#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 2.88 0.24 0.52 1.01 -1.25 -1.55 121.20 123.05 1gwp s ILE 2 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 60.65 59.05 1gwp s ILE 2 Cb 0.00 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1gwp s ILE 2 CO 0.00 -0.01 -0.05 0.68 0.00 0.00 0.00 174.94 175.56 1gwp s VAL 3 N -1.43 1.36 -0.23 2.92 -7.23 0.80 -4.90 120.40 111.68 1gwp s VAL 3 Ca 0.21 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1gwp s VAL 3 Cb -0.09 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1gwp s VAL 3 CO 0.12 -0.40 0.02 -1.58 -0.31 0.00 0.00 175.10 172.95 1gwp s GLN 4 N -3.77 3.58 1.00 4.82 0.74 -1.26 -1.51 119.66 123.25 1gwp s GLN 4 Ca 0.27 -0.52 -0.15 0.00 0.05 0.00 0.00 55.36 55.00 1gwp s GLN 4 Cb 0.04 -3.19 0.12 0.00 1.10 0.00 0.00 33.01 31.08 1gwp s GLN 4 CO 0.09 -0.14 0.07 0.09 -0.55 0.00 0.00 175.29 174.85 1gwp n ASN 5 N 4.73 -2.82 0.02 6.67 3.02 0.18 -4.89 115.26 122.16 1gwp n ASN 5 Ca -0.17 -0.28 -0.20 0.00 -0.03 0.00 0.00 54.58 53.90 1gwp n ASN 5 Cb 0.51 -0.76 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 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 -2.38 0.37 0.92 3.41 3.38 -1.99 -3.38 115.31 115.65 1gwp h LEU 6 Ca -0.30 -0.89 -0.05 0.00 0.09 0.00 0.00 57.88 56.73 1gwp h LEU 6 Cb 0.89 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1gwp h LEU 6 CO 0.19 1.46 -0.44 1.56 0.09 0.00 0.00 178.44 181.30 1gwp h GLN 7 N -0.43 -1.19 0.00 1.13 7.50 -2.06 -3.47 115.11 116.59 1gwp h GLN 7 Ca -0.21 0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.03 1gwp h GLN 7 Cb 1.62 0.27 0.00 0.00 0.05 0.00 0.00 27.48 29.42 1gwp h GLN 7 CO 0.08 -0.80 0.00 0.41 -1.50 0.00 0.00 178.83 177.03 1gwp n GLY 8 N -1.38 -1.29 3.37 3.46 0.00 -1.26 -5.19 105.19 102.90 1gwp n GLY 8 Ca -0.15 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 1gwp n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gwp s GLN 9 N 0.00 1.09 -0.22 1.61 -1.52 -1.26 -4.97 119.66 114.39 1gwp s GLN 9 Ca 0.00 -0.45 -0.06 0.00 -1.95 0.00 0.00 55.36 52.90 1gwp s GLN 9 Cb 0.00 0.49 -0.03 0.00 -0.22 0.00 0.00 33.01 33.25 1gwp s GLN 9 CO 0.00 -0.42 0.03 -1.64 -0.25 0.00 0.00 175.29 173.01 1gwp s MET 10 N -3.18 3.66 0.05 2.91 -1.94 -1.26 0.48 119.30 120.01 1gwp s MET 10 Ca -0.01 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 1gwp s MET 10 Cb 0.00 -3.19 -0.03 0.00 2.01 0.00 0.00 34.83 33.63 1gwp s MET 10 CO -0.08 -0.05 -0.05 0.14 -0.01 0.00 0.00 175.02 174.97 1gwp s VAL 11 N 1.21 0.38 0.29 -6.03 -7.23 -0.57 -4.97 120.40 103.49 1gwp s VAL 11 Ca 0.04 -1.37 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 1gwp s VAL 11 Cb -0.14 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 1gwp s VAL 11 CO 0.02 -0.65 0.57 -1.38 -0.31 0.00 0.00 175.10 173.35 1gwp s HIS 12 N -2.43 3.47 -0.30 2.82 -3.43 -1.26 -0.14 115.29 114.03 1gwp s HIS 12 Ca -0.03 0.68 0.07 0.00 -0.80 0.00 0.00 55.06 54.97 1gwp s HIS 12 Cb -0.03 -2.13 0.46 0.00 -1.43 0.00 0.00 32.58 29.45 1gwp s HIS 12 CO -0.03 0.16 1.21 0.94 -2.00 0.00 0.00 174.74 175.01 1gwp n GLN 13 N -0.93 3.56 -0.16 -0.38 7.27 -0.59 -4.82 117.38 121.32 1gwp n GLN 13 Ca -0.01 -4.13 0.02 0.00 0.07 0.00 0.00 57.00 52.95 1gwp n GLN 13 Cb 0.54 -2.27 -0.01 0.00 2.41 0.00 0.00 30.24 30.92 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 -0.72 -0.84 -2.27 1.69 0.00 -1.26 -4.81 120.51 112.29 1gwp n ALA 14 Ca 0.44 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 1gwp n ALA 14 Cb 0.96 -0.25 0.09 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.01 0.00 -4.54 0.00 3.06 -1.26 -4.06 119.36 111.55 1gwp n ILE 15 Ca 0.00 -0.93 -0.25 0.00 -2.50 0.00 0.00 62.75 59.08 1gwp n ILE 15 Cb 0.07 -1.21 -0.14 0.00 0.54 0.00 0.00 39.64 38.90 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 -3.75 2.46 0.14 9.51 0.15 -1.26 -5.04 113.70 115.91 1gwp s SER 16 Ca 0.44 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 56.48 1gwp s SER 16 Cb -0.02 -0.18 -0.07 0.00 -1.71 0.00 0.00 66.02 64.04 1gwp s SER 16 CO 0.30 0.13 1.33 1.55 1.20 0.00 0.00 173.24 177.75 1gwp h PRO 17 N 4.67 0.47 -0.11 5.44 0.13 -1.99 -1.67 132.00 138.94 1gwp h PRO 17 Ca -0.43 -0.46 -0.10 0.00 -0.87 0.00 0.00 66.00 64.14 1gwp h PRO 17 Cb 1.17 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1gwp h PRO 17 CO 0.43 1.10 -0.40 0.00 -0.23 0.00 0.00 178.00 178.90 1gwp h ARG 18 N 0.29 0.23 -0.00 0.86 3.08 -1.97 0.38 114.38 117.24 1gwp h ARG 18 Ca -0.07 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1gwp h ARG 18 Cb 1.49 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1gwp h ARG 18 CO 0.16 0.60 -0.03 1.15 -1.07 0.00 0.00 179.97 180.77 1gwp h THR 19 N 0.19 1.58 -0.61 2.04 2.02 -1.97 -1.32 112.91 114.85 1gwp h THR 19 Ca 0.02 -1.75 -0.07 0.00 0.77 0.00 0.00 66.41 65.39 1gwp h THR 19 Cb 0.79 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.93 1gwp h THR 19 CO 0.06 0.46 0.12 -0.07 0.37 0.00 0.00 175.52 176.46 1gwp h LEU 20 N -0.69 0.95 0.91 2.58 3.38 -1.27 0.96 115.31 122.13 1gwp h LEU 20 Ca -0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1gwp h LEU 20 Cb 0.77 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1gwp