#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwp s ILE 2 N 0.00 5.20 0.15 0.52 1.01 -1.25 -1.58 121.20 125.25 1gwp s ILE 2 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.98 1gwp s ILE 2 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1gwp s ILE 2 CO 0.00 0.30 -0.11 0.68 0.00 0.00 0.00 174.94 175.81 1gwp s VAL 3 N -1.37 1.29 -0.12 2.92 -7.23 0.13 -4.93 120.40 111.08 1gwp s VAL 3 Ca 0.31 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1gwp s VAL 3 Cb -0.13 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1gwp s VAL 3 CO 0.18 -0.68 0.04 -1.58 -0.31 0.00 0.00 175.10 172.75 1gwp s GLN 4 N -3.57 3.32 0.00 4.82 0.74 -1.26 -1.32 119.66 122.39 1gwp s GLN 4 Ca 0.16 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.23 1gwp s GLN 4 Cb 0.01 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.15 1gwp s GLN 4 CO 0.02 0.61 0.00 0.09 -0.55 0.00 0.00 175.29 175.46 1gwp n ASN 5 N 2.45 -0.72 0.00 6.67 3.02 0.10 -4.89 115.26 121.89 1gwp n ASN 5 Ca -0.18 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1gwp n ASN 5 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1gwp n ASN 5 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gwp n LEU 6 N 0.00 0.00 -0.95 3.41 4.32 -1.26 -4.50 117.00 118.02 1gwp n LEU 6 Ca 0.00 0.49 -0.02 0.00 -0.02 0.00 0.00 56.01 56.47 1gwp n LEU 6 Cb 0.00 -0.19 -0.01 0.00 -1.62 0.00 0.00 43.42 41.60 1gwp n LEU 6 CO 0.00 -0.19 0.18 0.00 -1.22 0.00 0.00 177.39 176.15 1gwp n GLN 7 N -1.97 0.11 -0.74 3.23 0.00 -1.26 -4.97 117.38 111.77 1gwp n GLN 7 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 57.00 56.61 1gwp n GLN 7 Cb 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 30.24 30.62 1gwp n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gwp n GLY 8 N -0.12 0.28 3.41 2.61 0.00 -1.26 -5.14 105.19 104.97 1gwp n GLY 8 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 1.22 -0.01 1.61 -1.52 -1.26 -5.03 119.66 114.67 1gwp s GLN 9 Ca 0.00 -0.44 0.00 0.00 -1.95 0.00 0.00 55.36 52.98 1gwp s GLN 9 Cb 0.00 0.56 0.01 0.00 -0.22 0.00 0.00 33.01 33.37 1gwp s GLN 9 CO 0.00 -0.52 -0.00 -1.64 -0.25 0.00 0.00 175.29 172.88 1gwp s MET 10 N -3.52 0.18 0.03 2.91 -1.94 -1.26 0.01 119.30 115.71 1gwp s MET 10 Ca 0.00 0.03 -0.18 0.00 -1.71 0.00 0.00 55.69 53.83 1gwp s MET 10 Cb -0.01 -0.29 0.03 0.00 2.01 0.00 0.00 34.83 36.58 1gwp s MET 10 CO -0.11 -0.06 0.40 0.14 -0.01 0.00 0.00 175.02 175.38 1gwp s VAL 11 N 0.54 0.06 0.27 -6.03 -7.23 -0.43 -4.91 120.40 102.67 1gwp s VAL 11 Ca -0.05 -0.46 0.06 0.00 -1.81 0.00 0.00 61.98 59.72 1gwp s VAL 11 Cb -0.08 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 1gwp s VAL 11 CO -0.01 -0.25 0.29 -1.38 -0.31 0.00 0.00 175.10 173.43 1gwp s HIS 12 N -2.25 3.18 -0.39 2.82 -3.43 -1.26 0.18 115.29 114.14 1gwp s HIS 12 Ca -0.07 -0.12 0.05 0.00 -0.80 0.00 0.00 55.06 54.12 1gwp s HIS 12 Cb -0.01 -1.58 0.46 0.00 -1.43 0.00 0.00 32.58 30.02 1gwp s HIS 12 CO -0.01 0.39 1.43 1.04 -2.00 0.00 0.00 174.74 175.59 1gwp n GLN 13 N -1.33 3.25 -0.21 -0.38 6.02 -0.61 -4.87 117.38 119.25 1gwp n GLN 13 Ca -0.06 -3.87 0.03 0.00 -0.01 0.00 0.00 57.00 53.08 1gwp n GLN 13 Cb 0.58 -2.25 -0.01 0.00 1.02 0.00 0.00 30.24 29.59 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gwp n ALA 14 N -0.79 -1.05 -1.98 -1.58 0.00 -1.26 -4.80 120.51 109.04 1gwp n ALA 14 Ca 0.48 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.83 1gwp n ALA 14 Cb 0.89 -0.31 0.12 0.00 0.00 0.00 0.00 19.45 20.14 1gwp n ALA 14 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1gwp n ILE 15 N -1.16 0.00 -4.50 0.00 3.06 -1.26 -4.06 119.36 111.44 1gwp n ILE 15 Ca 0.00 -0.84 -0.24 0.00 -2.50 0.00 0.00 62.75 59.17 1gwp n ILE 15 Cb 0.09 -1.41 -0.13 0.00 0.54 0.00 0.00 39.64 38.73 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 -4.15 2.36 0.14 9.51 0.15 -1.26 -5.04 113.70 115.42 1gwp s SER 16 Ca 0.50 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 1gwp s SER 16 Cb -0.02 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 1gwp s SER 16 CO 0.34 0.11 1.35 1.55 1.20 0.00 0.00 173.24 177.79 1gwp h PRO 17 N 4.65 0.42 -0.13 5.44 0.13 -1.99 -1.63 132.00 138.90 1gwp h PRO 17 Ca -0.43 -0.41 -0.12 0.00 -0.87 0.00 0.00 66.00 64.18 1gwp h PRO 17 Cb 1.17 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1gwp h PRO 17 CO 0.43 1.06 -0.43 -0.09 -0.23 0.00 0.00 178.00 178.74 1gwp h ARG 18 N 0.26 0.31 -0.01 0.86 1.12 -1.97 0.40 114.38 115.35 1gwp h ARG 18 Ca -0.06 -0.15 -0.02 0.00 -1.11 0.00 0.00 59.98 58.63 1gwp h ARG 18 Cb 1.47 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.44 1gwp h ARG 18 CO 0.15 0.68 -0.09 1.15 -3.11 0.00 0.00 179.97 178.75 1gwp h THR 19 N 0.26 1.54 -0.54 0.20 2.02 -1.97 -1.29 112.91 113.12 1gwp h THR 19 Ca 0.02 -1.70 -0.08 0.00 0.77 0.00 0.00 66.41 65.41 1gwp h THR 19 Cb 0.86 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 1gwp h THR 19 CO 0.07 0.45 0.01 -0.07 0.37 0.00 0.00 175.52 176.35 1gwp h LEU 20 N -0.58 0.93 0.91 2.58 3.38 -1.27 0.23 115.31 121.49 1gwp h LEU 20 Ca -0.01 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1gwp h LEU 20 Cb 0.79 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1gwp h LEU 20 CO 0.02 1.01 -0.49 -1.13 0.09 0.00 0.00 178.44 177.94 1gwp h ASN 21 N 0.83 -1.18 -0.75 -0.43 -1.24 -0.25 0.24 115.58 112.79 1gwp h ASN 21 Ca 0.16 0.05 0.13 0.00 0.71 0.00 0.00 56.30 57.35 1gwp h ASN 21 Cb 0.52 0.32 -0.09 0.00 0.73 0.00 0.00 38.32 39.81 1gwp h ASN 21 CO 0.03 -0.79 0.32 0.00 -1.29 0.00 0.00 177.43 175.70 1gwp h ALA 22 N -1.24 1.06 0.42 1.57 0.00 -1.20 -0.65 119.26 119.22 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 1.