#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 2.60 0.17 0.52 1.01 -1.24 -1.52 121.20 122.74 1gwp s ILE 2 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.77 1gwp s ILE 2 Cb 0.00 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1gwp s ILE 2 CO 0.00 0.59 -0.02 0.68 0.00 0.00 0.00 174.94 176.19 1gwp s VAL 3 N -0.68 0.79 -0.27 2.92 -7.23 0.57 -4.93 120.40 111.57 1gwp s VAL 3 Ca 0.11 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.21 1gwp s VAL 3 Cb -0.10 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1gwp s VAL 3 CO -0.00 -0.54 0.08 -1.58 -0.31 0.00 0.00 175.10 172.75 1gwp s GLN 4 N -3.88 3.51 1.00 4.82 0.74 -1.26 -1.57 119.66 123.03 1gwp s GLN 4 Ca 0.22 -0.58 -0.15 0.00 0.05 0.00 0.00 55.36 54.91 1gwp s GLN 4 Cb 0.05 -3.36 0.13 0.00 1.10 0.00 0.00 33.01 30.93 1gwp s GLN 4 CO 0.03 -0.26 0.15 0.09 -0.55 0.00 0.00 175.29 174.74 1gwp n ASN 5 N 4.92 -2.87 -0.03 6.67 3.02 0.19 -4.88 115.26 122.29 1gwp n ASN 5 Ca -0.16 -0.31 -0.08 0.00 -0.03 0.00 0.00 54.58 54.01 1gwp n ASN 5 Cb 0.50 -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 -2.47 -0.05 0.09 3.41 4.07 -1.98 -3.38 115.31 115.00 1gwp h LEU 6 Ca -0.28 -0.44 0.01 0.00 0.08 0.00 0.00 57.88 57.25 1gwp h LEU 6 Cb 0.86 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.57 1gwp h LEU 6 CO 0.18 0.64 -0.40 1.56 -1.08 0.00 0.00 178.44 179.35 1gwp h GLN 7 N -0.98 -0.54 0.00 1.13 1.08 -2.06 -3.45 115.11 110.29 1gwp h GLN 7 Ca -0.01 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1gwp h GLN 7 Cb 0.48 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1gwp h GLN 7 CO 0.01 -0.36 0.00 0.41 -0.95 0.00 0.00 178.83 177.94 1gwp n GLY 8 N -1.36 -1.38 3.23 3.46 0.00 -1.26 -5.18 105.19 102.70 1gwp n GLY 8 Ca -0.06 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 0.85 -0.26 1.61 -0.21 -1.26 -4.97 119.66 115.42 1gwp s GLN 9 Ca 0.00 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.59 1gwp s GLN 9 Cb 0.00 0.36 -0.01 0.00 1.00 0.00 0.00 33.01 34.36 1gwp s GLN 9 CO 0.00 -0.28 0.04 1.41 -2.12 0.00 0.00 175.29 174.34 1gwp s MET 10 N -3.27 3.34 0.03 2.91 1.75 -1.26 0.57 119.30 123.37 1gwp s MET 10 Ca 0.00 -0.68 -0.02 0.00 -1.25 0.00 0.00 55.69 53.74 1gwp s MET 10 Cb 0.02 -3.26 -0.02 0.00 2.84 0.00 0.00 34.83 34.41 1gwp s MET 10 CO -0.08 -0.30 0.02 0.14 -0.65 0.00 0.00 175.02 174.15 1gwp s VAL 11 N 1.53 0.14 0.23 10.11 -7.23 -0.61 -4.92 120.40 119.66 1gwp s VAL 11 Ca 0.05 -1.17 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1gwp s VAL 11 Cb -0.16 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 1gwp s VAL 11 CO 0.01 -0.64 0.23 -1.38 -0.31 0.00 0.00 175.10 173.01 1gwp s HIS 12 N -2.39 3.22 -0.30 2.82 -3.43 -1.26 -0.31 115.29 113.64 1gwp s HIS 12 Ca -0.07 -0.06 0.16 0.00 -0.80 0.00 0.00 55.06 54.29 1gwp s HIS 12 Cb -0.03 -1.47 0.48 0.00 -1.43 0.00 0.00 32.58 30.13 1gwp s HIS 12 CO -0.04 0.50 1.11 0.00 -2.00 0.00 0.00 174.74 174.31 1gwp n GLN 13 N -1.06 2.39 -0.68 -0.38 0.00 -0.58 -4.92 117.38 112.16 1gwp n GLN 13 Ca -0.08 -3.77 0.09 0.00 0.00 0.00 0.00 57.00 53.24 1gwp n GLN 13 Cb 0.57 -1.82 -0.02 0.00 0.00 0.00 0.00 30.24 28.96 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gwp n ALA 14 N -0.54 -2.63 -1.31 2.61 0.00 -1.26 -4.50 120.51 112.88 1gwp n ALA 14 Ca 0.22 0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.81 1gwp n ALA 14 Cb 0.84 -0.82 0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.31 0.00 -4.38 0.00 3.06 -1.26 0.33 119.36 114.80 1gwp n ILE 15 Ca 0.00 -0.27 -0.24 0.00 -2.50 0.00 0.00 62.75 59.75 1gwp n ILE 15 Cb 0.31 -1.83 -0.13 0.00 0.54 0.00 0.00 39.64 38.53 1gwp n ILE 15 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1gwp s SER 16 N -2.25 2.45 0.12 9.51 0.15 -1.26 -4.77 113.70 117.64 1gwp s SER 16 Ca 0.19 -0.63 -0.08 0.00 0.70 0.00 0.00 55.95 56.14 1gwp s SER 16 Cb -0.01 -0.15 -0.12 0.00 -1.71 0.00 0.00 66.02 64.03 1gwp s SER 16 CO 0.14 0.08 1.29 1.55 1.20 0.00 0.00 173.24 177.50 1gwp h PRO 17 N 4.33 0.56 -0.08 5.44 0.13 -1.99 -1.65 132.00 138.74 1gwp h PRO 17 Ca -0.45 -0.55 -0.09 0.00 -0.87 0.00 0.00 66.00 64.04 1gwp h PRO 17 Cb 1.18 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1gwp h PRO 17 CO 0.41 1.17 -0.36 -0.09 -0.23 0.00 0.00 178.00 178.91 1gwp h ARG 18 N 0.34 0.17 -0.01 0.86 9.65 -1.98 0.30 114.38 123.71 1gwp h ARG 18 Ca -0.08 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.67 1gwp h ARG 18 Cb 1.54 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.12 1gwp h ARG 18 CO 0.17 0.50 -0.23 1.15 2.80 0.00 0.00 179.97 184.36 1gwp h THR 19 N 0.14 1.54 -0.61 0.20 2.02 -1.97 -1.26 112.91 112.97 1gwp h THR 19 Ca 0.02 -1.91 -0.07 0.00 0.77 0.00 0.00 66.41 65.22 1gwp h THR 19 Cb 0.70 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1gwp h THR 19 CO 0.05 0.52 0.12 -0.07 0.37 0.00 0.00 175.52 176.51 1gwp h LEU 20 N -0.50 0.95 0.70 2.58 3.38 -1.21 0.37 115.31 121.58 1gwp h LEU 20 Ca -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1gwp h LEU 20 Cb 0.98 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1gwp h LEU 20 CO 0.05 0.95 -0.34 -1.13 0.09 0.00 0.00 178.44 178.06 1gwp h ASN 21 N 0.90 -0.80 -0.69 -0.43 -1.24 -0.46 0.24 115.58 113.10 1gwp h ASN 21 Ca 0.19 0.03 0.12 0.00 0.71 0.00 0.00 56.30 57.34 1gwp h ASN 21 Cb 0.39 0.21 -0.08 0.00 0.73 0.00 0.00 38.32 39.57 1gwp h ASN 21 CO 0.01 -0.55 0.26 0.00 -1.29 0.00 0.00 177.43 175.86 1gwp h ALA 22 N -1.51 0.92 0.28 1.57 0.00 -1.21 -0.69 119.26 118.62 1gwp h ALA 22 Ca -0.10 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gwp h ALA 22 Cb 0.73 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1gwp h ALA 22 CO 0.16 -0.20 -0.48 2.35 0.00 0.00 0.00 179.25 181.08 1gwp h TRP 23 N 0.42 -1.35 -0.92 0.00 2.91 -0.11 0.47 115.95 117.37 1gwp h TRP 23 Ca 0.36 0.02 0.26 0.00 1.13 0.00 0.00 58.89 60.66 1gwp h TRP 23 Cb 0.51 0.55 -0.16 0.00 -0.51 0.00 0.00 29.16 29.55 1gwp h TRP 23 CO -0.17 -0.58 0.18 0.28 -1.03 0.00 0.00 178.44 177.11 1gwp h VAL 24 N -0.81 0.19 -0.58 2.65 2.07 0.48 1.48 116.25 121.73 1gwp h VAL 24 Ca -0.03 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1gwp h VAL 24 Cb 0.75 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1gwp h VAL 24 CO -0.16 0.02 0.28 0.50 0.02 0.00 0.00 177.57 178.23 1gwp h LYS 25 N 0.12 0.83 0.34 1.57 3.11 0.32 0.34 116.57 123.20 1gwp h LYS 25 Ca 0.58 -0.12 -0.02 0.00 -2.81 0.00 0.00 60.65 58.29 1gwp h LYS 25 Cb 1.22 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1gwp h LYS 25 CO -0.76 0.67 -0.16 0.28 -2.81 0.00 0.00 179.45 176.67 1gwp h VAL 26 N 0.79 0.00 -1.00 2.00 2.07 0.64 -1.53 116.25 119.22 1gwp h VAL 26 Ca 0.20 -0.06 0.36 0.00 0.82 0.00 0.00 66.70 68.02 1gwp h VAL 26 Cb 0.11 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.72 1gwp h VAL 26 CO -0.03 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.69 1gwp h VAL 27 N -0.51 0.18 0.28 2.57 2.07 0.14 2.03 116.25 123.01 1gwp h VAL 27 Ca -0.05 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1gwp h VAL 27 Cb 0.35 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1gwp h VAL 27 CO 0.08 0.04 -0.25 -0.08 0.02 0.00 0.00 177.57 177.37 1gwp h GLU 28 N 0.20 -0.53 -0.24 1.57 4.22 -0.70 1.78 114.58 120.88 1gwp h GLU 28 Ca 0.78 0.04 0.00 0.00 0.08 0.00 0.00 59.36 60.25 1gwp h GLU 28 Cb 1.88 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1gwp h GLU 28 CO -0.67 -0.35 0.00 -1.91 -2.18 0.00 0.00 179.01 173.89 1gwp n GLU 29 N -5.37 1.64 0.00 1.92 4.07 0.18 -4.52 120.64 118.56 1gwp n GLU 29 Ca -0.09 -0.99 0.00 0.00 -0.06 0.00 0.00 57.16 56.02 1gwp n GLU 29 Cb 0.28 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.39 1gwp n GLU 29 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1gwp n LYS 30 N 0.27 0.00 -0.73 5.31 4.76 0.63 -5.03 118.16 123.37 1gwp n LYS 30 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1gwp n LYS 30 Cb 0.25 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 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 -1.68 -1.29 -3.19 7.82 0.00 0.60 -4.43 120.51 118.33 1gwp n ALA 31 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1gwp n ALA 31 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1gwp n ALA 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1gwp n PHE 32 N -0.30 -0.50 -2.47 0.00 -1.74 -1.26 -4.85 117.46 106.34 1gwp n PHE 32 Ca 0.00 0.24 -0.25 0.00 -0.56 0.00 0.00 57.45 56.88 1gwp n PHE 32 Cb 0.06 -1.08 0.13 0.00 1.52 0.00 0.00 39.48 40.11 1gwp n PHE 32 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1gwp s SER 33 N -3.45 3.97 0.00 5.98 0.15 -1.26 -4.57 113.70 114.52 1gwp s SER 33 Ca 0.02 -0.33 0.21 0.00 0.70 0.00 0.00 55.95 56.56 1gwp s SER 33 Cb -0.01 0.08 1.27 0.00 -1.71 0.00 0.00 66.02 65.66 1gwp s SER 33 CO 0.40 -2.13 1.68 -0.81 1.20 0.00 0.00 173.24 173.58 1gwp n PRO 34 N -3.07 0.75 -0.00 5.44 -0.04 -1.26 -1.85 135.00 134.96 1gwp n PRO 34 Ca 0.16 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.67 1gwp n PRO 34 Cb 0.60 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.95 3.28 -0.00 0.54 1.02 -1.26 -4.39 120.64 118.88 1gwp n GLU 35 Ca 0.16 -0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.36 1gwp n GLU 35 Cb 0.07 -1.03 -0.09 0.00 -0.02 0.00 0.00 31.44 30.37 1gwp n GLU 35 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1gwp n VAL 36 N -1.27 0.00 -0.26 2.62 3.14 -0.85 -4.17 118.33 117.54 1gwp n VAL 36 Ca 0.02 -0.24 -0.07 0.00 -2.96 0.00 0.00 64.34 61.10 1gwp n VAL 36 Cb 0.18 0.67 0.05 0.00 -1.06 0.00 0.00 33.84 33.67 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 -0.05 1.55 2.04 -1.57 0.23 117.51 120.97 1gwp h ILE 37 Ca 0.00 -0.85 -0.24 0.00 1.00 0.00 0.00 64.86 64.77 1gwp h ILE 37 Cb 0.45 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1gwp h ILE 37 CO 0.00 0.34 -0.92 1.55 0.00 0.00 0.00 178.15 179.12 1gwp h PRO 38 N 1.05 0.64 -0.20 2.37 0.13 -1.81 -1.77 132.00 132.39 1gwp h PRO 38 Ca 0.23 -0.62 -0.09 0.00 -0.87 0.00 0.00 66.00 64.66 1gwp h PRO 38 Cb 0.27 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1gwp h PRO 38 CO -0.01 1.23 -0.25 0.52 -0.23 0.00 0.00 178.00 179.26 1gwp h MET 39 N 0.39 0.38 -0.02 0.86 2.86 -1.67 -1.26 114.93 116.47 1gwp h MET 39 Ca -0.09 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.28 1gwp h MET 39 Cb 1.56 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 33.20 