h LEU 20 CO 0.01 0.95 -0.45 -1.13 0.09 0.00 0.00 178.44 177.91 1gwp h ASN 21 N 0.90 -1.09 -0.71 -0.43 -0.73 -0.31 0.21 115.58 113.43 1gwp h ASN 21 Ca 0.19 0.04 0.12 0.00 1.87 0.00 0.00 56.30 58.52 1gwp h ASN 21 Cb 0.40 0.29 -0.08 0.00 0.27 0.00 0.00 38.32 39.19 1gwp h ASN 21 CO 0.01 -0.76 0.29 0.00 -0.37 0.00 0.00 177.43 176.60 1gwp h ALA 22 N -1.16 0.96 0.34 1.57 0.00 -1.18 -0.08 119.26 119.72 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 0.96 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1gwp h ALA 22 CO 0.19 -0.18 -0.44 2.35 0.00 0.00 0.00 179.25 181.18 1gwp h TRP 23 N 0.46 -1.25 -0.98 0.00 2.91 -0.49 0.66 115.95 117.26 1gwp h TRP 23 Ca 0.37 0.02 0.31 0.00 1.13 0.00 0.00 58.89 60.72 1gwp h TRP 23 Cb 0.51 0.50 -0.15 0.00 -0.51 0.00 0.00 29.16 29.51 1gwp h TRP 23 CO -0.16 -0.56 0.50 0.28 -1.03 0.00 0.00 178.44 177.47 1gwp h VAL 24 N -0.81 0.29 -0.54 2.65 2.07 0.32 1.68 116.25 121.92 1gwp h VAL 24 Ca -0.04 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1gwp h VAL 24 Cb 0.73 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1gwp h VAL 24 CO -0.11 0.05 -0.09 0.11 0.02 0.00 0.00 177.57 177.55 1gwp h LYS 25 N 0.29 0.99 0.78 1.57 1.79 0.65 0.41 116.57 123.06 1gwp h LYS 25 Ca 0.70 -0.35 -0.04 0.00 -2.18 0.00 0.00 60.65 58.78 1gwp h LYS 25 Cb 1.58 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 32.16 1gwp h LYS 25 CO -0.62 1.03 -0.38 0.28 -1.08 0.00 0.00 179.45 178.68 1gwp h VAL 26 N 0.89 0.20 -0.96 0.50 2.07 0.82 0.16 116.25 119.92 1gwp h VAL 26 Ca 0.14 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1gwp h VAL 26 Cb 0.64 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1gwp h VAL 26 CO 0.04 0.01 0.64 0.58 0.02 0.00 0.00 177.57 178.86 1gwp h VAL 27 N -1.10 1.22 -0.27 2.57 2.07 -0.57 0.34 116.25 120.51 1gwp h VAL 27 Ca -0.11 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1gwp h VAL 27 Cb 0.82 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1gwp h VAL 27 CO 0.18 0.23 0.17 -0.33 0.02 0.00 0.00 177.57 177.84 1gwp h GLU 28 N 1.27 0.36 0.00 1.57 5.08 0.11 1.76 114.58 124.73 1gwp h GLU 28 Ca 0.36 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1gwp h GLU 28 Cb -0.09 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1gwp h GLU 28 CO -0.09 0.25 -0.07 1.49 -1.00 0.00 0.00 179.01 179.59 1gwp h GLU 29 N 0.37 0.00 0.00 2.33 4.81 0.11 -3.43 114.58 118.77 1gwp h GLU 29 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1gwp h GLU 29 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1gwp h GLU 29 CO -0.02 0.81 0.00 1.63 -0.73 0.00 0.00 179.01 180.70 1gwp n LYS 30 N -4.63 0.00 -0.81 1.92 4.01 0.10 -4.97 118.16 113.78 1gwp n LYS 30 Ca -0.09 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1gwp n LYS 30 Cb 0.40 -0.70 0.00 0.00 -0.51 0.00 0.00 35.03 34.22 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 -2.25 -1.33 -2.92 7.82 0.00 0.60 -4.81 120.51 117.62 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 0.01 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 -0.37 -3.39 -4.61 0.00 3.01 -1.26 -5.05 117.46 105.79 1gwp n PHE 32 Ca 0.00 1.36 -0.30 0.00 1.01 0.00 0.00 57.45 59.53 1gwp n PHE 32 Cb 0.10 -3.93 -0.09 0.00 -0.01 0.00 0.00 39.48 35.55 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 -2.57 4.06 0.00 4.37 1.04 -1.26 -4.94 113.70 114.40 1gwp s SER 33 Ca 0.24 -1.46 0.24 0.00 0.48 0.00 0.00 55.95 55.45 1gwp s SER 33 Cb -0.06 0.01 1.40 0.00 0.10 0.00 0.00 66.02 67.47 1gwp s SER 33 CO 0.78 -0.65 1.80 -0.81 0.98 0.00 0.00 173.24 175.33 1gwp n PRO 34 N -1.15 0.70 -0.14 4.02 -0.04 -1.26 -2.12 135.00 135.01 1gwp n PRO 34 Ca -0.10 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.43 1gwp n PRO 34 Cb 0.67 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.75 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 2.25 -0.00 0.54 -0.58 -1.26 -4.47 120.64 116.08 1gwp n GLU 35 Ca 0.17 -2.28 0.04 0.00 -0.42 0.00 0.00 57.16 54.67 1gwp n GLU 35 Cb 0.10 -1.41 -0.06 0.00 -0.57 0.00 0.00 31.44 29.50 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1gwp n VAL 36 N -0.78 0.00 -0.21 2.62 0.31 -0.90 -4.20 118.33 115.17 1gwp n VAL 36 Ca 0.12 -0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.16 1gwp n VAL 36 Cb 0.56 0.46 0.03 0.00 -0.91 0.00 0.00 33.84 33.98 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 1.24 -0.04 2.52 1.08 -1.78 0.11 117.51 120.64 1gwp h ILE 37 Ca 0.00 -0.79 -0.23 0.00 -0.39 0.00 0.00 64.86 63.45 1gwp h ILE 37 Cb 0.35 0.63 0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1gwp h ILE 37 CO 0.00 0.30 -0.90 1.55 -0.69 0.00 0.00 178.15 178.42 1gwp h PRO 38 N 0.84 0.53 -0.43 2.37 0.13 -1.85 -1.71 132.00 131.87 1gwp h PRO 38 Ca 0.19 -0.52 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1gwp h PRO 38 Cb 0.26 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1gwp h PRO 38 CO -0.01 1.15 -0.03 0.52 -0.23 0.00 0.00 178.00 179.40 1gwp h MET 39 N 0.32 0.72 -0.03 0.86 2.86 -1.68 -0.59 114.93 117.40 1gwp h MET 39 Ca -0.08 -0.20 -0.14 0.00 -2.06 0.00 0.00 59.70 57.23 1gwp h MET 39 Cb 1.52 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 