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1gwp h ALA 22 CO 0.17 -0.17 -0.49 2.35 0.00 0.00 0.00 179.25 181.12 1gwp h TRP 23 N 0.49 -1.35 -0.95 0.00 2.91 -0.58 0.74 115.95 117.20 1gwp h TRP 23 Ca 0.40 0.01 0.29 0.00 1.13 0.00 0.00 58.89 60.73 1gwp h TRP 23 Cb 0.58 0.54 -0.15 0.00 -0.51 0.00 0.00 29.16 29.61 1gwp h TRP 23 CO -0.15 -0.64 0.40 0.28 -1.03 0.00 0.00 178.44 177.30 1gwp h VAL 24 N -0.93 0.25 -0.36 2.65 2.07 0.68 1.73 116.25 122.35 1gwp h VAL 24 Ca -0.05 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 1gwp h VAL 24 Cb 0.83 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1gwp h VAL 24 CO -0.10 0.04 -0.32 0.11 0.02 0.00 0.00 177.57 177.31 1gwp h LYS 25 N 0.22 0.80 0.27 1.57 1.57 0.31 0.39 116.57 121.70 1gwp h LYS 25 Ca 0.67 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1gwp h LYS 25 Cb 1.48 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.79 1gwp h LYS 25 CO -0.67 1.01 -0.13 0.28 -0.57 0.00 0.00 179.45 179.37 1gwp h VAL 26 N 0.67 0.75 -0.67 0.50 2.07 0.87 0.19 116.25 120.64 1gwp h VAL 26 Ca 0.07 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1gwp h VAL 26 Cb 0.87 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1gwp h VAL 26 CO 0.08 0.02 0.11 0.58 0.02 0.00 0.00 177.57 178.37 1gwp h VAL 27 N -0.41 1.26 -0.09 2.57 2.07 -0.15 0.34 116.25 121.84 1gwp h VAL 27 Ca -0.04 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1gwp h VAL 27 Cb 0.31 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1gwp h VAL 27 CO 0.06 0.39 0.06 -0.08 0.02 0.00 0.00 177.57 178.02 1gwp h GLU 28 N 1.03 0.10 0.02 1.57 4.22 0.10 1.52 114.58 123.14 1gwp h GLU 28 Ca 0.20 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.51 1gwp h GLU 28 Cb 0.44 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1gwp h GLU 28 CO 0.01 0.07 -0.68 1.49 -2.18 0.00 0.00 179.01 177.72 1gwp h GLU 29 N 0.10 0.05 0.00 1.92 4.81 0.12 -3.44 114.58 118.15 1gwp h GLU 29 Ca 0.04 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1gwp h GLU 29 Cb 0.02 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1gwp h GLU 29 CO -0.01 1.04 0.00 1.63 -0.73 0.00 0.00 179.01 180.95 1gwp n LYS 30 N -4.42 0.00 -1.08 1.92 5.02 0.11 -5.09 118.16 114.62 1gwp n LYS 30 Ca -0.20 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1gwp n LYS 30 Cb 0.63 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gwp n ALA 31 N -2.24 -2.15 -3.24 7.82 0.00 0.52 -4.74 120.51 116.48 1gwp n ALA 31 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 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 -0.31 -2.72 -3.61 0.00 3.01 -1.26 -5.03 117.46 107.54 1gwp n PHE 32 Ca 0.00 1.02 -0.23 0.00 1.01 0.00 0.00 57.45 59.26 1gwp n PHE 32 Cb 0.00 -3.84 -0.01 0.00 -0.01 0.00 0.00 39.48 35.61 1gwp n PHE 32 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1gwp s SER 33 N -3.06 4.90 0.00 4.37 0.01 -1.26 -4.86 113.70 113.81 1gwp s SER 33 Ca 0.07 -0.94 0.24 0.00 1.31 0.00 0.00 55.95 56.63 1gwp s SER 33 Cb -0.01 -0.12 1.37 0.00 0.21 0.00 0.00 66.02 67.47 1gwp s SER 33 CO 0.78 -0.90 1.79 -0.81 0.41 0.00 0.00 173.24 174.51 1gwp n PRO 34 N -1.71 0.66 -0.08 12.44 -0.04 -1.26 -2.21 135.00 142.80 1gwp n PRO 34 Ca 0.03 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1gwp n PRO 34 Cb 0.63 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.35 -0.00 0.54 4.71 -1.26 -4.53 120.64 120.39 1gwp n GLU 35 Ca 0.16 -2.43 0.06 0.00 -0.01 0.00 0.00 57.16 54.94 1gwp n GLU 35 Cb 0.10 -1.42 -0.08 0.00 -1.01 0.00 0.00 31.44 29.03 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1gwp n VAL 36 N -1.31 0.00 -0.11 2.62 0.31 -0.94 -4.07 118.33 114.83 1gwp n VAL 36 Ca 0.14 -0.25 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 1gwp n VAL 36 Cb 0.61 0.65 -0.03 0.00 -0.91 0.00 0.00 33.84 34.17 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 1.29 -0.02 2.52 1.08 -1.80 -0.74 117.51 119.85 1gwp h ILE 37 Ca 0.00 -1.36 -0.20 0.00 -0.39 0.00 0.00 64.86 62.91 1gwp h ILE 37 Cb 0.41 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1gwp h ILE 37 CO 0.00 0.44 -0.84 1.55 -0.69 0.00 0.00 178.15 178.61 1gwp h PRO 38 N 0.50 0.32 -0.44 2.37 0.13 -1.87 -1.77 132.00 131.24 1gwp h PRO 38 Ca 0.07 -0.31 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1gwp h PRO 38 Cb 0.77 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1gwp