1gwp h MET 39 CO 0.18 0.60 -0.51 0.35 1.06 0.00 0.00 176.91 178.59 1gwp h PHE 40 N 0.34 0.56 -0.91 -0.22 3.57 -0.53 1.00 116.94 120.74 1gwp h PHE 40 Ca 0.05 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1gwp h PHE 40 Cb 0.62 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1gwp h PHE 40 CO 0.02 1.09 0.58 0.66 -2.23 0.00 0.00 178.31 178.43 1gwp h SER 41 N -0.13 1.07 0.53 0.41 4.64 -1.22 -0.76 113.55 118.09 1gwp h SER 41 Ca -0.06 -0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.02 1gwp h SER 41 Cb 1.22 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1gwp h SER 41 CO 0.10 0.79 -0.88 0.00 -0.87 0.00 0.00 176.83 175.98 1gwp h ALA 42 N 1.32 0.50 -0.56 5.18 0.00 -1.27 -0.50 119.26 123.92 1gwp h ALA 42 Ca 0.33 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1gwp h ALA 42 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1gwp h ALA 42 CO -0.07 0.89 0.32 -0.07 0.00 0.00 0.00 179.25 180.32 1gwp h LEU 43 N 0.13 0.49 0.00 0.00 3.38 0.05 -3.36 115.31 116.00 1gwp h LEU 43 Ca -0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gwp h LEU 43 Cb 1.51 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1gwp h LEU 43 CO 0.14 0.33 0.00 -0.24 0.09 0.00 0.00 178.44 178.76 1gwp n SER 44 N -4.81 0.00 0.00 -0.43 2.88 -0.37 -4.91 113.62 105.98 1gwp n SER 44 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1gwp n SER 44 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1gwp n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1gwp n GLU 45 N -0.67 0.00 0.00 -1.46 2.13 -0.20 -3.91 120.64 116.53 1gwp n GLU 45 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1gwp n GLU 45 Cb 0.00 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.65 1gwp n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gwp n GLY 46 N -2.00 0.00 3.77 8.31 0.00 -1.26 -4.44 105.19 109.57 1gwp n GLY 46 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1gwp n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwp s ALA 47 N 0.00 3.17 0.95 4.61 0.00 -1.25 -3.71 121.76 125.53 1gwp s ALA 47 Ca 0.00 0.99 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1gwp s ALA 47 Cb 0.00 -3.39 0.17 0.00 0.00 0.00 0.00 23.12 19.90 1gwp s ALA 47 CO 0.00 -0.55 0.39 2.41 0.00 0.00 0.00 175.76 178.01 1gwp n THR 48 N 0.11 0.00 0.06 0.00 -1.04 -1.26 -4.46 114.28 107.69 1gwp n THR 48 Ca 0.04 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.92 1gwp n THR 48 Cb 0.46 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 1gwp n THR 48 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1gwp h PRO 49 N -2.75 0.43 0.01 -2.82 0.13 -1.94 -1.69 132.00 123.37 1gwp h PRO 49 Ca -0.18 -0.42 -0.20 0.00 -0.87 0.00 0.00 66.00 64.33 1gwp h PRO 49 Cb 0.61 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1gwp h PRO 49 CO 0.11 1.08 -0.91 0.37 -0.23 0.00 0.00 178.00 178.42 1gwp h GLN 50 N 0.26 0.15 0.31 0.86 4.15 -1.97 -1.04 115.11 117.84 1gwp h GLN 50 Ca -0.06 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 1gwp h GLN 50 Cb 1.49 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.23 1gwp h GLN 50 CO 0.15 0.95 -0.15 0.22 -1.93 0.00 0.00 178.83 178.08 1gwp h ASP 51 N 0.07 -0.35 -0.10 -0.69 1.82 -1.87 0.39 116.42 115.69 1gwp h ASP 51 Ca -0.04 -0.19 0.01 0.00 -0.39 0.00 0.00 57.03 56.42 1gwp h ASP 51 Cb 1.56 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.65 1gwp h ASP 51 CO 0.13 0.08 0.03 -0.07 -1.61 0.00 0.00 179.24 177.80 1gwp h LEU 52 N -0.87 0.03 -1.17 2.28 3.38 -1.39 -0.83 115.31 116.73 1gwp h LEU 52 Ca -0.04 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.05 1gwp h LEU 52 Cb 0.52 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1gwp h LEU 52 CO 0.07 0.03 0.59 -1.13 0.09 0.00 0.00 178.44 178.09 1gwp h ASN 53 N 0.07 0.80 0.05 -0.43 -0.73 -1.23 -0.09 115.58 114.02 1gwp h ASN 53 Ca 0.04 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 1gwp h ASN 53 Cb 0.03 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.48 1gwp h ASN 53 CO -0.05 0.45 -0.02 0.74 -0.37 0.00 0.00 177.43 178.18 1gwp h THR 54 N 0.88 1.00 -0.33 -3.57 2.02 0.16 0.29 112.91 113.35 1gwp h THR 54 Ca 0.44 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.50 1gwp h THR 54 Cb 0.49 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1gwp h THR 54 CO -0.20 0.03 0.22 -0.03 0.37 0.00 0.00 175.52 175.91 1gwp h MET 55 N -0.12 0.42 -0.08 6.66 4.05 -0.04 0.44 114.93 126.26 1gwp h MET 55 Ca -0.01 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 1gwp h MET 55 Cb 0.10 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1gwp h MET 55 CO 0.01 0.28 -0.24 -0.07 0.23 0.00 0.00 176.91 177.11 1gwp h LEU 56 N 0.43 0.35 -1.77 3.39 3.38 -0.53 -2.87 115.31 117.70 1gwp h LEU 56 Ca 0.12 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1gwp h LEU 56 Cb -0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1gwp h LEU 56 CO -0.03 0.90 -0.02 0.78 0.09 0.00 0.00 178.44 180.16 1gwp h ASN 57 N -0.18 0.00 0.01 -0.43 4.21 0.23 -2.25 115.58 117.16 1gwp h ASN 57 Ca -0.01 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.35 1gwp h ASN 57 Cb 0.87 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 1gwp h ASN 