#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwp s ILE 2 N 0.00 3.21 0.22 0.52 1.01 -1.25 -1.41 121.20 123.50 1gwp s ILE 2 Ca 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 60.65 59.32 1gwp s ILE 2 Cb 0.00 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1gwp s ILE 2 CO 0.00 0.07 -0.09 0.68 0.00 0.00 0.00 174.94 175.60 1gwp s VAL 3 N -1.27 1.54 -0.26 2.92 -7.23 0.85 -4.91 120.40 112.04 1gwp s VAL 3 Ca 0.21 -2.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1gwp s VAL 3 Cb -0.11 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1gwp s VAL 3 CO 0.13 -0.49 0.07 0.00 -0.31 0.00 0.00 175.10 174.50 1gwp s GLN 4 N -3.71 3.54 1.01 4.82 0.00 -1.26 -1.53 119.66 122.53 1gwp s GLN 4 Ca 0.25 -0.55 -0.13 0.00 -0.00 0.00 0.00 55.36 54.92 1gwp s GLN 4 Cb 0.02 -3.33 0.17 0.00 0.00 0.00 0.00 33.01 29.87 1gwp s GLN 4 CO 0.08 -0.24 0.33 0.09 0.00 0.00 0.00 175.29 175.55 1gwp n ASN 5 N 4.91 -3.02 -0.05 12.60 3.02 0.18 -4.88 115.26 128.02 1gwp n ASN 5 Ca -0.16 -0.39 -0.06 0.00 -0.03 0.00 0.00 54.58 53.94 1gwp n ASN 5 Cb 0.51 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 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 -2.70 -0.02 0.08 3.41 4.07 -1.99 -3.38 115.31 114.78 1gwp h LEU 6 Ca -0.24 -0.41 0.01 0.00 0.08 0.00 0.00 57.88 57.32 1gwp h LEU 6 Cb 0.76 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.47 1gwp h LEU 6 CO 0.15 0.68 -0.40 1.56 -1.08 0.00 0.00 178.44 179.35 1gwp h GLN 7 N -0.99 -0.54 0.00 1.13 7.50 -2.06 -3.45 115.11 116.69 1gwp h GLN 7 Ca -0.00 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1gwp h GLN 7 Cb 0.42 0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.08 1gwp h GLN 7 CO 0.00 -0.36 0.00 0.41 -1.50 0.00 0.00 178.83 177.38 1gwp n GLY 8 N -1.36 -1.43 3.14 3.46 0.00 -1.26 -5.18 105.19 102.55 1gwp n GLY 8 Ca -0.06 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 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 0.67 -0.23 1.61 -0.21 -1.26 -4.97 119.66 115.27 1gwp s GLN 9 Ca 0.00 -0.93 -0.06 0.00 0.02 0.00 0.00 55.36 54.39 1gwp s GLN 9 Cb 0.00 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.25 1gwp s GLN 9 CO 0.00 -0.18 0.02 1.41 -2.12 0.00 0.00 175.29 174.43 1gwp s MET 10 N -3.33 3.55 0.07 2.91 1.75 -1.26 0.52 119.30 123.51 1gwp s MET 10 Ca 0.01 -0.53 0.02 0.00 -1.25 0.00 0.00 55.69 53.94 1gwp s MET 10 Cb 0.03 -3.18 -0.03 0.00 2.84 0.00 0.00 34.83 34.49 1gwp s MET 10 CO -0.08 -0.16 -0.07 0.14 -0.65 0.00 0.00 175.02 174.19 1gwp s VAL 11 N 1.48 0.62 0.34 10.11 -7.23 -0.58 -4.90 120.40 120.24 1gwp s VAL 11 Ca 0.06 -1.47 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 1gwp s VAL 11 Cb -0.15 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1gwp s VAL 11 CO 0.01 -0.60 0.61 -1.38 -0.31 0.00 0.00 175.10 173.43 1gwp s HIS 12 N -2.38 3.49 -0.30 2.82 -3.43 -1.26 -0.11 115.29 114.12 1gwp s HIS 12 Ca -0.00 0.64 0.17 0.00 -0.80 0.00 0.00 55.06 55.07 1gwp s HIS 12 Cb -0.03 -2.12 0.48 0.00 -1.43 0.00 0.00 32.58 29.48 1gwp s HIS 12 CO -0.02 0.07 1.07 0.94 -2.00 0.00 0.00 174.74 174.80 1gwp n GLN 13 N -1.35 2.01 -0.24 -0.38 7.27 -0.50 -4.82 117.38 119.37 1gwp n GLN 13 Ca -0.02 -3.64 0.03 0.00 0.07 0.00 0.00 57.00 53.45 1gwp n GLN 13 Cb 0.55 -1.66 -0.01 0.00 2.41 0.00 0.00 30.24 31.53 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 -0.43 -1.14 -2.16 1.69 0.00 -1.26 -4.53 120.51 112.69 1gwp n ALA 14 Ca 0.17 0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.57 1gwp n ALA 14 Cb 0.82 -0.34 0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.26 0.00 -4.64 0.00 3.06 -1.26 -0.85 119.36 114.41 1gwp n ILE 15 Ca 0.00 -0.70 -0.27 0.00 -2.50 0.00 0.00 62.75 59.29 1gwp n ILE 15 Cb 0.11 -1.31 -0.14 0.00 0.54 0.00 0.00 39.64 38.84 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 -3.11 2.72 0.11 9.51 0.15 -1.26 -4.79 113.70 117.04 1gwp s SER 16 Ca 0.34 -0.58 -0.08 0.00 0.70 0.00 0.00 55.95 56.33 1gwp s SER 16 Cb -0.02 -0.22 -0.12 0.00 -1.71 0.00 0.00 66.02 63.95 1gwp s SER 16 CO 0.23 0.17 1.29 1.55 1.20 0.00 0.00 173.24 177.68 1gwp h PRO 17 N 4.67 0.58 -0.20 5.44 0.13 -1.99 -1.72 132.00 138.91 1gwp h PRO 17 Ca -0.45 -0.56 -0.10 0.00 -0.87 0.00 0.00 66.00 64.02 1gwp h PRO 17 Cb 1.16 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1gwp h PRO 17 CO 0.43 1.18 -0.29 0.00 -0.23 0.00 0.00 178.00 179.09 1gwp h ARG 18 N 0.36 0.39 0.05 0.86 3.08 -1.98 0.37 114.38 117.50 1gwp h ARG 18 Ca -0.08 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1gwp h ARG 18 Cb 1.53 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1gwp h ARG 18 CO 0.17 0.65 -0.02 1.15 -1.07 0.00 0.00 179.97 180.84 1gwp h THR 19 N 0.34 1.32 -0.68 2.04 2.02 -1.97 -1.48 112.91 114.50 1gwp h THR 19 Ca 0.05 -1.41 -0.04 0.00 0.77 0.00 0.00 66.41 65.78 1gwp h THR 19 Cb 0.69 2.22 -0.03 0.00 -1.74 0.00 0.00 68.15 69.29 1gwp h THR 19 CO 0.05 0.34 0.28 -0.07 0.37 0.00 0.00 175.52 176.49 1gwp h LEU 20 N -0.71 0.93 0.60 2.58 3.38 -1.27 0.29 115.31 121.12 1gwp h LEU 20 Ca -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1gwp h LEU 20 