03 -0.22 0.32 1.49 0.00 0.00 0.00 176.54 178.17 1gwp h TRP 117 N -0.64 0.58 0.00 5.60 6.55 -1.30 1.00 115.95 127.74 1gwp h TRP 117 Ca -0.06 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1gwp h TRP 117 Cb 0.48 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 1gwp h TRP 117 CO -0.03 0.22 0.00 1.98 -1.05 0.00 0.00 178.44 179.56 1gwp h MET 118 N 0.57 0.00 -0.16 0.49 4.05 -0.73 0.42 114.93 119.56 1gwp h MET 118 Ca 0.32 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.73 1gwp h MET 118 Cb 0.32 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1gwp h MET 118 CO -0.25 0.00 -0.02 2.41 0.23 0.00 0.00 176.91 179.28 1gwp n THR 119 N -2.31 2.16 -3.44 -0.77 -1.04 0.30 -4.37 114.28 104.82 1gwp n THR 119 Ca 0.03 -2.14 -0.21 0.00 -2.04 0.00 0.00 64.05 59.69 1gwp n THR 119 Cb 0.29 -0.26 -0.01 0.00 -1.82 0.00 0.00 70.33 68.53 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 -2.90 2.45 -0.23 -1.42 5.04 0.29 -4.92 115.29 113.60 1gwp s HIS 120 Ca 0.39 -0.54 0.01 0.00 -1.54 0.00 0.00 55.06 53.37 1gwp s HIS 120 Cb 0.33 -2.18 0.04 0.00 0.04 0.00 0.00 32.58 30.80 1gwp s HIS 120 CO 0.05 -0.33 -0.12 -0.80 -2.34 0.00 0.00 174.74 171.20 1gwp s ASN 121 N -4.25 4.04 0.74 9.88 -0.87 -1.26 0.13 114.94 123.35 1gwp s ASN 121 Ca 0.49 -1.02 -0.11 0.00 -1.57 0.00 0.00 52.86 50.65 1gwp s ASN 121 Cb -0.05 -1.57 0.03 0.00 -0.02 0.00 0.00 41.25 39.65 1gwp s ASN 121 CO 0.29 -0.12 1.08 -2.16 -2.57 0.00 0.00 177.10 173.62 1gwp s PRO 122 N 1.23 2.59 -0.21 -0.60 0.04 -1.26 -5.08 135.00 131.70 1gwp s PRO 122 Ca -0.02 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 1gwp s PRO 122 Cb -0.17 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1gwp s PRO 122 CO -0.07 -1.31 1.30 -1.25 0.04 0.00 0.00 177.00 175.71 1gwp s PRO 123 N -5.09 4.11 -0.17 0.56 0.04 0.35 -4.93 135.00 129.87 1gwp s PRO 123 Ca 0.59 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 1gwp s PRO 123 Cb -0.14 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 1gwp s PRO 123 CO 0.55 -0.87 1.33 0.42 0.04 0.00 0.00 177.00 178.47 1gwp s ILE 124 N 3.88 4.15 0.00 0.56 1.09 0.14 -4.88 121.20 126.15 1gwp s ILE 124 Ca 0.56 1.38 -0.04 0.00 -1.10 0.00 0.00 60.65 61.45 1gwp s ILE 124 Cb -0.20 -3.93 -0.18 0.00 -1.06 0.00 0.00 42.46 37.08 1gwp s ILE 124 CO 0.18 -0.17 2.71 -0.81 -0.10 0.00 0.00 174.94 176.76 1gwp n PRO 125 N 6.79 1.42 -0.28 2.79 -0.04 -1.26 -3.59 135.00 140.84 1gwp n PRO 125 Ca 0.15 -0.67 0.20 0.00 -0.04 0.00 0.00 63.50 63.13 1gwp n PRO 125 Cb 0.45 -1.80 0.50 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.14 0.63 0.42 0.52 3.04 -1.90 0.29 116.25 121.39 1gwp h VAL 126 Ca 0.13 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.65 1gwp h VAL 126 Cb 1.10 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1gwp h VAL 126 CO 0.27 0.08 -0.20 1.23 -1.01 0.00 0.00 177.57 177.93 1gwp h GLY 127 N 0.42 -0.59 0.19 3.17 0.00 -1.81 0.15 103.07 104.61 1gwp h GLY 127 Ca 0.52 0.22 0.18 0.00 0.00 0.00 0.00 47.33 48.25 1gwp h GLY 127 CO -0.22 -0.21 0.61 0.83 0.00 0.00 0.00 176.54 177.55 1gwp h GLU 128 N -0.67 0.73 0.62 4.80 5.08 -1.58 0.42 114.58 123.98 1gwp h GLU 128 Ca -0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1gwp h GLU 128 Cb 0.43 