57 CO 0.05 0.02 -0.49 0.74 -1.29 0.00 0.00 177.43 176.46 1gwp h THR 58 N 0.00 1.31 -1.54 2.81 2.02 0.06 -3.45 112.91 114.12 1gwp h THR 58 Ca -0.00 -1.71 -0.48 0.00 0.77 0.00 0.00 66.41 64.99 1gwp h THR 58 Cb 0.42 1.69 0.25 0.00 -1.74 0.00 0.00 68.15 68.77 1gwp h THR 58 CO 0.00 0.53 -2.07 0.55 0.37 0.00 0.00 175.52 174.91 1gwp n VAL 59 N -3.98 0.00 0.00 3.16 3.14 -0.85 -4.90 118.33 114.89 1gwp n VAL 59 Ca -0.03 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1gwp n VAL 59 Cb 0.57 -0.24 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 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 2.91 -2.95 0.00 7.55 0.00 -1.26 -4.92 105.19 106.52 1gwp n GLY 60 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.57 -1.02 3.51 -0.02 0.00 -1.26 -5.11 105.19 100.71 1gwp n GLY 61 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 2.81 0.20 1.61 3.76 -1.26 -4.88 115.29 117.52 1gwp s HIS 62 Ca 0.00 -0.09 -0.05 0.00 -0.15 0.00 0.00 55.06 54.76 1gwp s HIS 62 Cb 0.00 -4.04 0.14 0.00 1.11 0.00 0.00 32.58 29.78 1gwp s HIS 62 CO 0.00 -1.35 1.58 0.37 -0.85 0.00 0.00 174.74 174.49 1gwp h GLN 63 N 9.30 0.76 0.03 1.40 4.15 -1.99 0.18 115.11 128.93 1gwp h GLN 63 Ca -0.26 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 58.80 1gwp h GLN 63 Cb 1.07 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1gwp h GLN 63 CO 1.08 0.97 -0.01 0.00 -1.93 0.00 0.00 178.83 178.94 1gwp h ALA 64 N 1.00 -0.03 0.35 3.38 0.00 -1.98 0.40 119.26 122.38 1gwp h ALA 64 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1gwp h ALA 64 Cb 0.85 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1gwp h ALA 64 CO 0.07 -0.36 -0.17 0.00 0.00 0.00 0.00 179.25 178.79 1gwp h ALA 65 N 0.62 -0.47 -0.74 0.00 0.00 -1.96 -0.98 119.26 115.74 1gwp h ALA 65 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1gwp h ALA 65 Cb 0.32 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1gwp h ALA 65 CO 0.01 -0.74 0.48 0.52 0.00 0.00 0.00 179.25 179.52 1gwp h MET 66 N -0.52 0.75 0.30 0.00 2.07 -0.64 -0.26 114.93 116.63 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 0.39 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 1gwp h MET 66 CO 0.08 0.50 -0.14 0.37 1.07 0.00 0.00 176.91 178.78 1gwp h GLN 67 N 0.77 -0.39 -0.96 1.72 5.75 0.26 -0.05 115.11 122.21 1gwp h GLN 67 Ca 0.32 0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.86 1gwp h GLN 67 Cb 0.26 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 1gwp h GLN 67 CO -0.11 -0.22 0.63 0.52 -2.65 0.00 0.00 178.83 177.01 1gwp h MET 68 N -0.47 1.24 -0.92 1.69 2.86 -0.62 -1.06 114.93 117.66 1gwp h MET 68 Ca -0.04 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1gwp h MET 68 Cb 0.35 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1gwp h MET 68 CO 0.07 0.82 0.57 1.25 1.06 0.00 0.00 176.91 180.68 1gwp h LEU 69 N 1.28 1.10 -0.13 1.22 6.46 -0.82 -0.00 115.31 124.42 1gwp h LEU 69 Ca 0.36 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1gwp h LEU 69 Cb -0.12 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.53 1gwp h LEU 69 CO -0.09 0.83 0.07 0.50 -0.62 0.00 0.00 178.44 179.13 1gwp h LYS 70 N 1.27 0.19 -0.55 1.25 3.64 -0.05 0.53 116.57 122.85 1gwp h LYS 70 Ca 0.33 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.74 1gwp h LYS 70 Cb -0.08 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 1gwp h LYS 70 CO -0.07 0.24 0.27 1.49 -2.27 0.00 0.00 179.45 179.11 1gwp h GLU 71 N 0.09 0.49 0.95 1.90 4.81 -0.68 0.63 114.58 122.77 1gwp h GLU 71 Ca 0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1gwp h GLU 71 Cb 0.11 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1gwp h GLU 71 CO -0.01 0.32 -0.46 1.15 -0.73 0.00 0.00 179.01 179.29 1gwp h THR 72 N 0.51 0.00 -0.81 0.32 2.02 -0.71 0.10 112.91 114.34 1gwp h THR 72 Ca 0.25 -0.03 0.20 0.00 0.77 0.00 0.00 66.41 67.60 1gwp h THR 72 Cb 0.20 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.47 1gwp h THR 72 CO -0.19 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.21 1gwp h ILE 73 N -1.30 0.34 -0.89 3.11 2.04 -0.70 1.21 117.51 121.33 1gwp h ILE 73 Ca -0.13 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1gwp h ILE 73 Cb 0.98 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1gwp h ILE 73 CO 0.21 0.03 0.59 -1.13 0.00 0.00 0.00 178.15 177.85 1gwp h ASN 74 N 0.16 0.99 0.65 1.72 -1.24 -0.63 -0.90 115.58 116.33 1gwp h ASN 74 Ca 0.47 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.43 1gwp h ASN 74 Cb 0.88 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 39.70 1gwp h ASN 74 CO -0.65 0.69 -0.31 -0.08 -1.29 0.00 0.00 177.43 175.79 1gwp h GLU 75 N 1.16 -0.84 -0.94 6.67 4.81 0.34 -1.27 114.58 124.50 1gwp h GLU 75 Ca 0.34 0.06 0.25 0.00 -0.13 0.00 0.00 59.36 59.88 1gwp h GLU 75 Cb -0.04 0.19 -0.13 0.00 0.63 0.00 0.00 28.75 29.40 1gwp h GLU 75 CO -0.09 -0.52 0.46 1.49 -0.73 0.00 0.00 179.01 179.62 1gwp h GLU 76 N -1.12 0.40 0.04 1.92 4.57 -0.32 0.33 114.58 120.40 1gwp h GLU 76 Ca -0.09 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1gwp h GLU 76 Cb 0.71 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1gwp h GLU 76 CO 0.15 0.27 -0.02 0.00 -1.18 