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1gwp h LEU 20 CO 0.01 0.85 -0.42 -1.13 0.09 0.00 0.00 178.44 177.84 1gwp h ASN 21 N 0.97 -1.07 -0.72 -0.43 -1.24 -0.31 0.29 115.58 113.06 1gwp h ASN 21 Ca 0.23 0.07 0.12 0.00 0.71 0.00 0.00 56.30 57.43 1gwp h ASN 21 Cb 0.20 0.33 -0.08 0.00 0.73 0.00 0.00 38.32 39.49 1gwp h ASN 21 CO -0.02 -0.62 0.31 0.00 -1.29 0.00 0.00 177.43 175.81 1gwp h ALA 22 N -0.72 1.00 0.43 1.57 0.00 -1.12 -0.32 119.26 120.10 1gwp h ALA 22 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gwp h ALA 22 Cb 0.81 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1gwp h ALA 22 CO 0.04 -0.15 -0.46 2.35 0.00 0.00 0.00 179.25 181.03 1gwp h TRP 23 N 0.50 -1.29 -0.96 0.00 2.91 -0.40 0.70 115.95 117.41 1gwp h TRP 23 Ca 0.38 0.01 0.30 0.00 1.13 0.00 0.00 58.89 60.71 1gwp h TRP 23 Cb 0.50 0.51 -0.16 0.00 -0.51 0.00 0.00 29.16 29.50 1gwp h TRP 23 CO -0.14 -0.61 0.40 0.28 -1.03 0.00 0.00 178.44 177.33 1gwp h VAL 24 N -0.90 0.23 -0.47 2.65 2.07 0.48 1.86 116.25 122.16 1gwp h VAL 24 Ca -0.05 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1gwp h VAL 24 Cb 0.79 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1gwp h VAL 24 CO -0.07 0.04 -0.17 0.11 0.02 0.00 0.00 177.57 177.49 1gwp h LYS 25 N 0.20 0.93 0.49 1.57 6.56 0.34 0.36 116.57 127.03 1gwp h LYS 25 Ca 0.68 -0.36 -0.02 0.00 -1.06 0.00 0.00 60.65 59.88 1gwp h LYS 25 Cb 1.53 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.15 1gwp h LYS 25 CO -0.68 1.02 -0.24 0.28 -2.06 0.00 0.00 179.45 177.77 1gwp h VAL 26 N 0.81 0.51 -0.89 0.50 2.07 0.88 0.99 116.25 121.12 1gwp h VAL 26 Ca 0.12 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1gwp h VAL 26 Cb 0.72 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1gwp h VAL 26 CO 0.06 0.02 0.49 0.58 0.02 0.00 0.00 177.57 178.73 1gwp h VAL 27 N -0.72 1.26 -0.45 2.57 2.07 -0.25 0.32 116.25 121.05 1gwp h VAL 27 Ca -0.07 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1gwp h VAL 27 Cb 0.54 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1gwp h VAL 27 CO 0.11 0.29 0.30 -0.33 0.02 0.00 0.00 177.57 177.96 1gwp h GLU 28 N 1.25 0.48 0.00 1.57 5.08 0.03 1.63 114.58 124.61 1gwp h GLU 28 Ca 0.31 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1gwp h GLU 28 Cb 0.03 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1gwp h GLU 28 CO -0.05 0.32 -0.05 1.49 -1.00 0.00 0.00 179.01 179.72 1gwp h GLU 29 N 0.49 0.00 0.00 2.33 4.81 0.36 -3.43 114.58 119.14 1gwp h GLU 29 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1gwp h GLU 29 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1gwp h GLU 29 CO -0.05 0.79 0.00 1.63 -0.73 0.00 0.00 179.01 180.65 1gwp n LYS 30 N -4.64 0.00 -0.98 1.92 4.76 0.10 -4.89 118.16 114.43 1gwp n LYS 30 Ca -0.09 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1gwp n LYS 30 Cb 0.39 -0.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 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 -2.15 -1.92 -2.84 7.82 0.00 0.56 -4.83 120.51 117.14 1gwp n ALA 31 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 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 -0.34 -3.53 -4.40 0.00 3.01 -1.26 -5.06 117.46 105.88 1gwp n PHE 32 Ca 0.00 1.49 -0.20 0.00 1.01 0.00 0.00 57.45 59.75 1gwp n PHE 32 Cb 0.01 -3.82 -0.09 0.00 -0.01 0.00 0.00 39.48 35.57 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 -2.07 1.94 0.00 4.37 1.04 -1.26 -4.92 113.70 112.79 1gwp s SER 33 Ca 0.14 -1.52 0.24 0.00 0.48 0.00 0.00 55.95 55.29 1gwp s SER 33 Cb -0.04 0.28 1.37 0.00 0.10 0.00 0.00 66.02 67.73 1gwp s SER 33 CO 0.75 -0.81 1.79 -0.81 0.98 0.00 0.00 173.24 175.13 1gwp n PRO 34 N -0.66 0.65 -0.14 4.02 -0.04 -1.26 -2.01 135.00 135.57 1gwp n PRO 34 Ca -0.01 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1gwp n PRO 34 Cb 0.65 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.06 2.54 -0.00 0.54 1.02 -1.26 -4.35 120.64 118.07 1gwp n GLU 35 Ca 0.16 -1.87 0.05 0.00 -0.02 0.00 0.00 57.16 55.48 1gwp n GLU 35 Cb 0.11 -1.23 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1gwp n VAL 36 N 0.43 0.00 -0.16 2.62 0.31 -0.85 -4.15 118.33 116.52 1gwp n VAL 36 Ca 0.10 -0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 1gwp n VAL 36 Cb 0.39 0.62 -0.00 0.00 -0.91 0.00 0.00 33.84 33.93 1gwp n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1gwp h ILE 37 N 0.00 1.27 -0.06 2.52 1.08 -1.75 -0.47 117.51 120.09 1gwp h ILE 37 Ca 0.00 -1.10 -0.25 0.00 -0.39 0.00 0.00 64.86 63.12 1gwp h ILE 37 Cb 0.34 1.04 0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1gwp h ILE 37 CO 0.00 0.38 -0.93 1.55 -0.69 0.00 0.00 178.15 178.46 1gwp h PRO 38 N 0.69 0.71 -0.54 2.37 0.13 -1.82 -1.70 132.00 131.83 1gwp h PRO 38 Ca 0.13 -0.68 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 1gwp h PRO 38 Cb 0.54 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1gwp h PRO 38 CO 0.03 1.28 0.22 1.98 -0.23 0.00 0.00 178.00 181.27 1gwp h MET 39 N 0.44 0.77 -0.00 0.86 4.05 -1.70 -0.66 114.93 118.68 1gwp h MET 39 Ca -0.10 -0.11 -0.14 0.00 -0.28 0.00 0.00 59.70 59.07 1gwp h MET 39 Cb 1.57 