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1gwp h GLU 128 CO 0.09 0.48 -0.30 0.82 -1.00 0.00 0.00 179.01 179.11 1gwp h ILE 129 N 0.75 0.36 -0.67 3.13 2.04 -0.40 0.02 117.51 122.74 1gwp h ILE 129 Ca 0.56 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 66.37 1gwp h ILE 129 Cb 0.88 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1gwp h ILE 129 CO -0.34 0.02 0.44 0.22 0.00 0.00 0.00 178.15 178.49 1gwp h TYR 130 N -0.92 0.63 -0.67 1.37 3.20 0.50 0.26 116.97 121.35 1gwp h TYR 130 Ca -0.09 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 1gwp h TYR 130 Cb 0.67 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1gwp h TYR 130 CO -0.02 0.32 0.12 -0.22 -1.64 0.00 0.00 178.16 176.73 1gwp h LYS 131 N 0.62 1.09 -0.41 1.82 3.64 0.12 0.23 116.57 123.67 1gwp h LYS 131 Ca 0.30 -0.28 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1gwp h LYS 131 Cb 0.36 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1gwp h LYS 131 CO -0.10 0.99 -0.27 0.00 -2.27 0.00 0.00 179.45 177.81 1gwp h ARG 132 N 1.02 0.86 0.57 1.90 3.08 0.85 -1.26 114.38 121.40 1gwp h ARG 132 Ca 0.21 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 1gwp h ARG 132 Cb 0.42 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.45 1gwp h ARG 132 CO 0.01 1.02 -0.27 -1.49 -1.07 0.00 0.00 179.97 178.17 1gwp h TRP 133 N 0.74 -0.70 -0.66 3.04 6.55 -0.66 0.36 115.95 124.62 1gwp h TRP 133 Ca 0.09 -0.02 0.12 0.00 0.95 0.00 0.00 58.89 60.04 1gwp h TRP 133 Cb 0.82 0.23 -0.13 0.00 -0.86 0.00 0.00 29.16 29.22 1gwp h TRP 133 CO 0.05 -0.38 -0.25 0.82 -1.05 0.00 0.00 178.44 177.63 1gwp h ILE 134 N -1.07 0.23 0.00 1.49 2.04 -0.56 1.47 117.51 121.12 1gwp h ILE 134 Ca -0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1gwp h ILE 134 Cb 0.64 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1gwp h ILE 134 CO 0.13 0.00 -0.19 -0.29 0.00 0.00 0.00 178.15 177.80 1gwp h ILE 135 N -0.08 1.01 -0.31 -0.67 6.09 -1.17 -1.63 117.51 120.76 1gwp h ILE 135 Ca 0.29 -0.67 0.03 0.00 -1.37 0.00 0.00 64.86 63.13 1gwp h ILE 135 Cb 0.54 1.38 -0.03 0.00 0.47 0.00 0.00 36.82 39.17 1gwp h ILE 135 CO -0.71 0.18 0.14 0.25 -3.07 0.00 0.00 178.15 174.94 1gwp h LEU 136 N 0.00 0.19 -0.06 2.19 6.46 0.62 0.45 115.31 125.17 1gwp h LEU 136 Ca -0.00 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1gwp h LEU 136 Cb 0.36 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1gwp h LEU 136 CO 0.02 0.15 -0.05 1.23 -0.62 0.00 0.00 178.44 179.18 1gwp h GLY 137 N 0.30 0.15 1.23 3.75 0.00 -0.58 -1.34 103.07 106.57 1gwp h GLY 137 Ca 0.13 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.41 1gwp h GLY 137 CO -0.11 0.13 0.31 1.41 0.00 0.00 0.00 176.54 178.28 1gwp h LEU 138 N -0.28 0.16 -0.07 3.11 3.38 -1.10 0.44 115.31 120.95 1gwp h LEU 138 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1gwp h LEU 138 Cb 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1gwp h LEU 138 CO 0.01 0.10 -0.16 -1.13 0.09 0.00 0.00 178.44 177.35 1gwp h ASN 139 N 0.18 0.27 -0.34 -0.43 -1.24 0.10 0.22 115.58 114.33 1gwp h ASN 139 Ca 0.21 -0.58 -0.03 0.00 0.71 0.00 0.00 56.30 56.61 1gwp h ASN 139 Cb 0.57 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1gwp h ASN 139 CO -0.03 0.80 0.13 0.11 -1.29 0.00 