33.11 1gwp h MET 39 CO 0.16 0.75 -0.52 0.35 1.06 0.00 0.00 176.91 178.72 1gwp h PHE 40 N 0.67 0.58 -0.53 -0.22 3.57 -0.77 -0.26 116.94 119.98 1gwp h PHE 40 Ca 0.13 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 1gwp h PHE 40 Cb 0.46 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1gwp h PHE 40 CO 0.02 1.09 0.31 0.66 -2.23 0.00 0.00 178.31 178.17 1gwp h SER 41 N -0.10 0.63 -0.01 0.41 4.64 -1.20 0.31 113.55 118.23 1gwp h SER 41 Ca -0.06 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1gwp h SER 41 Cb 1.22 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1gwp h SER 41 CO 0.10 0.50 -0.29 0.00 -0.87 0.00 0.00 176.83 176.27 1gwp h ALA 42 N 1.61 0.05 -0.06 5.18 0.00 -1.11 -1.95 119.26 122.98 1gwp h ALA 42 Ca 0.19 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1gwp h ALA 42 Cb -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gwp h ALA 42 CO -0.04 0.12 0.05 -0.07 0.00 0.00 0.00 179.25 179.31 1gwp h LEU 43 N -0.40 0.00 -3.94 0.00 3.38 -0.59 -1.02 115.31 112.74 1gwp h LEU 43 Ca -0.03 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.33 1gwp h LEU 43 Cb 1.01 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.39 1gwp h LEU 43 CO 0.06 0.00 -0.20 -0.24 0.09 0.00 0.00 178.44 178.15 1gwp n SER 44 N -4.45 5.89 -0.17 -0.43 2.88 0.10 -4.78 113.62 112.67 1gwp n SER 44 Ca -0.02 -3.76 -0.02 0.00 -1.33 0.00 0.00 58.87 53.74 1gwp n SER 44 Cb 0.15 -0.58 0.05 0.00 -0.75 0.00 0.00 64.21 63.08 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 2.19 0.04 -1.22 -1.46 4.39 -0.36 -3.31 114.58 114.84 1gwp h GLU 45 Ca 0.45 -0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.76 1gwp h GLU 45 Cb 1.20 -0.01 -0.31 0.00 -0.10 0.00 0.00 28.75 29.53 1gwp h GLU 45 CO 1.06 0.02 -0.91 0.41 -1.16 0.00 0.00 179.01 178.43 1gwp n GLY 46 N -1.35 2.43 3.94 -3.84 0.00 -1.26 -4.61 105.19 100.50 1gwp n GLY 46 Ca 0.05 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.43 3.61 0.67 4.61 0.00 -1.25 -3.84 121.76 124.13 1gwp s ALA 47 Ca 0.33 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1gwp s ALA 47 Cb 0.33 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1gwp s ALA 47 CO -0.07 -0.49 0.12 0.25 0.00 0.00 0.00 175.76 175.58 1gwp n THR 48 N -2.22 0.00 0.06 0.00 -2.24 -1.26 -4.72 114.28 103.89 1gwp n THR 48 Ca 0.02 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1gwp n THR 48 Cb 0.57 -1.59 -0.02 0.00 -2.10 0.00 0.00 70.33 67.19 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 0.44 -0.04 -0.78 0.13 -1.94 -1.48 132.00 128.33 1gwp h PRO 49 Ca -0.04 -0.42 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 1gwp h PRO 49 Cb 0.13 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1gwp h PRO 49 CO 0.04 1.08 -0.76 0.37 -0.23 0.00 0.00 178.00 178.49 1gwp h GLN 50 N 0.27 0.28 0.38 0.86 5.75 -1.97 -1.02 115.11 119.66 1gwp h GLN 50 Ca -0.06 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.17 1gwp h GLN 50 Cb 1.48 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.09 1gwp h GLN 50 CO 0.15 0.91 -0.18 0.22 -2.65 0.00 0.00 178.83 177.28 1gwp h ASP 51 N 0.18 -0.44 -0.69 -0.69 1.82 -1.93 0.86 116.42 115.55 1gwp h ASP 51 Ca -0.03 -0.10 0.09 0.00 -0.39 0.00 0.00 57.03 56.59 1gwp h ASP 51 Cb 1.33 0.11 -0.07 0.00 0.68 0.00 0.00 39.33 41.39 1gwp h ASP 51 CO 0.12 0.00 0.34 -0.07 -1.61 0.00 0.00 179.24 178.02 1gwp h LEU 52 N -1.02 0.43 -1.09 2.28 3.38 -1.35 0.35 115.31 118.29 1gwp h LEU 52 Ca -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1gwp h LEU 52 Cb 0.51 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1gwp h LEU 52 CO 0.09 0.25 0.27 -1.13 0.09 0.00 0.00 178.44 178.01 1gwp h ASN 53 N 0.58 0.83 -0.23 -0.43 -1.24 -1.20 0.05 115.58 113.94 1gwp h ASN 53 Ca 0.34 -0.10 -0.03 0.00 0.71 0.00 0.00 56.30 57.21 1gwp h ASN 53 Cb 0.35 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1gwp h ASN 53 CO -0.27 0.73 0.01 0.74 -1.29 0.00 0.00 177.43 177.36 1gwp h THR 54 N 0.90 1.25 -0.20 -3.57 2.02 0.18 0.23 112.91 113.71 1gwp h THR 54 Ca 0.22 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1gwp h THR 54 Cb 0.15 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1gwp h THR 54 CO -0.02 0.27 -0.04 -0.03 0.37 0.00 0.00 175.52 176.06 1gwp h MET 55 N 0.17 0.31 -0.03 6.66 1.85 -0.04 0.38 114.93 124.24 1gwp h MET 55 Ca 0.07 -0.06 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 1gwp h MET 55 Cb 0.38 -0.05 0.01 0.00 0.43 0.00 0.00 31.60 32.37 1gwp h MET 55 CO 0.01 0.37 -0.47 -0.07 -0.40 0.00 0.00 176.91 176.35 1gwp h LEU 56 N 0.30 0.46 -1.64 3.39 3.38 -0.73 -3.05 115.31 117.41 1gwp h LEU 56 Ca 0.07 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 1gwp h LEU 56 Cb 0.27 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1gwp h LEU 56 CO 0.01 1.12 -0.05 0.78 0.09 0.00 0.00 178.44 180.39 1gwp h ASN 57 N -0.16 0.00 -0.58 -0.43 4.21 -0.19 -2.57 115.58 115.85 1gwp h ASN 57 Ca -0.05 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.37 1gwp h ASN 57 Cb 1.