0.00 0.00 179.01 178.23 1gwp h ALA 77 N 1.75 -0.05 -0.30 2.92 0.00 -1.04 0.25 119.26 122.78 1gwp h ALA 77 Ca 0.61 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.52 1gwp h ALA 77 Cb 1.21 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1gwp h ALA 77 CO -0.54 -0.48 -0.03 0.00 0.00 0.00 0.00 179.25 178.20 1gwp h ALA 78 N 0.81 0.24 -0.36 0.00 0.00 0.71 0.55 119.26 121.22 1gwp h ALA 78 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1gwp h ALA 78 Cb 0.13 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1gwp h ALA 78 CO 0.01 -0.43 0.18 0.93 0.00 0.00 0.00 179.25 179.94 1gwp h GLU 79 N 0.05 0.49 -0.61 0.00 3.07 -0.34 0.30 114.58 117.54 1gwp h GLU 79 Ca 0.15 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1gwp h GLU 79 Cb 0.21 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 1gwp h GLU 79 CO -0.27 0.37 0.31 2.35 -1.40 0.00 0.00 179.01 180.37 1gwp h TRP 80 N 0.49 0.86 -0.31 4.33 2.91 0.16 0.28 115.95 124.67 1gwp h TRP 80 Ca 0.13 -0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.94 1gwp h TRP 80 Cb 0.04 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.42 1gwp h TRP 80 CO 0.00 0.64 -0.48 0.22 -1.03 0.00 0.00 178.44 177.79 1gwp h ASP 81 N 0.83 0.96 -0.51 2.65 1.82 0.15 0.72 116.42 123.03 1gwp h ASP 81 Ca 0.21 -0.51 0.02 0.00 -0.39 0.00 0.00 57.03 56.36 1gwp h ASP 81 Cb 0.09 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 39.79 1gwp h ASP 81 CO -0.03 1.28 0.31 -0.09 -1.61 0.00 0.00 179.24 179.11 1gwp h ARG 82 N 0.66 0.61 0.01 0.28 2.43 0.07 -1.29 114.38 117.15 1gwp h ARG 82 Ca 0.03 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1gwp h ARG 82 Cb 1.08 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1gwp h ARG 82 CO 0.11 0.40 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.46 1gwp h LEU 83 N 0.62 0.37 -7.51 3.80 3.38 -0.39 -3.39 115.31 112.20 1gwp h LEU 83 Ca 0.20 -0.78 -0.68 0.00 0.09 0.00 0.00 57.88 56.71 1gwp h LEU 83 Cb 0.00 -0.12 -0.37 0.00 0.09 0.00 0.00 40.66 40.27 1gwp h LEU 83 CO -0.08 1.11 -0.46 -1.00 0.09 0.00 0.00 178.44 178.10 1gwp s HIS 84 N -3.10 3.34 0.70 1.13 3.76 0.25 -5.08 115.29 116.29 1gwp s HIS 84 Ca -0.15 -2.87 -0.11 0.00 -0.15 0.00 0.00 55.06 51.78 1gwp s HIS 84 Cb 0.02 -3.07 0.01 0.00 1.11 0.00 0.00 32.58 30.65 1gwp s HIS 84 CO 0.78 -0.81 1.06 -1.25 -0.85 0.00 0.00 174.74 173.67 1gwp s PRO 85 N -0.12 2.89 -0.29 8.40 0.04 -0.51 -4.06 135.00 141.35 1gwp s PRO 85 Ca 0.17 0.93 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 1gwp s PRO 85 Cb -0.22 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.49 1gwp s PRO 85 CO -0.02 -1.13 0.97 0.54 0.04 0.00 0.00 177.00 177.40 1gwp s VAL 86 N -3.06 -0.21 -0.96 -0.36 0.11 -1.26 -4.96 120.40 109.70 1gwp s VAL 86 Ca 0.58 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.40 1gwp s VAL 86 Cb -0.14 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.77 1gwp s VAL 86 CO 0.55 0.00 1.37 -1.00 -3.33 0.00 0.00 175.10 172.69 1gwp s HIS 87 N 1.79 2.57 -0.86 1.54 3.76 -1.26 -4.93 115.29 117.90 1gwp s HIS 87 Ca -0.07 -0.78 -0.18 0.00 -0.15 0.00 0.00 55.06 53.89 1gwp s HIS 87 Cb -0.05 -4.63 0.15 0.00 1.11 0.00 0.00 32.58 29.16 1gwp s HIS 87 CO -0.16 -1.90 0.98 0.00 -0.85 0.00 0.00 174.74 172.82 1gwp s ALA 88 N 4.79 3.56 0.01 -1.40 0.00 -1.26 -4.52 121.76 122.94 1gwp s ALA 88 Ca 0.42 -2.84 0.00 0.00 0.00 0.00 0.00 51.96 49.54 1gwp s ALA 88 Cb -0.02 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1gwp s ALA 88 CO -0.06 -2.73 0.00 0.41 0.00 0.00 0.00 175.76 173.39 1gwp n GLY 89 N 5.05 -1.45 3.58 0.00 0.00 -1.26 -5.02 105.19 106.10 1gwp n GLY 89 Ca 0.17 0.34 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 1gwp n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gwp s PRO 90 N -1.02 3.25 0.06 1.61 0.04 -1.26 -4.89 135.00 132.79 1gwp s PRO 90 Ca 0.00 -1.57 0.04 0.00 0.04 0.00 0.00 61.00 59.51 1gwp s PRO 90 Cb 0.00 -5.39 -0.03 0.00 0.04 0.00 0.00 34.50 29.12 1gwp s PRO 90 CO 0.00 -3.10 -0.12 0.42 0.04 0.00 0.00 177.00 174.23 1gwp s ILE 91 N 7.57 0.94 0.58 0.56 1.01 -1.26 -5.14 121.20 125.46 1gwp s ILE 91 Ca 0.61 -1.15 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 1gwp s ILE 91 Cb 0.02 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1gwp s ILE 91 CO 0.10 -0.21 1.06 0.00 0.00 0.00 0.00 174.94 175.89 1gwp s ALA 92 N -1.18 2.74 -1.09 9.38 0.00 -1.26 -4.92 121.76 125.43 1gwp s ALA 92 Ca -0.03 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 1gwp s ALA 92 Cb -0.09 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 1gwp s ALA 92 CO 0.02 -0.76 1.76 -1.25 0.00 0.00 0.00 175.76 175.52 1gwp s PRO 93 N -3.92 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 131.14 1gwp s PRO 93 Ca 0.65 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1gwp s PRO 93 Cb -0.17 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.08 1gwp s PRO 93 CO 0.34 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1gwp n GLY 94 N 6.29 0.08 3.57 0.56 0.00 -1.26 -5.10 105.19 109.33 1gwp n GLY 94 Ca 0.41 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.60 1.61 -1.52 -0.79 -4.95 119.66 116.98 1gwp s GLN 95 Ca 0.00 0.19 -0.29 0.00 -1.95 