0.00 177.43 177.15 1gwp h LYS 140 N -0.25 0.58 -0.02 6.67 1.79 0.04 0.33 116.57 125.72 1gwp h LYS 140 Ca 0.00 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1gwp h LYS 140 Cb 0.76 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1gwp h LYS 140 CO 0.04 0.51 -0.04 0.82 -1.08 0.00 0.00 179.45 179.69 1gwp h ILE 141 N 0.58 1.46 -0.16 1.86 2.04 -0.11 -2.70 117.51 120.48 1gwp h ILE 141 Ca 0.14 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 1gwp h ILE 141 Cb 0.17 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1gwp h ILE 141 CO -0.01 0.38 0.09 0.58 0.00 0.00 0.00 178.15 179.19 1gwp h VAL 142 N -0.50 1.05 -0.46 1.67 2.07 -0.19 -1.18 116.25 118.72 1gwp h VAL 142 Ca -0.00 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1gwp h VAL 142 Cb 0.63 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1gwp h VAL 142 CO 0.01 0.05 0.21 0.03 0.02 0.00 0.00 177.57 177.89 1gwp h ARG 143 N 0.22 0.66 -0.24 1.57 2.47 -0.24 -2.02 114.38 116.80 1gwp h ARG 143 Ca 0.06 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 1gwp h ARG 143 Cb -0.01 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1gwp h ARG 143 CO -0.01 0.57 -0.02 1.98 0.56 0.00 0.00 179.97 183.05 1gwp h MET 144 N 0.59 0.44 -0.51 0.04 4.05 -0.95 -3.12 114.93 115.47 1gwp h MET 144 Ca 0.16 -0.15 0.10 0.00 -0.28 0.00 0.00 59.70 59.53 1gwp h MET 144 Cb 0.13 -0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 30.81 1gwp h MET 144 CO -0.02 0.63 -0.02 1.88 0.23 0.00 0.00 176.91 179.61 1gwp h TYR 145 N 0.20 -0.06 -6.80 1.39 -1.99 -1.10 -3.46 116.97 105.14 1gwp h TYR 145 Ca 0.07 0.04 -0.51 0.00 2.00 0.00 0.00 58.73 60.32 1gwp h TYR 145 Cb 0.44 0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1gwp h TYR 145 CO 0.04 -0.13 -1.04 -1.13 -0.00 0.00 0.00 178.16 175.89 1gwp n SER 146 N -5.26 -4.38 -3.73 3.88 3.41 -0.77 -4.92 113.62 101.85 1gwp n SER 146 Ca 0.06 -1.05 -0.30 0.00 -0.26 0.00 0.00 58.87 57.32 1gwp n SER 146 Cb 0.28 -1.52 0.23 0.00 -0.26 0.00 0.00 64.21 62.93 1gwp n SER 146 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1gwp n PRO 147 N -3.34 -2.20 -2.68 4.33 -0.04 -1.26 -5.06 135.00 124.75 1gwp n PRO 147 Ca -0.25 -1.91 -0.04 0.00 -0.04 0.00 0.00 63.50 61.26 1gwp n PRO 147 Cb 0.63 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.69 1gwp n PRO 147 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1gwp n THR 148 N -4.34 0.00 -4.43 0.52 5.66 -1.26 -5.13 114.28 105.29 1gwp n THR 148 Ca 0.16 -0.83 -0.21 0.00 -3.05 0.00 0.00 64.05 60.12 1gwp n THR 148 Cb 0.58 1.17 -0.10 0.00 -1.55 0.00 0.00 70.33 70.43 1gwp n THR 148 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1gwp s SER 149 N -0.44 2.21 0.21 1.09 0.15 -1.26 -5.17 113.70 110.49 1gwp s SER 149 Ca 0.22 -1.40 -0.11 0.00 0.70 0.00 0.00 55.95 55.36 1gwp s SER 149 Cb 0.28 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.59 1gwp s SER 149 CO -0.16 -0.66 0.39 -0.51 1.20 0.00 0.00 173.24 173.50 1gwp s ILE 150 N -3.37 0.02 -1.54 6.45 2.07 -1.26 -5.21 121.20 118.36 1gwp s ILE 150 Ca 0.36 -1.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 1gwp s ILE 150 Cb 0.08 -2.08 0.00 0.00 0.13 0.00 0.00 42.46 40.59 1gwp s ILE 150 CO 0.15 -0.09 0.38 -0.11 -1.91 0.00 0.00 174.94 173.36