h PRO 38 CO 0.06 0.99 -0.15 0.52 -0.23 0.00 0.00 178.00 179.19 1gwp h MET 39 N 0.20 0.84 -0.06 0.86 2.86 -1.69 -1.06 114.93 116.87 1gwp h MET 39 Ca -0.05 -0.31 -0.12 0.00 -2.06 0.00 0.00 59.70 57.16 1gwp h MET 39 Cb 1.45 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 33.06 1gwp h MET 39 CO 0.14 0.93 -0.45 0.35 1.06 0.00 0.00 176.91 178.95 1gwp h PHE 40 N 0.74 0.57 -0.92 -0.22 3.57 -1.13 0.66 116.94 120.21 1gwp h PHE 40 Ca 0.12 -0.27 0.02 0.00 3.53 0.00 0.00 57.97 61.37 1gwp h PHE 40 Cb 0.67 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 1gwp h PHE 40 CO 0.04 1.04 0.61 0.66 -2.23 0.00 0.00 178.31 178.43 1gwp h SER 41 N -0.06 1.04 0.55 0.41 4.64 -1.27 -1.15 113.55 117.71 1gwp h SER 41 Ca -0.04 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.05 1gwp h SER 41 Cb 1.11 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1gwp h SER 41 CO 0.09 0.74 -0.93 0.00 -0.87 0.00 0.00 176.83 175.87 1gwp h ALA 42 N 1.44 0.44 -0.61 5.18 0.00 -1.20 -2.03 119.26 122.48 1gwp h ALA 42 Ca 0.35 -0.74 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1gwp h ALA 42 Cb -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1gwp h ALA 42 CO -0.09 0.91 0.32 -0.07 0.00 0.00 0.00 179.25 180.32 1gwp h LEU 43 N 0.13 0.46 0.00 0.00 3.38 0.22 -3.30 115.31 116.20 1gwp h LEU 43 Ca -0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gwp h LEU 43 Cb 1.57 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1gwp h LEU 43 CO 0.15 0.30 0.00 -0.24 0.09 0.00 0.00 178.44 178.73 1gwp n SER 44 N -4.84 0.00 0.00 -0.43 2.88 -0.54 -4.90 113.62 105.79 1gwp n SER 44 Ca 0.07 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1gwp n SER 44 Cb 0.17 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.10 0.00 0.00 -1.46 2.13 -0.77 -3.86 120.64 115.59 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 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.59 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 3.80 8.31 0.00 -1.26 -4.87 105.19 109.17 1gwp n GLY 46 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1gwp n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwp s ALA 47 N 0.00 2.54 1.01 4.61 0.00 -1.25 -3.89 121.76 124.78 1gwp s ALA 47 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1gwp s ALA 47 Cb 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.96 1gwp s ALA 47 CO 0.00 -1.36 0.34 0.25 0.00 0.00 0.00 175.76 174.99 1gwp n THR 48 N -3.12 0.00 0.05 0.00 -2.24 -1.26 -4.65 114.28 103.06 1gwp n THR 48 Ca 0.08 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1gwp n THR 48 Cb 0.53 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.01 1gwp n THR 48 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1gwp h PRO 49 N 0.00 0.46 -0.33 -0.78 0.13 -1.93 -1.40 132.00 128.15 1gwp h PRO 49 Ca -0.11 -0.46 -0.13 0.00 -0.87 0.00 0.00 66.00 64.43 1gwp h PRO 49 Cb 0.32 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1gwp h PRO 49 CO 0.08 1.10 -0.33 1.96 -0.23 0.00 0.00 178.00 180.58 1gwp h GLN 50 N 0.28 0.72 0.48 0.86 4.20 -1.97 0.42 115.11 120.10 1gwp h GLN 50 Ca -0.07 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 1gwp h GLN 50 Cb 1.50 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1gwp h GLN 50 CO 0.16 0.95 -0.23 -0.44 -0.67 0.00 0.00 178.83 178.60 1gwp h ASP 51 N 0.61 -0.54 -0.86 1.46 3.32 -1.92 -0.89 116.42 117.59 1gwp h ASP 51 Ca 0.06 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1gwp h ASP 51 Cb 0.86 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 1gwp h ASP 51 CO 0.07 -0.12 0.56 -0.07 -1.72 0.00 0.00 179.24 177.97 1gwp h LEU 52 N -1.15 0.82 -0.53 1.55 3.38 -1.30 0.29 115.31 118.37 1gwp h LEU 52 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1gwp h LEU 52 Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1gwp h LEU 52 CO 0.11 0.52 0.34 -1.13 0.09 0.00 0.00 178.44 178.36 1gwp h ASN 53 N 0.93 0.62 -0.36 -0.43 -1.24 -0.15 0.25 115.58 115.19 1gwp h ASN 53 Ca 0.38 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.30 1gwp h ASN 53 Cb 0.27 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1gwp h ASN 53 CO -0.15 0.47 0.03 0.74 -1.29 0.00 0.00 177.43 177.23 1gwp h THR 54 N 0.71 1.22 -0.37 -3.57 2.02 0.39 -0.13 112.91 113.18 1gwp h THR 54 Ca 0.19 -0.88 -0.16 0.00 0.77 0.00 0.00 66.41 66.33 1gwp h THR 54 Cb -0.06 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1gwp h THR 54 CO -0.04 0.31 -0.39 -0.03 0.37 0.00 0.00 175.52 175.75 1gwp h MET 55 N 0.68 0.89 -0.28 6.66 1.85 -0.20 0.11 114.93 124.64 1gwp h MET 55 Ca 0.14 -0.46 -0.05 0.00 -0.61 0.00 0.00 59.70 58.71 1gwp h MET 55 Cb 0.37 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 1gwp h MET 55 CO 0.01 1.11 -0.03 -0.07 -0.40 0.00 0.00 176.91 177.53 1gwp h LEU 56 N 0.73 0.50 -1.14 3.39 3.38 -0.18 -2.50 115.31 119.49 1gwp h LEU 56 Ca 0.06 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1gwp h LEU 56 Cb 0.97 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1gwp h