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 1gwp h ASN 57 CO 0.09 0.05 0.00 0.74 -1.29 0.00 0.00 177.43 177.03 1gwp h THR 58 N 0.00 1.27 -1.67 2.81 2.02 -0.14 -3.45 112.91 113.75 1gwp h THR 58 Ca -0.00 -1.14 -0.42 0.00 0.77 0.00 0.00 66.41 65.62 1gwp h THR 58 Cb 0.47 0.85 0.22 0.00 -1.74 0.00 0.00 68.15 67.95 1gwp h THR 58 CO 0.01 0.41 -1.63 0.55 0.37 0.00 0.00 175.52 175.23 1gwp n VAL 59 N -4.22 0.00 0.06 3.16 3.14 -0.97 -4.84 118.33 114.66 1gwp n VAL 59 Ca 0.02 -0.14 -0.12 0.00 -2.96 0.00 0.00 64.34 61.15 1gwp n VAL 59 Cb 0.34 -0.32 -0.05 0.00 -1.06 0.00 0.00 33.84 32.75 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 -1.71 -0.51 0.00 7.55 0.00 -1.87 -3.47 103.07 103.07 1gwp h GLY 60 Ca -0.42 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1gwp h GLY 60 CO 0.27 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1gwp n GLY 61 N -1.41 0.28 3.64 4.60 0.00 -1.26 -5.11 105.19 105.93 1gwp n GLY 61 Ca -0.05 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1gwp n GLY 61 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gwp s HIS 62 N 0.00 3.17 0.18 1.61 3.76 -1.26 -4.91 115.29 117.83 1gwp s HIS 62 Ca 0.00 1.18 -0.08 0.00 -0.15 0.00 0.00 55.06 56.01 1gwp s HIS 62 Cb 0.00 -3.62 0.06 0.00 1.11 0.00 0.00 32.58 30.13 1gwp s HIS 62 CO 0.00 -0.73 1.55 0.37 -0.85 0.00 0.00 174.74 175.08 1gwp h GLN 63 N 8.05 0.86 0.01 1.40 5.75 -1.99 0.19 115.11 129.38 1gwp h GLN 63 Ca -0.21 -0.41 -0.00 0.00 -0.15 0.00 0.00 58.65 57.89 1gwp h GLN 63 Cb 1.06 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.60 1gwp h GLN 63 CO 1.02 1.05 -0.00 0.00 -2.65 0.00 0.00 178.83 178.24 1gwp h ALA 64 N 0.92 -0.01 0.34 3.38 0.00 -1.98 0.40 119.26 122.31 1gwp h ALA 64 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1gwp h ALA 64 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1gwp h ALA 64 CO 0.08 -0.34 -0.17 0.00 0.00 0.00 0.00 179.25 178.83 1gwp h ALA 65 N 0.64 -0.46 -0.80 0.00 0.00 -1.96 -1.29 119.26 115.39 1gwp h ALA 65 Ca -0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1gwp h ALA 65 Cb 0.34 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1gwp h ALA 65 CO 0.00 -0.76 0.53 0.52 0.00 0.00 0.00 179.25 179.54 1gwp h MET 66 N -0.46 0.91 0.33 0.00 2.07 -0.63 -0.81 114.93 116.34 1gwp h MET 66 Ca -0.05 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.52 1gwp h MET 66 Cb 0.36 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 1gwp h MET 66 CO 0.08 0.60 -0.23 0.37 1.07 0.00 0.00 176.91 178.79 1gwp h GLN 67 N 0.93 -0.54 -0.75 1.72 5.75 0.31 0.58 115.11 123.11 1gwp h GLN 67 Ca 0.33 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.88 1gwp h GLN 67 Cb 0.13 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1gwp h GLN 67 CO -0.11 -0.36 0.49 0.52 -2.65 0.00 0.00 178.83 176.73 1gwp h MET 68 N -0.56 0.97 -0.42 1.69 2.86 -0.80 -0.62 114.93 118.04 1gwp h MET 68 Ca -0.03 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1gwp h MET 68 Cb 0.48 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1gwp h MET 68 CO 0.01 0.64 0.07 1.25 1.06 0.00 0.00 176.91 179.94 1gwp h LEU 69 N 1.00 0.60 -0.17 1.22 5.85 -0.67 -0.00 115.31 123.14 1gwp h LEU 69 Ca 0.28 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1gwp h LEU 69 Cb -0.09 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 1gwp h LEU 69 CO -0.06 0.63 -0.09 0.50 -0.34 0.00 0.00 178.44 179.08 1gwp h LYS 70 N 0.63 0.35 -0.25 1.25 3.11 0.53 -0.27 116.57 121.91 1gwp h LYS 70 Ca 0.14 -0.16 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1gwp h LYS 70 Cb 0.29 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.49 1gwp h LYS 70 CO 0.00 0.67 0.09 1.49 -2.81 0.00 0.00 179.45 178.89 1gwp h GLU 71 N 0.02 0.20 0.94 1.90 4.57 -0.77 0.24 114.58 121.68 1gwp h GLU 71 Ca 0.04 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1gwp h GLU 71 Cb 0.57 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1gwp h GLU 71 CO 0.03 0.13 -0.45 1.15 -1.18 0.00 0.00 179.01 178.69 1gwp h THR 72 N 0.21 0.00 -0.73 0.32 2.02 -0.97 0.98 112.91 114.74 1gwp h THR 72 Ca 0.11 -0.01 0.16 0.00 0.77 0.00 0.00 66.41 67.44 1gwp h THR 72 Cb 0.07 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.36 1gwp h THR 72 CO -0.11 0.00 0.07 0.40 0.37 0.00 0.00 175.52 176.25 1gwp h ILE 73 N -1.28 0.42 -0.44 3.11 2.04 -0.95 1.17 117.51 121.59 1gwp h ILE 73 Ca -0.13 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1gwp h ILE 73 Cb 0.97 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1gwp h ILE 73 CO 0.21 0.03 0.29 -1.13 0.00 0.00 0.00 178.15 177.55 1gwp h ASN 74 N 0.16 0.48 0.63 1.72 -1.24 -0.30 -1.50 115.58 115.52 1gwp h ASN 74 Ca 0.40 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.37 1gwp h ASN 74 Cb 0.70 -0.12 0.01 0.00 0.73 0.00 0.00 38.32 39.64 1gwp h ASN 74 CO -0.59 0.34 -0.30 -0.08 -1.29 0.00 0.00 177.43 175.51 1gwp h GLU 75 N 0.56 -0.82 -0.88 6.67 4.81 0.39 -0.89 114.58 124.43 1gwp h GLU 75 Ca 0.17 0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.68 1gwp h GLU 75 Cb -0.02 0.19 -0.14 0.00 0.63 0.00 0.00 28.75 29.41 1gwp h GLU 75 CO -0.04 -0.54 0.28 1.49 -0.73 0.00 0.00 179.01 179.47 1gwp h GLU 76 N -1.06 0.25 -0.19 1.92 4.57 -0.72 0.44 114.58 119.79 1gwp h GLU 76 Ca -0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1gwp