0.00 0.00 55.36 53.32 1gwp s GLN 95 Cb 0.00 -3.90 -0.12 0.00 -0.22 0.00 0.00 33.01 28.77 1gwp s GLN 95 CO 0.00 -1.15 2.46 -0.12 -0.25 0.00 0.00 175.29 176.23 1gwp n MET 96 N 7.02 0.79 -0.76 2.91 0.00 -1.26 -4.75 117.12 121.06 1gwp n MET 96 Ca 0.06 0.06 -0.25 0.00 -0.00 0.00 0.00 57.70 57.56 1gwp n MET 96 Cb 0.48 -2.76 0.22 0.00 0.00 0.00 0.00 33.22 31.16 1gwp n MET 96 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1gwp n ARG 97 N 8.75 -3.09 -3.15 2.12 0.00 -1.26 -5.02 116.66 115.01 1gwp n ARG 97 Ca 0.46 -1.43 -0.23 0.00 -0.00 0.00 0.00 57.85 56.65 1gwp n ARG 97 Cb 0.35 -1.42 -0.05 0.00 -0.00 0.00 0.00 32.46 31.35 1gwp n ARG 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1gwp n GLU 98 N -4.47 1.72 -2.31 2.89 1.02 -1.26 -5.04 120.64 113.19 1gwp n GLU 98 Ca 0.13 -3.91 -0.34 0.00 -0.02 0.00 0.00 57.16 53.02 1gwp n GLU 98 Cb 0.50 -1.82 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 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 3.10 0.48 3.49 0.04 -1.26 -4.80 135.00 133.56 1gwp s PRO 99 Ca 0.42 -0.82 0.43 0.00 0.04 0.00 0.00 61.00 61.06 1gwp s PRO 99 Cb 0.27 -5.24 1.51 0.00 0.04 0.00 0.00 34.50 31.09 1gwp s PRO 99 CO -0.09 -2.82 1.38 0.54 0.04 0.00 0.00 177.00 176.05 1gwp n ARG 100 N 8.81 -0.00 -4.09 4.56 3.00 -1.26 -3.92 116.66 123.75 1gwp n ARG 100 Ca 0.38 0.98 -0.11 0.00 -0.01 0.00 0.00 57.85 59.09 1gwp n ARG 100 Cb 0.49 -2.22 -0.11 0.00 0.00 0.00 0.00 32.46 30.62 1gwp n ARG 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1gwp s GLY 101 N -3.81 0.57 0.00 -0.13 0.00 -1.26 -4.71 107.32 97.97 1gwp s GLY 101 Ca -0.05 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1gwp s GLY 101 CO 0.78 -1.07 0.00 -1.26 0.00 0.00 0.00 173.10 171.55 1gwp n SER 102 N 0.82 0.00 0.10 1.64 2.88 -1.26 -4.73 113.62 113.07 1gwp n SER 102 Ca -0.18 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.16 1gwp n SER 102 Cb 0.57 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.89 1gwp n SER 102 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1gwp h ASP 103 N 0.00 0.55 -0.11 -3.46 3.58 -1.88 -3.19 116.42 111.90 1gwp h ASP 103 Ca 0.00 -0.65 0.03 0.00 0.42 0.00 0.00 57.03 56.83 1gwp h ASP 103 Cb 0.00 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1gwp h ASP 103 CO 0.00 1.52 0.17 0.40 -2.88 0.00 0.00 179.24 178.45 1gwp h ILE 104 N 0.10 0.34 0.00 2.25 2.04 -1.84 0.75 117.51 121.14 1gwp h ILE 104 Ca -0.22 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1gwp h ILE 104 Cb 2.05 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1gwp h ILE 104 CO 0.21 0.00 -0.69 0.00 0.00 0.00 0.00 178.15 177.67 1gwp h ALA 105 N 1.77 0.71 -0.21 1.87 0.00 -1.91 -3.44 119.26 118.06 1gwp h ALA 105 Ca 0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1gwp h ALA 105 Cb 0.38 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1gwp h ALA 105 CO -0.00 0.48 -0.08 0.41 0.00 0.00 0.00 179.25 180.06 1gwp n GLY 106 N 1.23 0.68 0.14 0.00 0.00 0.26 -4.88 105.19 102.62 1gwp n GLY 106 Ca -0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 1.46 0.00 2.61 2.02 -1.79 -3.30 112.91 113.92 1gwp h THR 107 Ca -0.09 -2.53 -0.10 0.00 0.77 0.00 0.00 66.41 64.46 1gwp h THR 107 Cb 0.46 2.41 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1gwp h THR 107 CO 0.13 0.74 -1.99 1.07 0.37 0.00 0.00 175.52 175.84 1gwp n THR 108 N -3.70 0.39 -4.31 3.16 5.66 -1.25 -4.98 114.28 109.25 1gwp n THR 108 Ca -0.04 -0.54 -0.23 0.00 -3.05 0.00 0.00 64.05 60.18 1gwp n THR 108 Cb 0.80 -0.13 -0.08 0.00 -1.55 0.00 0.00 70.33 69.37 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 -4.53 4.35 0.71 1.09 1.04 -1.24 -5.08 113.70 110.03 1gwp s SER 109 Ca -0.08 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.57 1gwp s SER 109 Cb 0.10 -0.69 0.13 0.00 0.10 0.00 0.00 66.02 65.66 1gwp s SER 109 CO 0.78 -0.08 0.98 0.42 0.98 0.00 0.00 173.24 176.32 1gwp s THR 110 N -2.40 2.10 0.09 2.02 -4.23 -1.26 -4.48 115.64 107.48 1gwp s THR 110 Ca 0.33 -0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 59.90 1gwp s THR 110 Cb -0.04 -2.43 -0.13 0.00 1.34 0.00 0.00 72.50 71.23 1gwp s THR 110 CO 0.19 0.00 1.66 0.25 -0.54 0.00 0.00 174.62 176.18 1gwp h LEU 111 N -0.45 -0.58 -0.78 4.79 5.85 -1.99 -1.05 115.31 121.09 1gwp h LEU 111 Ca -0.35 0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.61 1gwp h LEU 111 Cb 1.27 0.19 -0.13 0.00 0.37 0.00 0.00 40.66 42.36 1gwp h LEU 111 CO 0.39 -0.34 0.12 1.56 -0.34 0.00 0.00 178.44 179.83 1gwp h GLN 112 N -0.51 0.17 -0.62 1.25 4.20 -1.99 0.38 115.11 118.00 1gwp h GLN 112 Ca -0.02 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1gwp h GLN 112 Cb 0.45 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1gwp h GLN 112 CO -0.02 0.11 0.40 0.93 -0.67 0.00 0.00 178.83 179.59 1gwp h GLU 113 N 0.18 0.79 -0.73 1.46 4.39 -1.79 -0.49 114.58 118.39 1gwp h GLU 113 Ca 0.45 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.14 1gwp h GLU 113 Cb 0.83 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.25 1gwp h GLU 113 CO -0.62 0.52 0.45 0.37 -1.16 0.00 0.00 179.01 178.57 1gwp h GLN 114 N 0.81 0.84 -0.37 2.33 5.75 0.96 -0.46 115.11 124.98 1gwp h GLN 114 Ca 