LEU 56 CO 0.09 0.72 -0.25 -1.13 0.09 0.00 0.00 178.44 177.96 1gwp h ASN 57 N 0.28 0.29 -0.84 -0.43 -0.73 -0.98 -2.60 115.58 110.57 1gwp h ASN 57 Ca 0.07 -0.09 0.04 0.00 1.87 0.00 0.00 56.30 58.19 1gwp h ASN 57 Cb 0.48 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.94 1gwp h ASN 57 CO 0.02 0.54 0.54 0.74 -0.37 0.00 0.00 177.43 178.90 1gwp h THR 58 N 0.26 1.13 -1.77 -3.57 2.02 -0.43 -3.44 112.91 107.11 1gwp h THR 58 Ca 0.04 -0.36 -0.51 0.00 0.77 0.00 0.00 66.41 66.36 1gwp h THR 58 Cb 0.58 -0.01 0.25 0.00 -1.74 0.00 0.00 68.15 67.23 1gwp h THR 58 CO 0.04 0.19 -1.99 0.55 0.37 0.00 0.00 175.52 174.68 1gwp n VAL 59 N -4.57 0.00 -0.32 3.16 3.14 -0.97 -4.76 118.33 114.02 1gwp n VAL 59 Ca 0.10 -0.22 -0.01 0.00 -2.96 0.00 0.00 64.34 61.25 1gwp n VAL 59 Cb 0.10 -0.16 0.04 0.00 -1.06 0.00 0.00 33.84 32.76 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 -1.23 0.12 0.00 7.55 0.00 -1.86 -3.46 103.07 104.19 1gwp h GLY 60 Ca -0.43 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1gwp h GLY 60 CO 0.26 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1gwp n GLY 61 N -1.48 0.68 3.66 4.60 0.00 -1.26 -5.10 105.19 106.29 1gwp n GLY 61 Ca 0.09 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.21 3.40 0.04 1.61 3.76 -1.26 -4.95 115.29 117.67 1gwp s HIS 62 Ca 0.00 1.20 -0.21 0.00 -0.15 0.00 0.00 55.06 55.90 1gwp s HIS 62 Cb 0.00 -3.00 -0.14 0.00 1.11 0.00 0.00 32.58 30.55 1gwp s HIS 62 CO 0.00 -0.26 1.40 0.37 -0.85 0.00 0.00 174.74 175.40 1gwp h GLN 63 N 7.40 0.27 -0.02 1.40 4.15 -1.99 0.19 115.11 126.51 1gwp h GLN 63 Ca -0.28 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 1gwp h GLN 63 Cb 1.13 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.80 1gwp h GLN 63 CO 0.84 0.60 0.01 0.00 -1.93 0.00 0.00 178.83 178.35 1gwp h ALA 64 N 0.67 0.03 0.13 3.38 0.00 -1.98 0.41 119.26 121.89 1gwp h ALA 64 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gwp h ALA 64 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1gwp h ALA 64 CO 0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 179.25 178.68 1gwp h ALA 65 N 0.95 -0.27 -0.49 0.00 0.00 -1.97 -1.05 119.26 116.44 1gwp h ALA 65 Ca 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1gwp h ALA 65 Cb 0.06 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1gwp h ALA 65 CO -0.00 -0.68 0.32 0.52 0.00 0.00 0.00 179.25 179.42 1gwp h MET 66 N -0.31 0.44 0.16 0.00 2.07 -0.42 -1.13 114.93 115.74 1gwp h MET 66 Ca 0.01 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1gwp h MET 66 Cb 0.30 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 1gwp h MET 66 CO -0.05 0.29 -0.08 0.37 1.07 0.00 0.00 176.91 178.51 1gwp h GLN 67 N 0.45 -0.21 -0.99 1.72 4.15 0.80 -0.13 115.11 120.90 1gwp h GLN 67 Ca 0.21 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.65 1gwp h GLN 67 Cb 0.25 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1gwp h GLN 67 CO -0.05 -0.03 0.66 0.52 -1.93 0.00 0.00 178.83 177.99 1gwp h MET 68 N -0.35 1.31 -0.63 1.69 2.86 -0.60 -0.66 114.93 118.55 1gwp h MET 68 Ca -0.02 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1gwp h MET 68 Cb 0.27 -0.29 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1gwp h MET 68 CO 0.04 0.86 0.22 1.25 1.06 0.00 0.00 176.91 180.34 1gwp h LEU 69 N 1.35 0.87 -0.31 1.22 5.85 -1.01 -0.56 115.31 122.71 1gwp h LEU 69 Ca 0.36 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1gwp h LEU 69 Cb -0.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 1gwp h LEU 69 CO -0.08 0.80 0.07 0.50 -0.34 0.00 0.00 178.44 179.39 1gwp h LYS 70 N 0.92 0.50 -0.29 1.25 3.64 0.05 0.19 116.57 122.82 1gwp h LYS 70 Ca 0.21 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1gwp h LYS 70 Cb 0.23 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1gwp h LYS 70 CO -0.01 0.58 0.13 1.49 -2.27 0.00 0.00 179.45 179.38 1gwp h GLU 71 N 0.34 0.28 0.90 1.90 4.81 -0.67 0.23 114.58 122.37 1gwp h GLU 71 Ca 0.10 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1gwp h GLU 71 Cb 0.31 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.64 1gwp h GLU 71 CO 0.00 0.18 -0.43 1.15 -0.73 0.00 0.00 179.01 179.18 1gwp h THR 72 N 0.29 0.00 -0.72 0.32 2.02 -0.95 0.96 112.91 114.83 1gwp h THR 72 Ca 0.12 -0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.46 1gwp h THR 72 Cb 0.05 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.35 1gwp h THR 72 CO -0.10 0.00 0.07 0.40 0.37 0.00 0.00 175.52 176.26 1gwp h ILE 73 N -1.22 0.44 -0.48 3.11 2.04 -0.87 1.11 117.51 121.64 1gwp h ILE 73 Ca -0.12 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1gwp h ILE 73 Cb 0.93 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1gwp h ILE 73 CO 0.20 0.03 0.32 -1.13 0.00 0.00 0.00 178.15 177.57 1gwp h ASN 74 N 0.16 0.46 0.72 1.72 -0.73 -0.32 -1.50 115.58 116.09 1gwp h ASN 74 Ca 0.39 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.52 1gwp h ASN 74 Cb 0.68 -0.11 0.01 0.00 0.27 0.00 0.00 38.32 39.17 1gwp h ASN 74 CO -0.58 0.32 -0.35 -0.33 -0.37 0.00 0.00 177.43 176.13 1gwp h GLU 75 N 0.54 -0.94 -0.86 6.67 5.08 0.38 -0.94 114.58 124.51 1gwp h GLU 75 Ca 0.19 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.83 1gwp h GLU 75 Cb 0.10 0.21 -0.13 0.00 0.50 0.00 0.00 28.75 29.44 1gwp h GLU 75 CO -0.05 -0.62 0.28 1.49 -1.00 0.00 0.00 179.01 179.11 1gwp h GLU 76 N -1.17 0.28 -0.22 2.33 4.22 -0.78 0.37 114.58 119.61 1gwp h GLU 76 Ca -0.10 -0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.33 1gwp h GLU 76 Cb 0.74 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1gwp h GLU 76 CO 0.16 0.19 0.12 0.00 -2.18 0.00 0.00 179.01 177.30 1gwp h ALA 77 N 1.72 0.26 -0.47 2.92 0.00 -1.20 -0.10 119.26 122.40 1gwp h ALA 77 Ca 0.53 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.53 1gwp h ALA 77 Cb 1.02 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1gwp h ALA 77 CO -0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 179.25 178.36 1gwp h ALA 78 N 1.10 0.42 -0.76 0.00 0.00 0.11 0.16 119.26 120.28 1gwp h ALA 78 Ca 0.09 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1gwp h ALA 78 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1gwp h ALA 78 CO -0.05 -0.40 0.51 0.93 0.00 0.00 0.00 179.25 180.24 1gwp h GLU 79 N 0.09 0.98 -0.29 0.00 5.08 -0.53 -0.94 114.58 118.97 1gwp h GLU 79 Ca 0.23 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1gwp h GLU 79 Cb 0.35 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1gwp h GLU 79 CO -0.40 0.65 0.10 2.35 -1.00 0.00 0.00 179.01 180.70 1gwp h TRP 80 N 1.01 0.18 -0.24 4.33 2.91 0.11 0.43 115.95 124.68 1gwp h TRP 80 Ca 0.29 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.34 1gwp h TRP 80 Cb -0.07 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.52 1gwp h TRP 80 CO -0.00 0.08 0.10 0.22 -1.03 0.00 0.00 178.44 177.80 1gwp h ASP 81 N 0.23 0.12 -0.50 2.65 1.82 -0.19 1.40 116.42 121.95 1gwp h ASP 81 Ca 0.13 0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.81 1gwp h ASP 81 Cb 0.09 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 1gwp h ASP 81 CO -0.13 0.10 0.33 0.03 -1.61 0.00 0.00 179.24 177.96 1gwp h ARG 82 N 0.21 0.56 0.02 0.28 3.08 -0.42 -1.86 114.38 116.26 1gwp h ARG 82 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1gwp h ARG 82 Cb 0.06 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1gwp h ARG 82 CO -0.09 0.37 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.10 1gwp h LEU 83 N 0.58 -0.03 -7.51 3.04 3.38 0.11 -3.40 115.31 111.48 1gwp h LEU 83 Ca 0.20 -0.72 -0.68 0.00 0.09 0.00 0.00 57.88 56.77 1gwp h LEU 83 Cb 0.07 0.01 -0.37 0.00 0.09 0.00 0.00 40.66 40.46 1gwp h LEU 83 CO -0.05 0.76 -0.46 -1.00 0.09 0.00 0.00 178.44 177.78 1gwp s HIS 84 N -2.74 3.35 -0.46 1.13 3.76 0.47 -5.05 115.29 115.75 1gwp s HIS 84 Ca -0.16 -2.87 -0.28 0.00 -0.15 0.00 0.00 55.06 51.60 1gwp s HIS 84 Cb -0.01 -3.07 0.01 0.00 1.11 0.00 0.00 32.58 30.61 1gwp s HIS 84 CO 0.59 -0.81 1.44 -1.25 -0.85 0.00 0.00 174.74 173.86 1gwp s PRO 85 N -0.10 3.46 -0.26 8.40 0.04 -0.73 -4.37 135.00 141.43 1gwp s PRO 85 Ca 0.17 0.81 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1gwp s PRO 85 Cb -0.22 -4.07 0.07 0.00 0.04 0.00 0.00 34.50 30.32 1gwp s PRO 85 CO -0.02 -1.72 -0.01 0.14 0.04 0.00 0.00 177.00 175.43 1gwp s VAL 86 N 5.78 1.52 -1.00 -0.36 -7.23 -1.26 -5.06 120.40 112.79 1gwp s VAL 86 Ca 0.60 -1.42 -0.16 0.00 -1.81 0.00 0.00 61.98 59.18 1gwp s VAL 86 Cb -0.13 -1.90 0.16 0.00 0.56 0.00 0.00 36.38 35.07 1gwp s VAL 86 CO 0.30 -0.29 1.15 -2.28 -0.31 0.00 0.00 175.10 173.68 1gwp s HIS 87 N 1.36 3.39 0.21 2.82 2.46 -1.26 -4.94 115.29 119.32 1gwp s HIS 87 Ca -0.00 -1.75 -0.09 0.00 0.47 0.00 0.00 55.06 53.69 1gwp s HIS 87 Cb -0.19 -4.19 -0.01 0.00 -0.13 0.00 0.00 32.58 28.06 1gwp s HIS 87 CO -0.10 -1.36 0.33 0.00 -2.47 0.00 0.00 174.74 171.15 1gwp s ALA 88 N 1.77 0.18 0.00 1.58 0.00 -1.26 -5.18 121.76 118.85 1gwp s ALA 88 Ca 0.33 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1gwp s ALA 88 Cb -0.05 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.14 1gwp s ALA 88 CO -0.07 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1gwp n GLY 89 N -0.30 2.65 3.56 0.00 0.00 -1.26 -4.98 105.19 104.86 1gwp n GLY 89 Ca -0.03 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 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 4.74 3.08 0.46 1.61 0.04 -1.26 -4.95 135.00 138.73 1gwp s PRO 90 Ca 0.00 -0.67 -0.19 0.00 0.04 0.00 0.00 61.00 60.18 1gwp s PRO 90 Cb 0.00 -5.16 -0.15 0.00 0.04 0.00 0.00 34.50 29.23 1gwp s PRO 90 CO 0.00 -2.75 -0.03 -0.89 0.04 0.00 0.00 177.00 173.37 1gwp n ILE 91 N 7.33 0.27 -2.18 0.56 5.41 -1.26 -4.89 119.36 124.61 1gwp n ILE 91 Ca 0.35 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 63.27 1gwp n ILE 91 Cb 0.49 -0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.41 1gwp n ILE 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gwp s ALA 92 N -1.87 2.85 -1.07 -1.39 0.00 -1.26 -4.93 121.76 114.10 1gwp s ALA 92 Ca 