h GLU 76 Cb 0.65 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1gwp h GLU 76 CO 0.14 0.17 0.13 0.00 -1.18 0.00 0.00 179.01 178.26 1gwp h ALA 77 N 1.76 0.24 -0.44 2.92 0.00 -1.21 -0.08 119.26 122.44 1gwp h ALA 77 Ca 0.55 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.53 1gwp h ALA 77 Cb 1.10 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1gwp h ALA 77 CO -0.61 -0.27 -0.03 0.00 0.00 0.00 0.00 179.25 178.33 1gwp h ALA 78 N 1.07 0.38 -0.80 0.00 0.00 0.13 0.14 119.26 120.18 1gwp h ALA 78 Ca 0.07 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1gwp h ALA 78 Cb -0.02 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1gwp h ALA 78 CO -0.02 -0.41 0.53 0.93 0.00 0.00 0.00 179.25 180.28 1gwp h GLU 79 N 0.08 1.03 -0.21 0.00 5.08 -0.56 -0.21 114.58 119.78 1gwp h GLU 79 Ca 0.22 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1gwp h GLU 79 Cb 0.33 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1gwp h GLU 79 CO -0.40 0.68 0.05 2.35 -1.00 0.00 0.00 179.01 180.70 1gwp h TRP 80 N 1.06 0.09 -0.72 4.33 2.91 0.11 0.47 115.95 124.20 1gwp h TRP 80 Ca 0.30 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.33 1gwp h TRP 80 Cb -0.09 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.52 1gwp h TRP 80 CO -0.00 0.04 0.43 0.22 -1.03 0.00 0.00 178.44 178.10 1gwp h ASP 81 N 0.14 0.86 -0.61 2.65 3.58 -0.20 1.63 116.42 124.47 1gwp h ASP 81 Ca 0.09 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 1gwp h ASP 81 Cb 0.08 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 1gwp h ASP 81 CO -0.11 0.66 0.05 -0.09 -2.88 0.00 0.00 179.24 176.87 1gwp h ARG 82 N 0.99 1.06 0.00 0.28 2.43 0.36 -3.34 114.38 116.16 1gwp h ARG 82 Ca 0.26 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1gwp h ARG 82 Cb -0.04 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1gwp h ARG 82 CO -0.05 1.00 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.32 1gwp h LEU 83 N 0.98 0.00-10.14 3.80 3.38 0.83 -3.47 115.31 110.69 1gwp h LEU 83 Ca 0.18 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.65 1gwp h LEU 83 Cb 0.49 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.33 1gwp h LEU 83 CO 0.02 0.14 0.40 -1.00 0.09 0.00 0.00 178.44 178.09 1gwp s HIS 84 N -1.17 2.65 0.00 1.13 3.76 0.55 -5.04 115.29 117.16 1gwp s HIS 84 Ca -0.01 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 1gwp s HIS 84 Cb 0.00 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1gwp s HIS 84 CO 0.01 -1.63 0.00 -0.35 -0.85 0.00 0.00 174.74 171.92 1gwp n PRO 85 N -1.85 0.32 -2.12 8.40 -0.04 -1.26 -4.39 135.00 134.06 1gwp n PRO 85 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1gwp n PRO 85 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1gwp n PRO 85 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1gwp n VAL 86 N -1.16-12.87 -3.87 0.52 0.24 -1.26 -4.61 118.33 95.31 1gwp n VAL 86 Ca 0.00 3.11 -0.09 0.00 -2.04 0.00 0.00 64.34 65.32 1gwp n VAL 86 Cb 0.00 -5.65 -0.06 0.00 -1.47 0.00 0.00 33.84 26.66 1gwp n VAL 86 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1gwp s HIS 87 N -0.52 0.21 -0.08 6.34 5.04 -1.26 -4.65 115.29 120.36 1gwp s HIS 87 Ca 0.00 -0.57 -0.01 0.00 -1.54 0.00 0.00 55.06 52.93 1gwp s HIS 87 Cb 0.00 0.06 0.01 0.00 0.04 0.00 0.00 32.58 32.68 1gwp s HIS 87 CO 0.00 -0.73 0.03 0.00 -2.34 0.00 0.00 174.74 171.70 1gwp n ALA 88 N -0.21 -2.24 0.00 1.58 0.00 -1.26 -4.97 120.51 113.41 1gwp n ALA 88 Ca -0.10 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1gwp n ALA 88 Cb 0.63 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1gwp n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwp n GLY 89 N 1.52 3.02 2.29 0.00 0.00 -1.26 -4.95 105.19 105.81 1gwp n GLY 89 Ca -0.05 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 2.08 -0.30 1.61 -0.04 -1.26 -4.91 135.00 132.19 1gwp n PRO 90 Ca 0.00 -1.22 0.04 0.00 -0.04 0.00 0.00 63.50 62.28 1gwp n PRO 90 Cb 0.00 -2.21 -0.01 0.00 -0.04 0.00 0.00 33.50 31.24 1gwp n PRO 90 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1gwp n ILE 91 N 3.23 0.00 -3.19 0.52 0.13 -1.26 -4.73 119.36 114.06 1gwp n ILE 91 Ca 0.45 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.80 1gwp n ILE 91 Cb 0.45 -0.10 -0.03 0.00 -0.84 0.00 0.00 39.64 39.12 1gwp n ILE 91 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1gwp s ALA 92 N -1.45 3.53 -1.10 1.51 0.00 -1.26 -4.98 121.76 118.01 1gwp s ALA 92 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 51.33 1gwp s ALA 92 Cb 0.00 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 1gwp s ALA 92 CO 0.00 0.18 1.76 -1.25 0.00 0.00 0.00 175.76 176.46 1gwp s PRO 93 N -3.58 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 131.47 1gwp s PRO 93 Ca 0.47 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1gwp s PRO 93 Cb -0.11 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1gwp s PRO 93 CO 0.29 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1gwp n GLY 94 N 6.26 0.20 3.73 0.56 0.00 -1.26 -5.13 105.19 109.56 1gwp n GLY 94 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 2.94 -0.30 1.61 -1.52 -0.79 -5.09 119.66 116.51 1gwp s