0.23 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.62 1gwp h GLN 114 Cb -0.07 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.28 1gwp h GLN 114 CO -0.06 0.55 -0.02 0.82 -2.65 0.00 0.00 178.83 177.47 1gwp h ILE 115 N 0.86 1.21 0.45 2.39 5.03 -0.35 -1.00 117.51 126.10 1gwp h ILE 115 Ca 0.30 -0.88 -0.02 0.00 -0.12 0.00 0.00 64.86 64.14 1gwp h ILE 115 Cb 0.07 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 34.83 1gwp h ILE 115 CO -0.13 0.30 -0.22 1.23 -0.68 0.00 0.00 178.15 178.65 1gwp h GLY 116 N 0.89 -0.63 0.77 5.37 0.00 0.44 1.26 103.07 111.16 1gwp h GLY 116 Ca 0.11 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.73 1gwp h GLY 116 CO 0.02 -0.23 0.62 1.49 0.00 0.00 0.00 176.54 178.44 1gwp h TRP 117 N -0.68 1.16 0.00 5.60 6.55 -1.07 0.38 115.95 127.88 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 0.50 -0.38 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 1gwp h TRP 117 CO -0.03 0.61 0.00 1.98 -1.05 0.00 0.00 178.44 179.95 1gwp h MET 118 N 1.15 0.00 -0.28 0.49 4.05 -0.82 0.46 114.93 119.99 1gwp h MET 118 Ca 0.41 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.81 1gwp h MET 118 Cb 0.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1gwp h MET 118 CO -0.16 0.00 0.00 2.41 0.23 0.00 0.00 176.91 179.39 1gwp n THR 119 N -2.39 2.33 -3.52 -0.77 -1.04 0.43 -4.32 114.28 105.00 1gwp n THR 119 Ca 0.04 -1.96 -0.21 0.00 -2.04 0.00 0.00 64.05 59.88 1gwp n THR 119 Cb 0.36 -0.27 -0.02 0.00 -1.82 0.00 0.00 70.33 68.58 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 -2.88 2.62 -0.24 -1.42 5.04 0.91 -4.94 115.29 114.39 1gwp s HIS 120 Ca 0.43 -0.51 -0.00 0.00 -1.54 0.00 0.00 55.06 53.43 1gwp s HIS 120 Cb 0.35 -2.18 0.03 0.00 0.04 0.00 0.00 32.58 30.82 1gwp s HIS 120 CO 0.08 -0.20 -0.09 1.21 -2.34 0.00 0.00 174.74 173.40 1gwp s ASN 121 N -4.17 4.16 0.78 9.88 3.84 -1.26 0.12 114.94 128.28 1gwp s ASN 121 Ca 0.48 -0.97 -0.11 0.00 0.21 0.00 0.00 52.86 52.47 1gwp s ASN 121 Cb -0.04 -1.61 0.06 0.00 -0.55 0.00 0.00 41.25 39.11 1gwp s ASN 121 CO 0.28 -0.13 1.09 -2.16 -2.79 0.00 0.00 177.10 173.40 1gwp s PRO 122 N 1.26 2.24 -0.20 0.43 0.04 -1.26 -5.08 135.00 132.43 1gwp s PRO 122 Ca -0.01 0.70 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1gwp s PRO 122 Cb -0.17 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1gwp s PRO 122 CO -0.06 -1.52 1.30 -1.25 0.04 0.00 0.00 177.00 175.50 1gwp s PRO 123 N -5.13 4.13 -0.14 0.56 0.04 0.32 -4.93 135.00 129.85 1gwp s PRO 123 Ca 0.60 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 1gwp s PRO 123 Cb -0.14 -3.81 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 1gwp s PRO 123 CO 0.54 -0.84 1.32 0.42 0.04 0.00 0.00 177.00 178.48 1gwp s ILE 124 N 3.81 4.16 0.00 0.56 1.09 0.16 -4.88 121.20 126.10 1gwp s ILE 124 Ca 0.56 1.41 -0.03 0.00 -1.10 0.00 0.00 60.65 61.49 1gwp s ILE 124 Cb -0.21 -3.91 -0.15 0.00 -1.06 0.00 0.00 42.46 37.13 1gwp s ILE 124 CO 0.18 -0.11 2.48 -0.81 -0.10 0.00 0.00 174.94 176.57 1gwp n PRO 125 N 6.56 1.30 -0.13 2.79 -0.04 -1.26 -3.56 135.00 140.66 1gwp n PRO 125 Ca 0.14 -0.54 0.24 0.00 -0.04 0.00 0.00 63.50 63.30 1gwp n PRO 125 Cb 0.45 -1.67 0.68 0.00 -0.04 0.00 0.00 33.50 32.92 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 1.97 0.64 0.00 0.52 3.04 -1.90 0.39 116.25 120.91 1gwp h VAL 126 Ca 0.10 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1gwp h VAL 126 Cb 1.04 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1gwp h VAL 126 CO 0.21 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.40 1gwp n GLY 127 N -1.66 -1.19 0.47 3.17 0.00 -1.26 -1.50 105.19 103.21 1gwp n GLY 127 Ca 0.15 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.47 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 0.17 0.69 1.61 5.08 -1.71 0.30 114.58 120.73 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 -0.33 0.82 -1.00 0.00 0.00 179.01 178.61 1gwp h ILE 129 N 0.18 0.14 -0.93 3.13 2.04 -0.29 -0.91 117.51 120.87 1gwp h ILE 129 Ca 0.59 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 66.27 1gwp h ILE 129 Cb 1.93 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 38.13 1gwp h ILE 129 CO -0.16 0.02 0.60 0.22 0.00 0.00 0.00 178.15 178.83 1gwp h TYR 130 N -1.16 1.05 -0.40 1.37 3.20 0.18 0.25 116.97 121.46 1gwp h TYR 130 Ca -0.10 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1gwp h TYR 130 Cb 0.74 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1gwp h TYR 130 CO 0.00 0.50 0.25 -0.22 -1.64 0.00 0.00 178.16 177.05 1gwp h LYS 131 N 0.99 0.49 -0.25 1.82 3.64 -0.42 0.27 116.57 123.11 1gwp h LYS 131 Ca 0.42 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.66 1gwp h LYS 131 Cb 0.32 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1gwp h LYS 131 CO -0.18 0.32 -0.33 -0.09 -2.27 0.00 0.00 179.45 176.90 1gwp h ARG 132 N 0.50 0.53 0.60 1.90 2.43 0.08 -1.57 114.38 118.84 1gwp h ARG 132 Ca 0.16 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1gwp h ARG 132 Cb -0.01 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1gwp h ARG 132 CO -0.06 0.79 -0.29 -1.49 -1.51 0.00 0.00 179.97 177.41 1gwp h TRP 133 N 0.45 -0.75 -0.65 2.20 4.06 