0.58 0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 1gwp s ALA 92 Cb -0.56 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.36 1gwp s ALA 92 CO 0.65 -0.61 1.75 -1.25 0.00 0.00 0.00 175.76 176.29 1gwp s PRO 93 N -4.04 3.15 0.00 0.00 0.04 -1.26 -1.89 135.00 131.00 1gwp s PRO 93 Ca 0.62 -1.04 0.00 0.00 0.04 0.00 0.00 61.00 60.62 1gwp s PRO 93 Cb -0.14 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1gwp s PRO 93 CO 0.34 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1gwp n GLY 94 N 6.40 0.28 0.09 0.56 0.00 -1.26 -5.01 105.19 106.24 1gwp n GLY 94 Ca 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 1gwp n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gwp n GLN 95 N 0.00 0.51 -1.14 1.61 1.13 -0.79 -5.10 117.38 113.60 1gwp n GLN 95 Ca 0.00 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.60 1gwp n GLN 95 Cb 0.00 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.64 1gwp n GLN 95 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1gwp n MET 96 N -4.51 -3.06 -3.81 -1.09 0.00 -1.24 -5.01 117.12 98.40 1gwp n MET 96 Ca -0.21 2.35 -0.09 0.00 -0.00 0.00 0.00 57.70 59.76 1gwp n MET 96 Cb 0.49 -2.87 0.03 0.00 0.00 0.00 0.00 33.22 30.88 1gwp n MET 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1gwp s ARG 97 N -4.85 2.24 -0.32 2.12 6.06 -1.26 -4.98 118.95 117.95 1gwp s ARG 97 Ca 0.00 -1.46 -0.28 0.00 -2.50 0.00 0.00 55.73 51.50 1gwp s ARG 97 Cb 0.00 0.62 0.01 0.00 0.06 0.00 0.00 34.95 35.64 1gwp s ARG 97 CO 0.00 -1.05 1.00 -1.21 -2.50 0.00 0.00 175.30 171.54 1gwp s GLU 98 N -2.13 4.02 0.83 5.12 2.02 -1.26 -5.03 118.70 122.27 1gwp s GLU 98 Ca 0.16 0.92 -0.12 0.00 0.02 0.00 0.00 54.97 55.95 1gwp s GLU 98 Cb -0.05 -3.74 0.09 0.00 0.10 0.00 0.00 34.13 30.53 1gwp s GLU 98 CO 0.12 -0.86 1.11 -1.25 0.02 0.00 0.00 175.26 174.40 1gwp s PRO 99 N 3.49 1.78 -0.29 0.39 0.04 -1.26 -4.77 135.00 134.37 1gwp s PRO 99 Ca 0.42 0.53 0.08 0.00 0.04 0.00 0.00 61.00 62.07 1gwp s PRO 99 Cb -0.13 -1.89 0.47 0.00 0.04 0.00 0.00 34.50 32.99 1gwp s PRO 99 CO 0.15 -1.81 1.37 2.89 0.04 0.00 0.00 177.00 179.65 1gwp n ARG 100 N -3.54 2.20 0.00 4.56 1.85 -1.26 -4.91 116.66 115.56 1gwp n ARG 100 Ca 0.07 -3.45 0.00 0.00 -1.00 0.00 0.00 57.85 53.47 1gwp n ARG 100 Cb 0.57 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 1gwp n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1gwp n GLY 101 N -1.02 1.96 0.56 2.89 0.00 -1.26 -2.88 105.19 105.43 1gwp n GLY 101 Ca 0.34 -0.25 0.38 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 -0.20 1.61 0.87 -1.93 1.58 113.55 115.48 1gwp h SER 102 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1gwp h SER 102 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1gwp h SER 102 CO 0.00 0.00 -0.56 0.44 -0.53 0.00 0.00 176.83 176.18 1gwp h ASP 103 N 0.00 0.89 -0.15 6.23 5.19 -1.95 -2.63 116.42 124.01 1gwp h ASP 103 Ca 0.61 -0.48 0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1gwp h ASP 103 Cb 2.47 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 41.72 1gwp h ASP 103 CO -0.01 1.27 0.16 0.40 -3.12 0.00 0.00 179.24 177.94 1gwp h ILE 104 N 0.61 0.55 0.00 0.35 2.04 0.19 0.67 117.51 121.91 1gwp h ILE 104 Ca 0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1gwp h ILE 104 Cb 1.16 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1gwp h ILE 104 CO 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.92 1gwp h ALA 105 N 1.83 0.79 0.00 1.87 0.00 -1.09 -3.47 119.26 119.20 1gwp h ALA 105 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1gwp h ALA 105 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gwp h ALA 105 CO -0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1gwp n GLY 106 N 1.04 0.67 0.29 0.00 0.00 0.23 -4.96 105.19 102.46 1gwp n GLY 106 Ca 0.02 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 1gwp n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1gwp h THR 107 N 0.00 1.27 0.00 2.61 2.02 -1.71 -3.31 112.91 113.78 1gwp h THR 107 Ca 0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1gwp h THR 107 Cb 0.26 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1gwp h THR 107 CO 0.00 0.44 -1.19 0.41 0.37 0.00 0.00 175.52 175.55 1gwp n THR 108 N -4.15 0.00 -4.36 3.16 -1.04 -1.26 -5.03 114.28 101.60 1gwp n THR 108 Ca 0.02 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.05 61.65 1gwp n THR 108 Cb 0.39 0.41 -0.08 0.00 -1.82 0.00 0.00 70.33 69.23 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 -2.56 4.18 0.34 8.00 1.04 -1.25 -5.03 113.70 118.42 1gwp s SER 109 Ca -0.02 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.62 1gwp s SER 109 Cb 0.04 -0.61 0.04 0.00 0.10 0.00 0.00 66.02 65.58 1gwp s SER 109 CO 0.23 -0.04 0.33 0.35 0.98 0.00 0.00 173.24 175.09 1gwp n THR 110 N -0.83 0.00 0.13 2.02 -2.24 -1.26 -4.10 114.28 108.00 1gwp n THR 110 Ca -0.05 -1.27 -0.14 0.00 -2.27 0.00 0.00 64.05 60.32 1gwp n THR 110 Cb 0.60 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.37 1gwp n THR 110 