GLN 95 Ca 0.00 -0.53 0.02 0.00 -1.95 0.00 0.00 55.36 52.90 1gwp s GLN 95 Cb 0.00 -2.77 0.08 0.00 -0.22 0.00 0.00 33.01 30.10 1gwp s GLN 95 CO 0.00 0.64 0.01 1.41 -0.25 0.00 0.00 175.29 177.11 1gwp s MET 96 N -1.57 1.47 0.47 2.91 1.75 -1.26 -4.53 119.30 118.55 1gwp s MET 96 Ca 0.20 -1.43 0.02 0.00 -1.25 0.00 0.00 55.69 53.22 1gwp s MET 96 Cb -0.12 -2.78 -0.01 0.00 2.84 0.00 0.00 34.83 34.76 1gwp s MET 96 CO 0.11 -0.81 0.06 0.54 -0.65 0.00 0.00 175.02 174.27 1gwp n ARG 97 N 4.49 0.69 -1.62 4.11 5.12 -1.26 -5.07 116.66 123.12 1gwp n ARG 97 Ca -0.04 -3.63 -0.48 0.00 -1.93 0.00 0.00 57.85 51.77 1gwp n ARG 97 Cb 0.42 1.35 -0.05 0.00 -1.16 0.00 0.00 32.46 33.03 1gwp n ARG 97 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1gwp n GLU 98 N -1.14 1.92 -2.17 5.56 2.13 -1.26 -4.93 120.64 120.76 1gwp n GLU 98 Ca -0.15 0.65 -0.33 0.00 0.66 0.00 0.00 57.16 57.99 1gwp n GLU 98 Cb 0.64 -2.72 -0.00 0.00 0.27 0.00 0.00 31.44 29.63 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1gwp s PRO 99 N 4.95 3.47 -0.43 5.31 0.04 -1.26 -4.77 135.00 142.30 1gwp s PRO 99 Ca 0.98 1.21 0.04 0.00 0.04 0.00 0.00 61.00 63.27 1gwp s PRO 99 Cb -0.66 -2.05 0.65 0.00 0.04 0.00 0.00 34.50 32.47 1gwp s PRO 99 CO 0.48 -0.69 1.87 2.89 0.04 0.00 0.00 177.00 181.59 1gwp n ARG 100 N -1.80 2.20 0.00 4.56 0.00 -1.26 -4.87 116.66 115.50 1gwp n ARG 100 Ca 0.09 -3.04 0.00 0.00 -0.00 0.00 0.00 57.85 54.90 1gwp n ARG 100 Cb 0.53 -2.14 0.00 0.00 -0.00 0.00 0.00 32.46 30.85 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 -1.15 2.13 0.35 2.89 0.00 -1.26 -2.83 105.19 105.32 1gwp n GLY 101 Ca 0.57 -0.34 0.28 0.00 0.00 0.00 0.00 46.02 46.53 1gwp n GLY 101 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1gwp h SER 102 N 0.00 0.43 -0.63 1.61 0.87 -1.91 1.71 113.55 115.62 1gwp h SER 102 Ca 0.00 0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1gwp h SER 102 Cb 0.00 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1gwp h SER 102 CO 0.00 -0.23 0.27 -0.78 -0.53 0.00 0.00 176.83 175.57 1gwp h ASP 103 N 0.20 0.85 0.00 6.23 3.58 -1.94 -0.31 116.42 125.04 1gwp h ASP 103 Ca 0.78 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 58.07 1gwp h ASP 103 Cb 1.94 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.77 1gwp h ASP 103 CO -0.63 0.77 0.15 0.40 -2.88 0.00 0.00 179.24 177.06 1gwp h ILE 104 N 0.88 0.00 0.00 2.25 2.04 0.22 1.12 117.51 124.02 1gwp h ILE 104 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 1gwp h ILE 104 Cb 0.17 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1gwp h ILE 104 CO -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 177.98 1gwp h ALA 105 N 1.66 0.91 -0.09 1.87 0.00 -0.59 -3.44 119.26 119.59 1gwp h ALA 105 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1gwp h ALA 105 Cb 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1gwp h ALA 105 CO 0.00 0.18 -0.04 0.41 0.00 0.00 0.00 179.25 179.81 1gwp n GLY 106 N 1.01 0.55 0.10 0.00 0.00 0.39 -4.90 105.19 102.34 1gwp n GLY 106 Ca 0.03 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 1.49 0.00 2.61 2.02 -1.74 -3.35 112.91 113.94 1gwp h THR 107 Ca -0.04 -3.07 -0.24 0.00 0.77 0.00 0.00 66.41 63.84 1gwp h THR 107 Cb 0.20 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 1gwp h THR 107 CO 0.06 0.89 -2.19 0.41 0.37 0.00 0.00 175.52 175.06 1gwp n THR 108 N -3.53 0.89 -4.28 3.16 -1.04 -1.26 -4.98 114.28 103.24 1gwp n THR 108 Ca -0.09 -0.70 -0.23 0.00 -2.04 0.00 0.00 64.05 60.99 1gwp n THR 108 Cb 1.02 -0.32 -0.08 0.00 -1.82 0.00 0.00 70.33 69.13 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 -5.04 4.40 0.58 8.00 1.04 -1.26 -5.10 113.70 116.33 1gwp s SER 109 Ca -0.09 -0.79 0.10 0.00 0.48 0.00 0.00 55.95 55.64 1gwp s SER 109 Cb 0.08 -0.69 0.10 0.00 0.10 0.00 0.00 66.02 65.60 1gwp s SER 109 CO 0.81 -0.12 0.80 0.35 0.98 0.00 0.00 173.24 176.05 1gwp n THR 110 N -0.94 0.00 0.04 2.02 -2.24 -1.26 -4.41 114.28 107.49 1gwp n THR 110 Ca -0.05 -1.93 -0.11 0.00 -2.27 0.00 0.00 64.05 59.70 1gwp n THR 110 Cb 0.60 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.73 3.22 5.85 -1.99 -0.71 115.31 120.52 1gwp h LEU 111 Ca -0.27 0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.68 1gwp h LEU 111 Cb 1.24 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 42.34 1gwp h LEU 111 CO 0.39 -0.20 0.06 -0.61 -0.34 0.00 0.00 178.44 177.74 1gwp h GLN 112 N -0.23 0.15 -0.96 1.25 -0.00 -1.99 0.43 115.11 113.76 1gwp h GLN 112 Ca 0.06 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1gwp h GLN 112 Cb 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.71 1gwp h GLN 112 CO -0.16 0.10 0.58 1.49 0.00 0.00 0.00 178.83 180.84 1gwp h GLU 113 N 0.15 1.29 -0.31 1.69 4.57 -1.72 -0.89 114.58 119.37 1gwp h GLU 113 Ca 0.40 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.49 1gwp h GLU 113 Cb 0.70 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1gwp h GLU 113 CO -0.60 0.90 0.17 0.37 -1.18 0.00 0.00 179.01 178.67 1gwp h GLN 114 N 1.32 0.35 -0.44 1.92 -0.00 0.12 -0.71 115.11 117.66 1gwp h GLN 114 Ca 0.34 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.94 1gwp h GLN 114 