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 32.24 1gwp h MET 39 CO 0.18 0.63 -0.55 0.35 0.23 0.00 0.00 176.91 177.75 1gwp h PHE 40 N 0.76 0.56 -0.50 1.39 3.57 -1.08 -1.06 116.94 120.58 1gwp h PHE 40 Ca 0.18 -0.30 0.04 0.00 3.53 0.00 0.00 57.97 61.42 1gwp h PHE 40 Cb 0.15 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1gwp h PHE 40 CO 0.01 1.12 0.34 0.66 -2.23 0.00 0.00 178.31 178.20 1gwp h SER 41 N -0.16 0.48 0.01 0.41 4.64 -1.09 0.40 113.55 118.24 1gwp h SER 41 Ca -0.07 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 1gwp h SER 41 Cb 1.27 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1gwp h SER 41 CO 0.11 0.33 -0.40 0.00 -0.87 0.00 0.00 176.83 175.99 1gwp h ALA 42 N 1.71 0.03 0.00 5.18 0.00 -1.13 -2.88 119.26 122.17 1gwp h ALA 42 Ca 0.21 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1gwp h ALA 42 Cb 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1gwp h ALA 42 CO -0.05 0.19 -0.01 -0.07 0.00 0.00 0.00 179.25 179.31 1gwp h LEU 43 N -0.38 0.00 -4.00 0.00 3.38 -0.48 -1.42 115.31 112.41 1gwp h LEU 43 Ca -0.05 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.32 1gwp h LEU 43 Cb 1.16 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.53 1gwp h LEU 43 CO 0.08 0.01 -0.27 -0.24 0.09 0.00 0.00 178.44 178.11 1gwp n SER 44 N -3.20 5.75 -0.20 -0.43 2.88 0.14 -4.79 113.62 113.76 1gwp n SER 44 Ca -0.02 -3.76 0.01 0.00 -1.33 0.00 0.00 58.87 53.77 1gwp n SER 44 Cb 0.14 -0.56 0.10 0.00 -0.75 0.00 0.00 64.21 63.14 1gwp n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1gwp h GLU 45 N 2.24 0.12 -0.24 -1.46 5.08 -1.04 -3.34 114.58 115.94 1gwp h GLU 45 Ca 0.43 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.53 1gwp h GLU 45 Cb 1.18 -0.03 -0.20 0.00 0.50 0.00 0.00 28.75 30.20 1gwp h GLU 45 CO 1.02 0.08 -0.54 0.41 -1.00 0.00 0.00 179.01 178.98 1gwp n GLY 46 N -1.36 1.35 3.88 -3.84 0.00 -1.26 -4.65 105.19 99.30 1gwp n GLY 46 Ca 0.09 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.48 3.07 0.92 4.61 0.00 -1.25 -3.94 121.76 124.68 1gwp s ALA 47 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1gwp s ALA 47 Cb 0.40 -3.01 0.05 0.00 0.00 0.00 0.00 23.12 20.56 1gwp s ALA 47 CO -0.06 -0.81 0.32 0.25 0.00 0.00 0.00 175.76 175.46 1gwp n THR 48 N -2.79 0.00 0.03 0.00 -2.24 -1.26 -4.64 114.28 103.39 1gwp n THR 48 Ca 0.06 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1gwp n THR 48 Cb 0.55 -1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 66.94 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 0.61 -0.00 -0.78 0.13 -1.94 -1.59 132.00 128.42 1gwp h PRO 49 Ca -0.10 -0.59 -0.14 0.00 -0.87 0.00 0.00 66.00 64.30 1gwp h PRO 49 Cb 0.30 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 1gwp h PRO 49 CO 0.08 1.20 -0.68 0.37 -0.23 0.00 0.00 178.00 178.73 1gwp h GLN 50 N 0.37 0.00 0.34 0.86 5.75 -1.97 -0.92 115.11 119.54 1gwp h GLN 50 Ca -0.08 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1gwp h GLN 50 Cb 1.54 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.09 1gwp h GLN 50 CO 0.17 0.69 -0.16 0.22 -2.65 0.00 0.00 178.83 177.09 1gwp h ASP 51 N 0.00 -0.38 -0.23 -0.69 1.82 -1.92 0.92 116.42 115.94 1gwp h ASP 51 Ca -0.01 -0.10 0.05 0.00 -0.39 0.00 0.00 57.03 56.58 1gwp h ASP 51 Cb 1.21 0.10 -0.05 0.00 0.68 0.00 0.00 39.33 41.27 1gwp h ASP 51 CO 0.09 0.08 -0.07 -0.07 -1.61 0.00 0.00 179.24 177.66 1gwp h LEU 52 N -1.05 -0.24 -1.01 2.28 3.38 -1.35 0.23 115.31 117.55 1gwp h LEU 52 Ca -0.05 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1gwp h LEU 52 Cb 0.46 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1gwp h LEU 52 CO 0.08 -0.09 0.66 -1.13 0.09 0.00 0.00 178.44 178.05 1gwp h ASN 53 N -0.01 1.09 -0.20 -0.43 -0.73 -1.25 0.08 115.58 114.13 1gwp h ASN 53 Ca 0.11 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1gwp h ASN 53 Cb 0.19 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 1gwp h ASN 53 CO -0.25 0.74 0.12 0.74 -0.37 0.00 0.00 177.43 178.41 1gwp h THR 54 N 1.26 1.08 -0.27 -3.57 2.02 0.82 0.36 112.91 114.61 1gwp h THR 54 Ca 0.41 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1gwp h THR 54 Cb 0.03 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1gwp h THR 54 CO -0.14 0.08 0.05 -0.03 0.37 0.00 0.00 175.52 175.85 1gwp h MET 55 N 0.25 0.39 -0.13 6.66 1.85 0.15 0.34 114.93 124.44 1gwp h MET 55 Ca 0.07 -0.06 -0.23 0.00 -0.61 0.00 0.00 59.70 58.88 1gwp h MET 55 Cb 0.02 -0.07 0.01 0.00 0.43 0.00 0.00 31.60 31.99 1gwp h MET 55 CO -0.01 0.39 -0.80 -0.07 -0.40 0.00 0.00 176.91 176.01 1gwp h LEU 56 N 0.39 0.93 -1.10 3.39 4.07 -0.40 -2.94 115.31 119.65 1gwp h LEU 56 Ca 0.09 -0.65 -0.03 0.00 0.08 0.00 0.00 57.88 57.38 1gwp h LEU 56 Cb 0.19 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.65 1gwp h LEU 56 CO -0.00 1.43 -0.12 -1.13 -1.08 0.00 0.00 178.44 177.54 1gwp h ASN 57 N 0.50 0.00 -0.89 -0.43 -0.73 0.33 -2.92 115.58 111.45 1gwp h ASN 57 Ca -0.06 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 1gwp h ASN 57 Cb 1.44 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.99 1gwp h ASN 57 CO 0.17 0.12 0.48 0.74 -0.37 