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1gwp h LEU 111 N 0.00 -1.08 -0.88 3.22 5.85 -1.98 -0.63 115.31 119.82 1gwp h LEU 111 Ca -0.19 0.12 0.24 0.00 0.84 0.00 0.00 57.88 58.88 1gwp h LEU 111 Cb 0.77 0.40 -0.15 0.00 0.37 0.00 0.00 40.66 42.05 1gwp h LEU 111 CO 0.30 -0.46 0.16 1.56 -0.34 0.00 0.00 178.44 179.66 1gwp h GLN 112 N -0.62 0.14 -0.66 1.25 4.20 -1.99 0.81 115.11 118.25 1gwp h GLN 112 Ca 0.02 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1gwp h GLN 112 Cb 0.64 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1gwp h GLN 112 CO -0.20 0.09 0.40 1.49 -0.67 0.00 0.00 178.83 179.94 1gwp h GLU 113 N 0.14 0.89 -0.37 1.46 4.57 -1.62 -0.81 114.58 118.84 1gwp h GLU 113 Ca 0.54 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.63 1gwp h GLU 113 Cb 1.10 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1gwp h GLU 113 CO -0.71 0.62 0.16 1.96 -1.18 0.00 0.00 179.01 179.86 1gwp h GLN 114 N 0.89 0.54 -0.87 1.92 7.50 0.19 -1.30 115.11 123.98 1gwp h GLN 114 Ca 0.24 -0.09 0.06 0.00 0.50 0.00 0.00 58.65 59.35 1gwp h GLN 114 Cb -0.04 -0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.34 1gwp h GLN 114 CO -0.05 0.50 0.57 0.82 -1.50 0.00 0.00 178.83 179.17 1gwp h ILE 115 N 0.45 1.08 0.33 2.54 1.08 -0.11 -0.35 117.51 122.54 1gwp h ILE 115 Ca 0.13 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1gwp h ILE 115 Cb 0.15 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 1gwp h ILE 115 CO -0.01 0.18 -0.16 1.23 -0.69 0.00 0.00 178.15 178.70 1gwp h GLY 116 N 1.01 -0.47 0.68 5.37 0.00 -0.57 1.47 103.07 110.57 1gwp h GLY 116 Ca 0.37 0.17 0.15 0.00 0.00 0.00 0.00 47.33 48.02 1gwp h GLY 116 CO -0.13 -0.17 0.51 1.49 0.00 0.00 0.00 176.54 178.24 1gwp h TRP 117 N -0.60 0.51 0.00 5.60 6.55 -0.77 0.86 115.95 128.09 1gwp h TRP 117 Ca -0.05 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.81 1gwp h TRP 117 Cb 0.44 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 28.58 1gwp h TRP 117 CO -0.01 0.19 -0.45 1.98 -1.05 0.00 0.00 178.44 179.10 1gwp h MET 118 N 0.44 0.00 -0.40 0.49 4.05 -0.56 0.32 114.93 119.27 1gwp h MET 118 Ca 0.37 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.79 1gwp h MET 118 Cb 0.83 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 1gwp h MET 118 CO -0.12 0.01 0.00 2.41 0.23 0.00 0.00 176.91 179.43 1gwp n THR 119 N -2.92 2.51 -4.27 -0.77 -1.04 0.50 -4.40 114.28 103.89 1gwp n THR 119 Ca 0.02 -1.67 -0.24 0.00 -2.04 0.00 0.00 64.05 60.11 1gwp n THR 119 Cb 0.54 -0.27 -0.08 0.00 -1.82 0.00 0.00 70.33 68.71 1gwp n THR 119 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1gwp s HIS 120 N -2.81 2.59 -0.21 -1.42 4.02 0.24 -4.93 115.29 112.78 1gwp s HIS 120 Ca 0.48 -0.44 -0.04 0.00 1.02 0.00 0.00 55.06 56.07 1gwp s HIS 120 Cb 0.38 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.58 30.35 1gwp s HIS 120 CO 0.12 0.42 -0.04 -0.80 1.02 0.00 0.00 174.74 175.46 1gwp s ASN 121 N -3.76 4.42 0.78 1.40 0.01 -1.26 -0.06 114.94 116.46 1gwp s ASN 121 Ca 0.36 -0.34 -0.11 0.00 -0.71 0.00 0.00 52.86 52.06 1gwp s ASN 121 Cb 0.00 -1.75 0.06 0.00 0.41 0.00 0.00 41.25 39.96 1gwp s ASN 121 CO 0.20 0.01 1.09 -2.16 -1.51 0.00 0.00 177.10 174.73 1gwp s PRO 122 N 1.29 2.26 -0.22 -0.60 0.04 -1.26 -5.08 135.00 131.42 1gwp s PRO 122 Ca 0.04 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 1gwp s PRO 122 Cb -0.14 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1gwp s PRO 122 CO -0.01 -1.52 1.31 -1.25 0.04 0.00 0.00 177.00 175.57 1gwp s PRO 123 N -5.13 4.07 -0.17 0.56 0.04 0.92 -4.90 135.00 130.39 1gwp s PRO 123 Ca 0.60 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.87 1gwp s PRO 123 Cb -0.14 -3.83 -0.01 0.00 0.04 0.00 0.00 34.50 30.55 1gwp s PRO 123 CO 0.54 -0.92 0.90 0.42 0.04 0.00 0.00 177.00 177.98 1gwp s ILE 124 N 3.99 4.83 0.00 0.56 1.09 0.11 -4.92 121.20 126.86 1gwp s ILE 124 Ca 0.57 1.77 -0.04 0.00 -1.10 0.00 0.00 60.65 61.85 1gwp s ILE 124 Cb -0.20 -4.20 -0.20 0.00 -1.06 0.00 0.00 42.46 36.80 1gwp s ILE 124 CO 0.19 -0.01 2.83 -0.81 -0.10 0.00 0.00 174.94 177.04 1gwp n PRO 125 N 5.37 1.49 -0.24 2.79 -0.04 -1.26 -3.68 135.00 139.43 1gwp n PRO 125 Ca 0.06 -0.74 0.20 0.00 -0.04 0.00 0.00 63.50 62.99 1gwp n PRO 125 Cb 0.48 -1.86 0.53 0.00 -0.04 0.00 0.00 33.50 32.61 1gwp n PRO 125 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1gwp h VAL 126 N 2.23 0.66 0.00 0.52 3.04 -1.90 0.41 116.25 121.21 1gwp h VAL 126 Ca 0.14 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 1gwp h VAL 126 Cb 1.14 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1gwp h VAL 126 CO 0.29 0.07 0.00 0.61 -1.01 0.00 0.00 177.57 177.53 1gwp n GLY 127 N -1.53 -1.56 0.47 3.17 0.00 -1.26 -1.49 105.19 102.98 1gwp n GLY 127 Ca 0.19 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.52 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 0.20 0.72 1.61 5.08 -1.76 0.34 114.58 120.77 1gwp h GLU 128 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1gwp h GLU 128 Cb 