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.31 1gwp h GLN 114 CO -0.07 0.23 0.15 0.82 0.00 0.00 0.00 178.83 179.97 1gwp h ILE 115 N 0.36 1.18 0.38 2.39 5.03 -0.57 -1.29 117.51 124.98 1gwp h ILE 115 Ca 0.13 -0.58 -0.02 0.00 -0.12 0.00 0.00 64.86 64.27 1gwp h ILE 115 Cb 0.01 0.68 0.00 0.00 -3.03 0.00 0.00 36.82 34.48 1gwp h ILE 115 CO -0.07 0.22 -0.18 1.23 -0.68 0.00 0.00 178.15 178.67 1gwp h GLY 116 N 0.81 -0.53 0.64 5.37 0.00 -0.12 0.81 103.07 110.05 1gwp h GLY 116 Ca 0.15 0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.74 1gwp h GLY 116 CO -0.01 -0.19 0.39 1.49 0.00 0.00 0.00 176.54 178.21 1gwp h TRP 117 N -0.55 0.71 0.00 5.60 6.55 -0.91 0.66 115.95 128.01 1gwp h TRP 117 Ca -0.05 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1gwp h TRP 117 Cb 0.42 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1gwp h TRP 117 CO -0.04 0.32 0.00 1.98 -1.05 0.00 0.00 178.44 179.66 1gwp h MET 118 N 0.70 0.00 -0.24 0.49 4.05 -0.89 1.41 114.93 120.45 1gwp h MET 118 Ca 0.32 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.71 1gwp h MET 118 Cb 0.23 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1gwp h MET 118 CO -0.20 0.00 -0.01 2.41 0.23 0.00 0.00 176.91 179.34 1gwp n THR 119 N -2.59 2.27 -2.64 -0.77 -1.04 0.28 -4.52 114.28 105.26 1gwp n THR 119 Ca 0.02 -2.06 -0.22 0.00 -2.04 0.00 0.00 64.05 59.75 1gwp n THR 119 Cb 0.29 -0.26 0.07 0.00 -1.82 0.00 0.00 70.33 68.61 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 2.23 -0.27 -1.42 5.04 0.19 -4.90 115.29 113.26 1gwp s HIS 120 Ca 0.41 -0.17 0.00 0.00 -1.54 0.00 0.00 55.06 53.76 1gwp s HIS 120 Cb 0.34 -2.81 0.08 0.00 0.04 0.00 0.00 32.58 30.23 1gwp s HIS 120 CO 0.07 -1.24 0.02 -0.80 -2.34 0.00 0.00 174.74 170.45 1gwp s ASN 121 N -4.57 3.94 0.67 9.88 -0.87 -1.26 0.19 114.94 122.92 1gwp s ASN 121 Ca 0.61 -1.44 -0.12 0.00 -1.57 0.00 0.00 52.86 50.34 1gwp s ASN 121 Cb -0.08 -1.08 -0.00 0.00 -0.02 0.00 0.00 41.25 40.06 1gwp s ASN 121 CO 0.41 -0.32 1.06 -2.16 -2.57 0.00 0.00 177.10 173.51 1gwp s PRO 122 N 1.44 3.06 -0.21 -0.60 0.04 -1.26 -5.09 135.00 132.38 1gwp s PRO 122 Ca 0.02 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 1gwp s PRO 122 Cb -0.18 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1gwp s PRO 122 CO -0.13 -1.01 1.31 -1.25 0.04 0.00 0.00 177.00 175.96 1gwp s PRO 123 N -4.81 4.09 0.07 0.56 0.04 0.51 -4.96 135.00 130.49 1gwp s PRO 123 Ca 0.59 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.85 1gwp s PRO 123 Cb -0.14 -3.83 -0.06 0.00 0.04 0.00 0.00 34.50 30.51 1gwp s PRO 123 CO 0.50 -0.89 1.30 0.42 0.04 0.00 0.00 177.00 178.37 1gwp s ILE 124 N 3.93 3.72 0.00 0.56 1.09 0.48 -4.87 121.20 126.10 1gwp s ILE 124 Ca 0.57 1.21 -0.04 0.00 -1.10 0.00 0.00 60.65 61.29 1gwp s ILE 124 Cb -0.20 -3.78 -0.17 0.00 -1.06 0.00 0.00 42.46 37.25 1gwp s ILE 124 CO 0.19 0.07 2.62 -0.81 -0.10 0.00 0.00 174.94 176.91 1gwp n PRO 125 N 4.23 1.37 -0.21 2.79 -0.04 -1.26 -3.11 135.00 138.77 1gwp n PRO 125 Ca 0.11 -0.63 0.20 0.00 -0.04 0.00 0.00 63.50 63.14 1gwp n PRO 125 Cb 0.44 -1.75 0.55 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.69 0.01 0.52 3.04 -1.89 0.41 116.25 121.12 1gwp h VAL 126 Ca 0.12 -0.12 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1gwp h VAL 126 Cb 1.07 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1gwp h VAL 126 CO 0.25 0.06 -0.00 1.23 -1.01 0.00 0.00 177.57 178.10 1gwp h GLY 127 N 0.34 -0.01 -0.31 3.17 0.00 -1.84 -1.51 103.07 102.90 1gwp h GLY 127 Ca 0.44 0.00 0.29 0.00 0.00 0.00 0.00 47.33 48.06 1gwp h GLY 127 CO -0.14 -0.00 0.65 0.83 0.00 0.00 0.00 176.54 177.87 1gwp h GLU 128 N -0.02 0.40 0.67 4.80 5.08 -1.75 0.33 114.58 124.09 1gwp h GLU 128 Ca -0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1gwp h GLU 128 Cb 0.01 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.18 1gwp h GLU 128 CO 0.00 0.26 -0.32 0.82 -1.00 0.00 0.00 179.01 178.77 1gwp h ILE 129 N 0.41 0.33 -0.95 3.13 2.04 -0.23 -1.08 117.51 121.17 1gwp h ILE 129 Ca 0.66 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.56 1gwp h ILE 129 Cb 1.56 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1gwp h ILE 129 CO -0.42 0.00 0.61 0.22 0.00 0.00 0.00 178.15 178.56 1gwp h TYR 130 N -0.92 1.11 -0.55 1.37 3.20 0.28 0.20 116.97 121.66 1gwp h TYR 130 Ca -0.09 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.86 1gwp h TYR 130 Cb 0.70 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1gwp h TYR 130 CO -0.02 0.58 0.28 -0.22 -1.64 0.00 0.00 178.16 177.13 1gwp h LYS 131 N 1.09 0.51 -0.19 1.82 3.11 -0.18 0.20 116.57 122.93 1gwp h LYS 131 Ca 0.41 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 58.11 1gwp h LYS 131 Cb 0.19 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1gwp h LYS 131 CO -0.16 0.34 -0.34 -0.09 -2.81 0.00 0.00 179.45 176.39 1gwp h ARG 132 N 0.53 0.41 0.26 1.90 9.65 -0.05 -1.31 114.38 125.77 1gwp h ARG 132 Ca 0.25 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1gwp h ARG 132 Cb 0.17 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1gwp h ARG 132 CO -0.18 0.70 -0.13 -1.49 2.80 0.00 0.00 179.97 181.68 1gwp h TRP 133 N 0.35 -0.33 -0.76 2.20 4.06 0.42 0.54 115.95 122.43 1gwp h TRP 133 Ca 0.04 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.14 1gwp h TRP 133 Cb 0.77 0.11 -0.14 0.00 -1.00 0.00 0.00 29.16 28.90 1gwp h TRP 133 CO 0.02 -0.20 -0.13 0.82 -3.56 0.00 0.00 178.44 175.39 1gwp h ILE 134 N -0.40 0.26 -0.50 1.49 2.04 -0.71 1.60 117.51 121.30 1gwp h ILE 134 Ca -0.04 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1gwp h ILE 134 Cb 0.27 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1gwp h ILE 134 CO 0.06 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.94 1gwp h ILE 135 N 0.03 1.08 -0.23 -0.67 5.03 -1.15 -0.45 117.51 121.15 1gwp h ILE 135 Ca 0.38 -0.21 0.02 0.00 -0.12 0.00 0.00 64.86 64.94 1gwp h ILE 135 Cb 0.62 0.43 -0.02 0.00 -3.03 0.00 0.00 36.82 34.81 1gwp h ILE 135 CO -0.75 0.11 0.08 0.25 -0.68 0.00 0.00 178.15 177.16 1gwp h LEU 136 N 0.60 0.09 0.02 1.44 6.46 0.77 0.30 115.31 124.99 1gwp h LEU 136 Ca 0.19 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1gwp h LEU 136 Cb 0.03 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1gwp h LEU 136 CO -0.05 0.08 -0.01 1.23 -0.62 0.00 0.00 178.44 179.08 1gwp h GLY 137 N 0.19 -0.02 0.39 3.75 0.00 -0.21 -1.02 103.07 106.15 1gwp h GLY 137 Ca 0.10 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.55 1gwp h GLY 137 CO -0.10 -0.01 0.41 1.41 0.00 0.00 0.00 176.54 178.25 1gwp h LEU 138 N -0.24 0.54 -0.36 3.11 3.38 -0.88 0.45 115.31 121.31 1gwp h LEU 138 Ca -0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gwp h LEU 138 Cb 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1gwp h LEU 138 CO 0.00 0.28 0.22 -1.13 0.09 0.00 0.00 178.44 177.91 1gwp h ASN 139 N 0.66 0.43 -0.51 -0.43 -1.24 -0.18 0.38 115.58 114.69 1gwp h ASN 139 Ca 0.40 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.34 1gwp h ASN 139 Cb 0.47 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1gwp h ASN 139 CO -0.30 0.35 0.25 0.50 -1.29 0.00 0.00 177.43 176.94 1gwp h LYS 140 N 0.48 0.77 -0.03 6.67 3.64 0.33 0.48 116.57 128.92 1gwp h LYS 140 Ca 0.13 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1gwp h LYS 140 Cb -0.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1gwp h LYS 140 CO -0.03 0.61 -0.01 0.82 -2.27 0.00 0.00 179.45 178.58 1gwp h ILE 141 N 0.77 1.29 -0.04 2.00 2.04 0.75 -2.18 117.51 122.13 1gwp h ILE 141 Ca 0.19 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1gwp h ILE 141 Cb 0.10 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1gwp h ILE 141 CO -0.02 0.23 -0.16 0.58 0.00 0.00 0.00 178.15 178.78 1gwp h VAL 142 N -0.30 1.14 -0.23 1.67 2.07 0.18 -1.19 116.25 119.58 1gwp h VAL 142 Ca 0.01 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1gwp h VAL 142 Cb 0.38 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1gwp h VAL 142 CO 0.00 0.19 0.13 0.03 0.02 0.00 0.00 177.57 177.94 1gwp h ARG 143 N 0.06 0.32 -0.32 1.57 2.47 0.24 -1.34 114.38 117.40 1gwp h ARG 143 Ca 0.01 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 1gwp h ARG 143 Cb 0.32 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1gwp h ARG 143 CO 0.02 0.29 -0.10 1.98 0.56 0.00 0.00 179.97 182.72 1gwp h MET 144 N 0.27 0.63 -0.32 0.04 4.05 -0.90 -3.17 114.93 115.54 1gwp h MET 144 Ca 0.08 -0.25 0.07 0.00 -0.28 0.00 0.00 59.70 59.32 1gwp h MET 144 Cb 0.06 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 30.76 1gwp h MET 144 CO -0.01 0.82 -0.12 1.88 0.23 0.00 0.00 176.91 179.71 1gwp h TYR 145 N 0.41 -0.29 -6.82 1.39 -1.99 -1.06 -3.46 116.97 105.15 1gwp h TYR 145 Ca 0.08 0.03 -0.52 0.00 2.00 0.00 0.00 58.73 60.32 1gwp h TYR 145 Cb 0.60 0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 1gwp h TYR 145 CO 0.05 -0.19 -1.05 -1.13 -0.00 0.00 0.00 178.16 175.84 1gwp n SER 146 N -5.31 -4.37 -3.84 3.88 3.41 -0.52 -4.92 113.62 101.95 1gwp n SER 146 Ca 0.01 -1.08 -0.30 0.00 -0.26 0.00 0.00 58.87 57.24 1gwp n SER 146 Cb 0.22 -1.53 0.22 0.00 -0.26 0.00 0.00 64.21 62.86 1gwp n SER 146 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gwp s PRO 147 N -5.85 -0.51 -0.41 4.33 0.04 -1.26 -5.05 135.00 126.28 1gwp s PRO 147 Ca 0.18 -0.33 0.09 0.00 0.04 0.00 0.00 61.00 60.99 1gwp s PRO 147 Cb -0.10 -1.70 0.34 0.00 0.04 0.00 0.00 34.50 33.08 1gwp s PRO 147 CO 0.90 -3.20 0.95 -2.37 0.04 0.00 0.00 177.00 173.32 1gwp n THR 148 N -4.34 -0.03 -1.90 1.26 5.66 -1.26 -5.06 114.28 108.60 1gwp n THR 148 Ca 0.15 -2.94 -0.01 0.00 -3.05 0.00 0.00 64.05 58.20 1gwp n THR 148 Cb 0.59 0.66 -0.01 0.00 -1.55 0.00 0.00 70.33 70.02 1gwp n THR 148 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1gwp n SER 149 N 0.26 -4.96 -3.83 1.09 7.64 -1.26 -5.09 113.62 107.47 1gwp n SER 149 Ca 0.14 1.03 -0.12 0.00 1.01 0.00 0.00 58.87 60.93 1gwp n SER 149 Cb 0.70 -3.54 -0.09 0.00 -1.01 0.00 0.00 64.21 60.27 1gwp n SER 149 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1gwp s ILE 150 N -0.37 0.08 0.00 0.44 1.10 -1.26 -5.30 121.20 115.89 1gwp s ILE 150 Ca -0.05 -0.64 0.00 0.00 -0.51 0.00 0.00 60.65 59.45 1gwp s ILE 150 Cb 0.00 -0.56 0.00 0.00 0.15 0.00 0.00 42.46 42.06 1gwp s ILE 150 CO 0.14 -0.35 0.00 -0.11 -2.11 0.00 0.00 174.94 172.50