0.00 0.00 177.43 178.57 1gwp h THR 58 N 0.00 1.26 -1.70 -3.57 2.02 -0.16 -3.44 112.91 107.32 1gwp h THR 58 Ca -0.00 -0.65 -0.40 0.00 0.77 0.00 0.00 66.41 66.13 1gwp h THR 58 Cb 0.70 0.07 0.21 0.00 -1.74 0.00 0.00 68.15 67.39 1gwp h THR 58 CO 0.02 0.29 -1.50 0.55 0.37 0.00 0.00 175.52 175.25 1gwp n VAL 59 N -4.34 0.00 0.00 3.16 3.14 -1.10 -4.92 118.33 114.27 1gwp n VAL 59 Ca 0.09 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1gwp n VAL 59 Cb 0.10 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.55 1gwp n VAL 59 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gwp n GLY 60 N 2.68 -3.05 0.00 7.55 0.00 -1.26 -4.91 105.19 106.19 1gwp n GLY 60 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1gwp n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwp n GLY 61 N -0.58 -0.89 3.56 -0.02 0.00 -1.26 -5.10 105.19 100.90 1gwp n GLY 61 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1gwp n GLY 61 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gwp s HIS 62 N 0.00 2.45 0.25 1.61 3.76 -1.26 -4.85 115.29 117.25 1gwp s HIS 62 Ca 0.00 0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 55.05 1gwp s HIS 62 Cb 0.00 -4.55 0.31 0.00 1.11 0.00 0.00 32.58 29.44 1gwp s HIS 62 CO 0.00 -1.83 1.67 -0.56 -0.85 0.00 0.00 174.74 173.17 1gwp h GLN 63 N 9.78 0.57 0.01 1.40 3.07 -1.99 0.17 115.11 128.12 1gwp h GLN 63 Ca -0.27 -0.24 -0.00 0.00 0.09 0.00 0.00 58.65 58.24 1gwp h GLN 63 Cb 1.05 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1gwp h GLN 63 CO 1.23 0.80 -0.00 0.00 0.09 0.00 0.00 178.83 180.94 1gwp h ALA 64 N 1.20 -0.01 0.47 0.06 0.00 -1.98 0.33 119.26 119.33 1gwp h ALA 64 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1gwp h ALA 64 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1gwp h ALA 64 CO 0.06 -0.30 -0.23 0.00 0.00 0.00 0.00 179.25 178.79 1gwp h ALA 65 N 0.55 -0.63 -0.74 0.00 0.00 -1.94 -0.71 119.26 115.78 1gwp h ALA 65 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1gwp h ALA 65 Cb 0.43 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1gwp h ALA 65 CO 0.00 -0.85 0.49 0.52 0.00 0.00 0.00 179.25 179.41 1gwp h MET 66 N -0.64 0.82 0.17 0.00 2.07 -0.69 -0.93 114.93 115.73 1gwp h MET 66 Ca -0.06 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.51 1gwp h MET 66 Cb 0.49 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 30.04 1gwp h MET 66 CO 0.11 0.54 -0.08 0.37 1.07 0.00 0.00 176.91 178.91 1gwp h GLN 67 N 0.84 -0.22 -0.98 1.72 5.75 0.12 0.40 115.11 122.74 1gwp h GLN 67 Ca 0.31 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.83 1gwp h GLN 67 Cb 0.16 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 1gwp h GLN 67 CO -0.10 -0.14 0.65 0.52 -2.65 0.00 0.00 178.83 177.10 1gwp h MET 68 N -0.24 1.29 -0.40 1.69 2.86 -0.56 -0.84 114.93 118.72 1gwp h MET 68 Ca -0.02 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1gwp h MET 68 Cb 0.19 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1gwp h MET 68 CO 0.04 0.86 0.06 1.25 1.06 0.00 0.00 176.91 180.17 1gwp h LEU 69 N 1.33 0.57 -0.07 1.22 6.46 -0.83 0.20 115.31 124.18 1gwp h LEU 69 Ca 0.36 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1gwp h LEU 69 Cb -0.15 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.63 1gwp h LEU 69 CO -0.08 0.60 0.00 0.50 -0.62 0.00 0.00 178.44 178.84 1gwp h LYS 70 N 0.59 0.12 -0.35 1.25 3.11 0.33 0.10 116.57 121.72 1gwp h LYS 70 Ca 0.13 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1gwp h LYS 70 Cb 0.29 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 1gwp h LYS 70 CO 0.00 0.39 0.19 1.49 -2.81 0.00 0.00 179.45 178.71 1gwp h GLU 71 N -0.16 0.49 0.86 1.90 4.81 -0.82 0.11 114.58 121.78 1gwp h GLU 71 Ca 0.02 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1gwp h GLU 71 Cb 0.33 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1gwp h GLU 71 CO 0.00 0.41 -0.46 1.15 -0.73 0.00 0.00 179.01 179.38 1gwp h THR 72 N 0.44 0.00 -0.76 0.32 2.02 -0.55 0.05 112.91 114.44 1gwp h THR 72 Ca 0.12 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.47 1gwp h THR 72 Cb 0.07 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.36 1gwp h THR 72 CO -0.02 0.00 0.18 0.40 0.37 0.00 0.00 175.52 176.45 1gwp h ILE 73 N -1.22 0.48 -0.79 3.11 2.04 -0.76 0.90 117.51 121.27 1gwp h ILE 73 Ca -0.12 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.72 1gwp h ILE 73 Cb 0.96 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1gwp h ILE 73 CO 0.16 0.05 0.52 -1.13 0.00 0.00 0.00 178.15 177.75 1gwp h ASN 74 N 0.26 0.74 0.77 1.72 -1.24 -0.66 -1.34 115.58 115.83 1gwp h ASN 74 Ca 0.43 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.41 1gwp h ASN 74 Cb 0.76 -0.15 0.01 0.00 0.73 0.00 0.00 38.32 39.66 1gwp h ASN 74 CO -0.54 0.47 -0.37 -0.08 -1.29 0.00 0.00 177.43 175.63 1gwp h GLU 75 N 0.84 -0.99 -0.87 6.67 4.81 0.28 -1.35 114.58 123.96 1gwp h GLU 75 Ca 0.34 0.07 0.22 0.00 -0.13 0.00 0.00 59.36 59.87 1gwp h GLU 75 Cb 0.27 0.23 -0.13 0.00 0.63 0.00 0.00 28.75 29.74 1gwp h GLU 75 CO -0.12 -0.65 0.30 0.93 -0.73 0.00 0.00 179.01 178.74 1gwp h GLU 76 N -1.20 0.28 -0.01 1.92 4.39 -0.74 0.33 114.58 119.54 1gwp h GLU 76 Ca -0.11 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1gwp h GLU 76 Cb 0.81 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1gwp h GLU 76 CO 0.17 0.19 -0.03 0.00 -1.16 0.00 0.00 179.01 178.18 1gwp h ALA 77 N 1.73 -0.02 -0.41 3.43 0.00 -1.11 0.21 119.26 123.10 1gwp h ALA 77 Ca 0.54 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.53 1gwp h ALA 77 Cb 1.06 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1gwp h ALA 77 CO -0.59 -0.52 0.05 0.00 0.00 0.00 0.00 179.25 178.19 1gwp h ALA 78 N 0.96 0.42 0.00 0.00 0.00 0.68 0.22 119.26 121.54 1gwp h ALA 78 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1gwp h ALA 78 Cb 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gwp h ALA 78 CO -0.04 -0.35 -0.09 0.93 0.00 0.00 0.00 179.25 179.70 1gwp h GLU 79 N 0.17 0.00 -0.44 0.00 3.07 -0.25 0.33 114.58 117.46 1gwp h GLU 79 Ca 0.20 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1gwp h GLU 79 Cb 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1gwp h GLU 79 CO -0.29 0.09 -0.09 2.35 -1.40 0.00 0.00 179.01 179.68 1gwp h TRP 80 N 0.00 0.94 -0.02 4.33 2.91 0.25 0.48 115.95 124.85 1gwp h TRP 80 Ca -0.00 -0.20 -0.01 0.00 1.13 0.00 0.00 58.89 59.81 1gwp h TRP 80 Cb 0.18 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.60 1gwp h TRP 80 CO 0.00 0.94 -0.03 0.22 -1.03 0.00 0.00 178.44 178.54 1gwp h ASP 81 N 0.67 0.05 -0.56 2.65 1.82 0.17 -0.65 116.42 120.58 1gwp h ASP 81 Ca 0.11 -0.57 0.05 0.00 -0.39 0.00 0.00 57.03 56.23 1gwp h ASP 81 Cb 0.62 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.57 1gwp h ASP 81 CO 0.04 0.61 0.29 -0.09 -1.61 0.00 0.00 179.24 178.49 1gwp h ARG 82 N -0.50 0.55 0.00 0.28 2.43 -0.35 -1.98 114.38 114.80 1gwp h ARG 82 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1gwp h ARG 82 Cb 0.60 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1gwp h ARG 82 CO 0.01 0.36 0.00 1.28 -1.51 0.00 0.00 179.97 180.11 1gwp n LEU 83 N -4.85 0.51 -4.01 3.80 4.77 0.17 -4.68 117.00 112.70 1gwp n LEU 83 Ca 0.06 0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 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 0.29 0.00 -0.02 -1.38 -1.33 0.00 0.00 177.39 174.95 1gwp s HIS 84 N -0.19 3.39 0.39 -1.77 -3.43 -0.26 -5.06 115.29 108.37 1gwp s HIS 84 Ca 0.00 -3.01 -0.07 0.00 -0.80 0.00 0.00 55.06 51.18 1gwp s HIS 84 Cb 0.00 -2.99 0.09 0.00 -1.43 0.00 0.00 32.58 28.25 1gwp s HIS 84 CO 0.00 -0.75 0.42 -0.35 -2.00 0.00 0.00 174.74 172.07 1gwp n PRO 85 N 2.99 -1.10 -1.66 -0.38 -0.04 -0.74 -4.50 135.00 129.58 1gwp n PRO 85 Ca 0.10 -0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 62.47 1gwp n PRO 85 Cb 0.35 -0.53 -0.01 0.00 -0.04 0.00 0.00 33.50 33.28 1gwp n PRO 85 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1gwp n VAL 86 N -2.98 3.28 -3.81 0.52 3.14 -1.26 -4.77 118.33 112.44 1gwp n VAL 86 Ca 0.06 -2.84 -0.30 0.00 -2.96 0.00 0.00 64.34 58.30 1gwp n VAL 86 Cb 0.20 -2.58 -0.13 0.00 -1.06 0.00 0.00 33.84 30.27 1gwp n VAL 86 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1gwp s HIS 87 N 3.39 2.50 0.00 1.45 5.04 -1.26 -4.97 115.29 121.44 1gwp s HIS 87 Ca 0.48 -2.75 0.00 0.00 -1.54 0.00 0.00 55.06 51.25 1gwp s HIS 87 Cb 0.14 -2.29 0.00 0.00 0.04 0.00 0.00 32.58 30.47 1gwp s HIS 87 CO -0.07 -0.76 0.00 0.00 -2.34 0.00 0.00 174.74 171.57 1gwp n ALA 88 N 3.35 0.00 0.00 1.58 0.00 -1.26 -5.15 120.51 119.03 1gwp n ALA 88 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1gwp n ALA 88 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 1.29 3.59 0.00 0.00 -1.26 -4.93 105.19 103.88 1gwp n GLY 89 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 -5.13 3.44 0.43 1.61 0.04 -1.26 -4.97 135.00 129.16 1gwp s PRO 90 Ca 0.00 0.78 -0.25 0.00 0.04 0.00 0.00 61.00 61.57 1gwp s PRO 90 Cb 0.00 -4.08 -0.10 0.00 0.04 0.00 0.00 34.50 30.37 1gwp s PRO 90 CO 0.00 -1.75 1.20 -0.89 0.04 0.00 0.00 177.00 175.60 1gwp n ILE 91 N 7.03 2.62 -4.41 0.56 2.08 -1.26 -5.00 119.36 120.97 1gwp n ILE 91 Ca 0.16 -0.50 -0.26 0.00 0.56 0.00 0.00 62.75 62.70 1gwp n ILE 91 Cb 0.48 -1.45 -0.11 0.00 -0.75 0.00 0.00 39.64 37.81 1gwp n ILE 91 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gwp s ALA 92 N -1.23 2.62 -1.08 -1.39 0.00 -1.26 -5.05 121.76 114.37 1gwp s ALA 92 Ca 0.62 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 1gwp s ALA 92 Cb -0.52 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 1gwp s ALA 92 CO 0.57 0.41 1.75 -1.25 0.00 0.00 0.00 175.76 177.24 1gwp s PRO 93 N -2.82 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 132.24 1gwp s PRO 93 Ca 0.23 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.18 1gwp s PRO 93 Cb -0.08 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1gwp s PRO 93 CO 0.11 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.65 1gwp n GLY 94 N 6.33 0.13 3.92 0.56 0.00 -1.26 -5.13 105.19 109.73 1gwp n GLY 94 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 3.57 -0.47 1.61 -1.52 -0.79 -5.01 119.66 117.06 1gwp s GLN 95 Ca 0.00 -0.13 -0.28 0.00 -1.95 0.00 0.00 55.36 