0.23 0.48 115.95 121.97 1gwp h TRP 133 Ca 0.05 -0.02 0.12 0.00 2.06 0.00 0.00 58.89 61.11 1gwp h TRP 133 Cb 0.80 0.25 -0.12 0.00 -1.00 0.00 0.00 29.16 29.08 1gwp h TRP 133 CO 0.03 -0.47 -0.25 0.82 -3.56 0.00 0.00 178.44 175.01 1gwp h ILE 134 N -0.89 0.24 0.00 1.49 2.04 -0.50 1.72 117.51 121.61 1gwp h ILE 134 Ca -0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1gwp h ILE 134 Cb 0.62 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1gwp h ILE 134 CO 0.14 0.00 -0.01 -0.29 0.00 0.00 0.00 178.15 177.99 1gwp h ILE 135 N -0.08 0.85 -0.09 -0.67 6.09 -1.18 -1.35 117.51 121.09 1gwp h ILE 135 Ca 0.29 -0.03 -0.00 0.00 -1.37 0.00 0.00 64.86 63.74 1gwp h ILE 135 Cb 0.53 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.83 1gwp h ILE 135 CO -0.70 0.01 0.04 0.25 -3.07 0.00 0.00 178.15 174.67 1gwp h LEU 136 N 0.00 0.12 0.06 2.19 6.46 0.75 0.65 115.31 125.55 1gwp h LEU 136 Ca -0.00 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1gwp h LEU 136 Cb 0.02 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1gwp h LEU 136 CO 0.00 0.24 -0.03 1.23 -0.62 0.00 0.00 178.44 179.26 1gwp h GLY 137 N -0.00 -0.08 0.42 3.75 0.00 -0.10 -1.19 103.07 105.87 1gwp h GLY 137 Ca 0.03 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.49 1gwp h GLY 137 CO -0.00 -0.03 0.32 1.41 0.00 0.00 0.00 176.54 178.23 1gwp h LEU 138 N -0.19 0.39 -0.46 3.11 3.38 -1.23 0.47 115.31 120.77 1gwp h LEU 138 Ca -0.01 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1gwp h LEU 138 Cb 0.16 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1gwp h LEU 138 CO 0.01 0.22 0.23 -1.13 0.09 0.00 0.00 178.44 177.86 1gwp h ASN 139 N 0.54 0.34 -0.26 -0.43 -0.73 -0.57 0.29 115.58 114.75 1gwp h ASN 139 Ca 0.34 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.48 1gwp h ASN 139 Cb 0.39 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 1gwp h ASN 139 CO -0.29 0.24 -0.00 0.50 -0.37 0.00 0.00 177.43 177.51 1gwp h LYS 140 N 0.47 0.58 0.04 6.67 3.64 0.20 0.43 116.57 128.59 1gwp h LYS 140 Ca 0.20 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1gwp h LYS 140 Cb 0.10 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1gwp h LYS 140 CO -0.14 0.60 -0.02 0.82 -2.27 0.00 0.00 179.45 178.44 1gwp h ILE 141 N 0.55 1.12 -0.16 2.00 2.04 0.14 -0.60 117.51 122.60 1gwp h ILE 141 Ca 0.12 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 1gwp h ILE 141 Cb 0.36 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1gwp h ILE 141 CO 0.01 0.13 -0.23 0.58 0.00 0.00 0.00 178.15 178.64 1gwp h VAL 142 N -0.28 1.24 -0.75 1.67 2.07 -0.19 -0.85 116.25 119.16 1gwp h VAL 142 Ca -0.01 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1gwp h VAL 142 Cb 0.25 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1gwp h VAL 142 CO 0.01 0.34 0.32 0.03 0.02 0.00 0.00 177.57 178.28 1gwp h ARG 143 N 0.26 1.10 -0.06 1.57 3.08 0.20 -1.68 114.38 118.85 1gwp h ARG 143 Ca 0.04 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 1gwp h ARG 143 Cb 0.56 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1gwp h ARG 143 CO 0.04 0.88 -0.52 1.98 -1.07 0.00 0.00 179.97 181.28 1gwp h MET 144 N 1.08 0.45 -0.28 0.04 4.05 -0.60 -3.29 114.93 116.38 1gwp h MET 144 Ca 0.25 -0.41 0.06 0.00 -0.28 0.00 0.00 59.70 59.33 1gwp h MET 144 Cb 0.18 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 1gwp h MET 144 CO -0.02 1.05 -0.13 1.88 0.23 0.00 0.00 176.91 179.92 1gwp h TYR 145 N -0.01 -0.32 -6.58 1.39 -1.99 -0.98 -3.47 116.97 105.03 1gwp h TYR 145 Ca -0.05 0.03 -0.40 0.00 2.00 0.00 0.00 58.73 60.31 1gwp h TYR 145 Cb 1.19 0.18 0.02 0.00 2.00 0.00 0.00 36.73 40.12 1gwp h TYR 145 CO 0.13 -0.20 -1.23 0.45 -0.00 0.00 0.00 178.16 177.31 1gwp n SER 146 N -5.30 -5.46 -0.04 3.88 2.88 -0.65 -4.90 113.62 104.03 1gwp n SER 146 Ca -0.00 -0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.23 1gwp n SER 146 Cb 0.22 -1.61 -0.11 0.00 -0.75 0.00 0.00 64.21 61.96 1gwp n SER 146 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1gwp h PRO 147 N 2.08 0.03 -4.41 -1.46 0.13 -1.91 -3.48 132.00 122.99 1gwp h PRO 147 Ca -0.58 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.33 1gwp h PRO 147 Cb 1.42 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.41 1gwp h PRO 147 CO 0.23 0.77 -0.62 0.99 -0.23 0.00 0.00 178.00 179.14 1gwp s THR 148 N -3.23 0.09 -0.19 1.56 2.01 -1.26 -5.08 115.64 109.53 1gwp s THR 148 Ca -0.17 -1.89 -0.19 0.00 0.31 0.00 0.00 61.69 59.75 1gwp s THR 148 Cb -0.00 -2.09 -0.16 0.00 0.01 0.00 0.00 72.50 70.25 1gwp s THR 148 CO 0.69 -0.39 0.18 0.28 -0.69 0.00 0.00 174.62 174.69 1gwp h SER 149 N 2.81 0.00 -4.51 3.53 0.02 -2.03 -3.50 113.55 109.87 1gwp h SER 149 Ca -0.35 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 1gwp h SER 149 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1gwp h SER 149 CO 0.57 1.28 -0.58 -0.38 -1.14 0.00 0.00 176.83 176.59 1gwp n ILE 150 N -4.49 -8.78 -0.29 3.27 2.08 -1.26 -5.24 119.36 104.64 1gwp n ILE 150 Ca -0.25 1.08 0.00 0.00 0.56 0.00 0.00 62.75 64.14 1gwp n ILE 150 Cb 0.57 -6.13 0.00 0.00 -0.75 0.00 0.00 39.64 33.33 1gwp n ILE 150 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11