53.00 1gwp s GLN 95 Cb 0.00 -2.67 -0.01 0.00 -0.22 0.00 0.00 33.01 30.11 1gwp s GLN 95 CO 0.00 0.21 1.71 1.41 -0.25 0.00 0.00 175.29 178.38 1gwp s MET 96 N -3.74 3.13 1.03 2.91 -2.45 -1.26 -4.78 119.30 114.13 1gwp s MET 96 Ca 0.42 0.96 -0.13 0.00 -1.25 0.00 0.00 55.69 55.69 1gwp s MET 96 Cb -0.10 -4.23 0.21 0.00 1.25 0.00 0.00 34.83 31.96 1gwp s MET 96 CO 0.32 -2.12 1.09 1.03 1.05 0.00 0.00 175.02 176.39 1gwp s ARG 97 N 5.99 0.18 -0.41 4.11 0.52 -1.26 -5.02 118.95 123.06 1gwp s ARG 97 Ca 0.69 0.50 0.10 0.00 -0.52 0.00 0.00 55.73 56.51 1gwp s ARG 97 Cb -0.16 -1.71 0.34 0.00 0.52 0.00 0.00 34.95 33.93 1gwp s ARG 97 CO 0.28 -2.90 0.75 0.39 0.02 0.00 0.00 175.30 173.84 1gwp n GLU 98 N -4.29 1.38 -2.52 3.54 1.02 -1.26 -5.08 120.64 113.43 1gwp n GLU 98 Ca 0.05 -3.65 -0.38 0.00 -0.02 0.00 0.00 57.16 53.15 1gwp n GLU 98 Cb 0.57 -1.77 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1gwp s PRO 99 N -2.49 4.38 -0.14 3.49 0.04 -1.26 -4.21 135.00 134.81 1gwp s PRO 99 Ca 0.41 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 1gwp s PRO 99 Cb 0.32 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1gwp s PRO 99 CO -0.09 0.03 -0.06 1.03 0.04 0.00 0.00 177.00 177.94 1gwp s ARG 100 N -2.02 3.50 0.00 4.56 3.00 -1.26 -4.42 118.95 122.32 1gwp s ARG 100 Ca 0.52 -0.56 0.00 0.00 0.00 0.00 0.00 55.73 55.68 1gwp s ARG 100 Cb -0.26 -2.81 0.00 0.00 0.00 0.00 0.00 34.95 31.88 1gwp s ARG 100 CO 0.33 0.28 0.00 0.41 0.00 0.00 0.00 175.30 176.33 1gwp n GLY 101 N 3.38 1.20 0.42 -3.53 0.00 -1.26 -4.35 105.19 101.04 1gwp n GLY 101 Ca -0.18 -0.89 0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 0.40 0.17 1.61 0.02 -1.90 0.20 113.55 114.06 1gwp h SER 102 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1gwp h SER 102 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1gwp h SER 102 CO 0.00 0.09 -0.16 -0.78 -1.14 0.00 0.00 176.83 174.84 1gwp h ASP 103 N 0.36 -0.43 0.38 3.07 3.58 -1.82 0.15 116.42 121.71 1gwp h ASP 103 Ca 0.57 0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.06 1gwp h ASP 103 Cb 1.52 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.71 1gwp h ASP 103 CO -0.25 -0.25 0.00 -0.38 -2.88 0.00 0.00 179.24 175.48 1gwp n ILE 104 N -5.29 1.20 0.11 2.25 5.41 0.55 -0.74 119.36 122.86 1gwp n ILE 104 Ca -0.08 0.36 0.05 0.00 1.00 0.00 0.00 62.75 64.08 1gwp n ILE 104 Cb 0.20 -1.23 0.01 0.00 -0.71 0.00 0.00 39.64 37.90 1gwp n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gwp h ALA 105 N 2.28 0.68 0.00 -1.39 0.00 0.82 -3.44 119.26 118.21 1gwp h ALA 105 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1gwp h ALA 105 Cb 0.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gwp h ALA 105 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1gwp n GLY 106 N 1.25 0.94 0.16 0.00 0.00 0.08 -4.98 105.19 102.64 1gwp n GLY 106 Ca -0.02 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 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 1.33 0.00 2.61 2.02 -1.49 -3.36 112.91 114.02 1gwp h THR 107 Ca 0.00 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1gwp h THR 107 Cb 0.11 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1gwp h THR 107 CO 0.00 0.76 -0.34 0.41 0.37 0.00 0.00 175.52 176.73 1gwp n THR 108 N -3.75 0.00 -4.62 3.16 -1.04 -1.26 -4.99 114.28 101.78 1gwp n THR 108 Ca -0.12 -0.36 -0.33 0.00 -2.04 0.00 0.00 64.05 61.20 1gwp n THR 108 Cb 0.96 0.90 -0.13 0.00 -1.82 0.00 0.00 70.33 70.24 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1gwp s SER 109 N -1.51 4.42 0.07 8.00 1.04 -1.26 -5.08 113.70 119.37 1gwp s SER 109 Ca 0.01 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1gwp s SER 109 Cb 0.03 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.62 1gwp s SER 109 CO 0.14 0.22 0.00 0.35 0.98 0.00 0.00 173.24 174.93 1gwp n THR 110 N 3.17 0.00 0.19 2.02 -2.24 -1.26 -4.29 114.28 111.86 1gwp n THR 110 Ca -0.18 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 1gwp n THR 110 Cb 0.53 -1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.43 -0.68 3.22 5.85 -1.99 -0.66 115.31 120.62 1gwp h LEU 111 Ca 0.00 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.86 1gwp h LEU 111 Cb 0.00 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 1gwp h LEU 111 CO 0.00 -0.17 0.22 -0.61 -0.34 0.00 0.00 178.44 177.54 1gwp h GLN 112 N -0.78 0.35 -0.69 1.25 4.15 -2.00 0.60 115.11 118.00 1gwp h GLN 112 Ca -0.05 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.39 1gwp h GLN 112 Cb 0.39 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.95 1gwp h GLN 112 CO 0.08 0.23 0.41 0.93 -1.93 0.00 0.00 178.83 178.56 1gwp h GLU 113 N 0.36 0.75 -0.76 1.69 4.39 -1.94 -1.43 114.58 117.65 1gwp h GLU 113 Ca 0.37 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.05 1gwp h GLU 113 Cb 0.54 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 1gwp h GLU 113 CO -0.40 0.50 0.48 0.37 -1.16 0.00 0.00 179.01 178.80 1gwp h GLN 114 N 0.77 0.91 -0.88 2.33 5.75 0.69 -0.23 115.11 124.46 1gwp h GLN 114 Ca 0.30 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.76 1gwp h GLN 114 Cb 0.11 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.41 1gwp h GLN 114 CO -0.15 0.60 0.58 0.82 -2.65 0.00 0.00 178.83 178.04 1gwp h ILE 115 N 0.94 1.20 0.47 2.39 5.03 -0.26 0.11 117.51 127.39 1gwp h ILE 115 Ca 0.30 -0.40 -0.02 0.00 -0.12 0.00 0.00 64.86 64.62 1gwp h ILE 115 Cb 0.01 -0.07 0.00 0.00 -3.03 0.00 0.00 36.82 33.74 1gwp h ILE 115 CO -0.11 0.21 -0.23 1.23 -0.68 0.00 0.00 178.15 178.58 1gwp h GLY 116 N 1.17 -0.66 0.30 5.37 0.00 -0.27 0.54 103.07 109.52 1gwp h GLY 116 Ca 0.33 0.24 0.12 0.00 0.00 0.00 0.00 47.33 48.03 1gwp h GLY 116 CO -0.09 -0.24 0.37 1.49 0.00 0.00 0.00 176.54 178.07 1gwp h TRP 117 N -0.77 0.65 -0.53 5.60 6.55 -0.84 1.40 115.95 128.02 1gwp h TRP 117 Ca -0.06 0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.73 1gwp h TRP 117 Cb 0.55 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.65 1gwp h TRP 117 CO -0.01 0.17 0.01 0.52 -1.05 0.00 0.00 178.44 178.08 1gwp h MET 118 N 0.57 0.89 -0.68 0.49 2.86 -0.53 0.86 114.93 119.38 1gwp h MET 118 Ca 0.41 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 1gwp h MET 118 Cb 0.53 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1gwp h MET 118 CO -0.34 0.88 0.11 2.41 1.06 0.00 0.00 176.91 181.03 1gwp n THR 119 N -4.20 2.65 -2.45 2.22 -1.04 0.19 -3.94 114.28 107.71 1gwp n THR 119 Ca 0.03 -1.38 -0.23 0.00 -2.04 0.00 0.00 64.05 60.42 1gwp n THR 119 Cb 0.31 -0.34 0.05 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 -2.71 2.92 -0.27 -1.42 5.04 0.45 -4.89 115.29 114.40 1gwp s HIS 120 Ca 0.51 0.23 0.03 0.00 -1.54 0.00 0.00 55.06 54.29 1gwp s HIS 120 Cb 0.40 -2.93 0.07 0.00 0.04 0.00 0.00 32.58 30.15 1gwp s HIS 120 CO 0.14 -1.09 -0.07 -0.80 -2.34 0.00 0.00 174.74 170.58 1gwp s ASN 121 N -4.45 4.46 0.81 9.88 -0.87 -1.26 0.20 114.94 123.71 1gwp s ASN 121 Ca 0.58 -1.53 -0.12 0.00 -1.57 0.00 0.00 52.86 50.23 1gwp s ASN 121 Cb -0.11 -1.53 0.08 0.00 -0.02 0.00 0.00 41.25 39.67 1gwp s ASN 121 CO 0.41 -0.23 1.10 -2.16 -2.57 0.00 0.00 177.10 173.66 1gwp s PRO 122 N 1.09 1.96 -0.21 -0.60 0.04 -1.26 -5.08 135.00 130.94 1gwp s PRO 122 Ca -0.05 0.60 -0.29 0.00 0.04 0.00 0.00 61.00 61.30 1gwp s PRO 122 Cb -0.20 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1gwp s PRO 122 CO -0.06 -1.70 1.30 -1.25 0.04 0.00 0.00 177.00 175.34 1gwp s PRO 123 N -5.17 4.11 -0.12 0.56 0.04 0.52 -4.94 135.00 130.00 1gwp s PRO 123 Ca 0.61 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 1gwp s PRO 123 Cb -0.14 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.55 1gwp s PRO 123 CO 0.54 -0.87 1.29 0.42 0.04 0.00 0.00 177.00 178.42 1gwp s ILE 124 N 3.87 4.18 0.00 0.56 1.09 0.29 -4.88 121.20 126.31 1gwp s ILE 124 Ca 0.56 1.45 -0.02 0.00 -1.10 0.00 0.00 60.65 61.55 1gwp s ILE 124 Cb -0.21 -3.94 -0.10 0.00 -1.06 0.00 0.00 42.46 37.16 1gwp s ILE 124 CO 0.18 -0.09 2.15 -0.81 -0.10 0.00 0.00 174.94 176.27 1gwp n PRO 125 N 6.27 1.11 -0.30 2.79 -0.04 -1.26 -3.56 135.00 140.02 1gwp n PRO 125 Ca 0.13 -0.37 0.23 0.00 -0.04 0.00 0.00 63.50 63.46 1gwp n PRO 125 Cb 0.45 -1.49 0.54 0.00 -0.04 0.00 0.00 33.50 32.95 1gwp n PRO 125 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1gwp h VAL 126 N 1.74 0.55 0.00 0.52 3.04 -1.90 0.37 116.25 120.57 1gwp h VAL 126 Ca 0.07 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1gwp h VAL 126 Cb 0.94 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 1gwp h VAL 126 CO 0.15 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.38 1gwp n GLY 127 N -1.52 -1.20 0.37 3.17 0.00 -1.26 -1.57 105.19 103.17 1gwp n GLY 127 Ca 0.24 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.56 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 0.16 0.54 1.61 5.08 -1.75 0.33 114.58 120.55 1gwp h GLU 128 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1gwp h GLU 128 Cb 0.00 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1gwp h GLU 128 CO 0.00 0.11 -0.26 0.82 -1.00 0.00 0.00 179.01 178.68 1gwp h ILE 129 N 0.16 0.00 -1.03 3.13 2.04 -0.34 -0.92 117.51 120.55 1gwp h ILE 129 Ca 0.79 -0.08 0.26 0.00 1.00 0.00 0.00 64.86 66.83 1gwp h ILE 129 Cb 2.10 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 38.09 1gwp h ILE 129 CO -0.59 0.00 0.67 0.22 0.00 0.00 0.00 178.15 178.45 1gwp h TYR 130 N -0.81 0.63 -0.41 1.37 3.20 0.20 0.49 116.97 121.65 1gwp h TYR 130 Ca -0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1gwp h TYR 130 Cb 0.56 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1gwp h TYR 130 CO 0.08 0.07 0.17 -0.22 -1.64 0.00 0.00 178.16 176.61 1gwp h LYS 131 N 0.39 0.60 -0.27 1.82 3.64 -0.28 0.36 116.57 122.84 1gwp h LYS 131 Ca 0.58 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.74 1gwp h LYS 131 Cb 1.49 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1gwp h LYS 131 CO -0.28 0.56 -0.31 -0.09 -2.27 0.00 0.00 179.45 177.06 1gwp h ARG 132 N 0.51 0.57 0.19 1.90 2.43 0.12 -0.79 114.38 119.32 1gwp h ARG 132 Ca 0.14 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1gwp h ARG 132 Cb 0.18 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1gwp h ARG 132 CO -0.01 0.82 -0.09 -1.49 -1.51 0.00 0.00 179.97 177.69 1gwp h TRP 133 N 0.49 -0.23 -0.92 2.20 6.55 -0.08 0.47 115.95 124.43 1gwp h TRP 133 Ca 0.06 -0.01 0.26 0.00 0.95 0.00 0.00 58.89 60.16 1gwp h TRP 133 Cb 0.78 0.08 -0.16 0.00 -0.86 0.00 0.00 29.16 29.01 1gwp h TRP 133 CO 0.03 -0.15 0.22 0.82 -1.05 0.00 0.00 178.44 178.32 1gwp h ILE 134 N -0.34 0.21 -0.70 1.49 2.04 -0.34 1.58 117.51 121.44 1gwp h ILE 134 Ca -0.03 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1gwp h ILE 134 Cb 0.19 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1gwp h ILE 134 CO 0.04 0.03 0.19 0.40 0.00 0.00 0.00 178.15 178.81 1gwp h ILE 135 N 0.14 1.26 -0.52 -0.67 1.08 -1.09 -1.49 117.51 116.22 1gwp h ILE 135 Ca 0.60 -0.93 0.09 0.00 -0.39 0.00 0.00 64.86 64.23 1gwp h ILE 135 Cb 1.27 0.53 -0.08 0.00 -3.07 0.00 0.00 36.82 35.47 1gwp h ILE 135 CO -0.73 0.36 0.08 0.25 -0.69 0.00 0.00 178.15 177.43 1gwp h LEU 136 N 1.05 -0.05 0.14 1.44 6.46 0.72 0.52 115.31 125.59 1gwp h LEU 136 Ca 0.22 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1gwp h LEU 136 Cb 0.34 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1gwp h LEU 136 CO -0.00 0.00 -0.07 1.23 -0.62 0.00 0.00 178.44 178.98 1gwp h GLY 137 N 0.21 -0.19 0.72 3.75 0.00 -0.77 -1.22 103.07 105.57 1gwp h GLY 137 Ca 0.27 0.07 0.13 0.00 0.00 0.00 0.00 47.33 47.79 1gwp h GLY 137 CO -0.36 -0.07 0.51 1.41 0.00 0.00 0.00 176.54 178.03 1gwp h LEU 138 N -0.35 0.52 -0.20 3.11 3.38 -0.57 0.36 115.31 121.55 1gwp h LEU 138 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1gwp h LEU 138 Cb 0.28 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1gwp h LEU 138 CO 0.03 0.29 0.04 -1.13 0.09 0.00 0.00 178.44 177.76 1gwp h ASN 139 N 0.57 0.31 -0.32 -0.43 -0.73 0.44 0.25 115.58 115.67 1gwp h ASN 139 Ca 0.38 -0.24 -0.05 0.00 1.87 0.00 0.00 56.30 58.26 1gwp h ASN 139 Cb 0.68 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 1gwp h ASN 139 CO -0.14 0.47 0.05 0.11 -0.37 0.00 0.00 177.43 177.55 1gwp h LYS 140 N 0.14 0.63 0.02 6.67 1.57 0.22 0.39 116.57 126.20 1gwp h LYS 140 Ca 0.06 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1gwp h LYS 140 Cb 0.28 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1gwp h LYS 140 CO 0.00 0.61 -0.01 0.82 -0.57 0.00 0.00 179.45 180.30 1gwp h ILE 141 N 0.60 1.23 -0.27 1.86 2.04 0.01 -1.02 117.51 121.96 1gwp h ILE 141 Ca 0.13 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1gwp h ILE 141 Cb 0.30 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1gwp h ILE 141 CO 0.00 0.19 -0.01 0.58 0.00 0.00 0.00 178.15 178.91 1gwp h VAL 142 N -0.35 1.17 -0.12 1.67 2.07 -0.18 -0.89 116.25 119.62 1gwp h VAL 142 Ca -0.00 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1gwp h VAL 142 Cb 0.34 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1gwp h VAL 142 CO 0.00 0.23 0.06 0.03 0.02 0.00 0.00 177.57 177.92 1gwp h ARG 143 N 0.40 0.17 -0.45 1.57 2.47 0.02 -1.79 114.38 116.78 1gwp h ARG 143 Ca 0.09 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1gwp h ARG 143 Cb 0.29 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1gwp h ARG 143 CO 0.01 0.23 0.15 1.98 0.56 0.00 0.00 179.97 182.89 1gwp h MET 144 N 0.08 0.70 -0.31 0.04 4.05 -0.77 -3.03 114.93 115.69 1gwp h MET 144 Ca 0.04 -0.15 0.07 0.00 -0.28 0.00 0.00 59.70 59.38 1gwp h MET 144 Cb 0.11 -0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.74 1gwp h MET 144 CO -0.01 0.67 -0.12 1.88 0.23 0.00 0.00 176.91 179.56 1gwp h TYR 145 N 0.59 -0.29 -6.79 1.39 -1.99 -1.01 -3.46 116.97 105.41 1gwp h TYR 145 Ca 0.15 0.03 -0.51 0.00 2.00 0.00 0.00 58.73 60.40 1gwp h TYR 145 Cb 0.26 0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1gwp h TYR 145 CO 0.01 -0.19 -1.04 0.45 -0.00 0.00 0.00 178.16 177.39 1gwp n SER 146 N -5.30 -4.36 -4.61 3.88 2.88 -0.69 -4.91 113.62 100.51 1gwp n SER 146 Ca 0.00 -1.04 -0.29 0.00 -1.33 0.00 0.00 58.87 56.21 1gwp n SER 146 Cb 0.22 -1.51 0.15 0.00 -0.75 0.00 0.00 64.21 62.31 1gwp n SER 146 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1gwp s PRO 147 N -5.66 0.86 -0.38 -1.46 0.04 -1.26 -5.04 135.00 122.09 1gwp s PRO 147 Ca 0.15 0.17 0.05 0.00 0.04 0.00 0.00 61.00 61.41 1gwp s PRO 147 Cb -0.08 -1.82 0.30 0.00 0.04 0.00 0.00 34.50 32.94 1gwp s PRO 147 CO 0.88 -2.37 1.25 -2.37 0.04 0.00 0.00 177.00 174.43 1gwp n THR 148 N -3.86 0.00 -3.67 1.26 5.66 -1.26 -5.14 114.28 107.27 1gwp n THR 148 Ca 0.08 -1.08 0.01 0.00 -3.05 0.00 0.00 64.05 60.01 1gwp n THR 148 Cb 0.59 1.16 -0.00 0.00 -1.55 0.00 0.00 70.33 70.53 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 -0.73 -0.06 0.93 1.09 0.15 -1.26 -5.17 113.70 108.65 1gwp s SER 149 Ca 0.19 -0.18 -0.14 0.00 0.70 0.00 0.00 55.95 56.52 1gwp s SER 149 Cb 0.28 0.20 0.16 0.00 -1.71 0.00 0.00 66.02 64.94 1gwp s SER 149 CO -0.11 -0.37 1.20 0.27 1.20 0.00 0.00 173.24 175.44 1gwp s ILE 150 N -2.46 1.96 -1.73 6.45 -4.36 -1.26 -5.22 121.20 114.57 1gwp s ILE 150 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.55 1gwp s ILE 150 Cb 0.04 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.87 1gwp s ILE 150 CO -0.03 0.00 0.43 0.00 0.24 0.00 0.00 174.94 175.59