0.00 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1gwp h GLU 128 CO 0.00 0.13 -0.35 0.82 -1.00 0.00 0.00 179.01 178.61 1gwp h ILE 129 N 0.20 0.16 -0.90 3.13 2.04 -0.21 -1.02 117.51 120.91 1gwp h ILE 129 Ca 0.63 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 66.35 1gwp h ILE 129 Cb 2.00 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 1gwp h ILE 129 CO -0.22 0.01 0.59 0.22 0.00 0.00 0.00 178.15 178.76 1gwp h TYR 130 N -1.15 1.03 -0.42 1.37 3.20 0.28 0.11 116.97 121.39 1gwp h TYR 130 Ca -0.10 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.83 1gwp h TYR 130 Cb 0.77 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1gwp h TYR 130 CO -0.00 0.53 0.22 -0.22 -1.64 0.00 0.00 178.16 177.05 1gwp h LYS 131 N 1.01 0.44 -0.24 1.82 3.64 -0.32 0.20 116.57 123.12 1gwp h LYS 131 Ca 0.39 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.64 1gwp h LYS 131 Cb 0.23 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1gwp h LYS 131 CO -0.15 0.29 -0.30 -0.09 -2.27 0.00 0.00 179.45 176.92 1gwp h ARG 132 N 0.45 0.49 0.50 1.90 2.43 -0.07 -1.33 114.38 118.74 1gwp h ARG 132 Ca 0.18 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1gwp h ARG 132 Cb 0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1gwp h ARG 132 CO -0.11 0.74 -0.24 -1.49 -1.51 0.00 0.00 179.97 177.36 1gwp h TRP 133 N 0.42 -0.62 -0.68 2.20 4.06 0.16 0.47 115.95 121.96 1gwp h TRP 133 Ca 0.05 -0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.13 1gwp h TRP 133 Cb 0.74 0.21 -0.13 0.00 -1.00 0.00 0.00 29.16 28.98 1gwp h TRP 133 CO 0.02 -0.39 -0.16 0.82 -3.56 0.00 0.00 178.44 175.18 1gwp h ILE 134 N -0.72 0.33 -0.11 1.49 2.04 -0.65 1.57 117.51 121.45 1gwp h ILE 134 Ca -0.07 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1gwp h ILE 134 Cb 0.52 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1gwp h ILE 134 CO 0.11 0.00 0.07 0.40 0.00 0.00 0.00 178.15 178.74 1gwp h ILE 135 N 0.00 0.98 -0.08 -0.67 5.03 -1.11 0.11 117.51 121.78 1gwp h ILE 135 Ca 0.33 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 65.04 1gwp h ILE 135 Cb 0.50 0.91 -0.00 0.00 -3.03 0.00 0.00 36.82 35.20 1gwp h ILE 135 CO -0.69 0.01 0.03 0.25 -0.68 0.00 0.00 178.15 177.07 1gwp h LEU 136 N 0.07 0.11 0.06 1.44 6.46 0.71 -0.28 115.31 123.87 1gwp h LEU 136 Ca 0.05 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1gwp h LEU 136 Cb 0.10 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1gwp h LEU 136 CO -0.01 0.26 -0.03 1.23 -0.62 0.00 0.00 178.44 179.28 1gwp h GLY 137 N -0.04 -0.08 -0.01 3.75 0.00 -0.05 -1.19 103.07 105.45 1gwp h GLY 137 Ca 0.03 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.50 1gwp h GLY 137 CO -0.00 -0.03 -0.04 1.41 0.00 0.00 0.00 176.54 177.88 1gwp h LEU 138 N -0.38 -0.33 -0.35 3.11 3.38 -0.80 0.47 115.31 120.41 1gwp h LEU 138 Ca -0.01 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1gwp h LEU 138 Cb 0.34 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1gwp h LEU 138 CO 0.01 -0.12 0.20 -1.13 0.09 0.00 0.00 178.44 177.49 1gwp h ASN 139 N 0.08 0.32 -0.70 -0.43 -0.73 -0.96 0.29 115.58 113.46 1gwp h ASN 139 Ca 0.29 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.53 1gwp h ASN 139 Cb 0.45 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.93 1gwp h ASN 139 CO -0.51 0.23 0.46 0.50 -0.37 0.00 0.00 177.43 177.74 1gwp h LYS 140 N 0.41 0.66 -0.06 6.67 1.63 0.45 0.65 116.57 126.98 1gwp h LYS 140 Ca 0.14 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1gwp h LYS 140 Cb 0.01 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1gwp h LYS 140 CO -0.07 0.44 -0.07 0.82 -3.45 0.00 0.00 179.45 177.12 1gwp h ILE 141 N 0.68 1.38 -0.50 2.00 2.04 0.12 -2.84 117.51 120.40 1gwp h ILE 141 Ca 0.30 -1.26 0.12 0.00 1.00 0.00 0.00 64.86 65.02 1gwp h ILE 141 Cb 0.31 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1gwp h ILE 141 CO -0.10 0.35 0.35 0.58 0.00 0.00 0.00 178.15 179.33 1gwp h VAL 142 N -0.29 0.82 -0.03 1.67 2.07 0.53 0.99 116.25 122.01 1gwp h VAL 142 Ca 0.01 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1gwp h VAL 142 Cb 0.60 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1gwp h VAL 142 CO 0.02 0.03 0.01 -0.09 0.02 0.00 0.00 177.57 177.56 1gwp h ARG 143 N 0.14 0.04 0.00 1.57 9.65 -0.68 -1.30 114.38 123.80 1gwp h ARG 143 Ca 0.24 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.10 1gwp h ARG 143 Cb 0.75 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.32 1gwp h ARG 143 CO -0.03 0.17 -0.04 1.98 2.80 0.00 0.00 179.97 184.85 1gwp h MET 144 N -0.10 0.00 -0.88 0.20 4.05 -0.93 -3.21 114.93 114.06 1gwp h MET 144 Ca 0.01 0.00 -0.53 0.00 -0.28 0.00 0.00 59.70 58.90 1gwp h MET 144 Cb 0.14 0.00 -0.28 0.00 -0.80 0.00 0.00 31.60 30.66 1gwp h MET 144 CO -0.00 0.04 0.51 0.98 0.23 0.00 0.00 176.91 178.67 1gwp n TYR 145 N -3.11 2.82 -3.78 1.39 4.19 0.33 -4.74 117.16 114.25 1gwp n TYR 145 Ca 0.04 -2.29 -0.28 0.00 3.31 0.00 0.00 57.90 58.68 1gwp n TYR 145 Cb 0.54 -1.02 -0.11 0.00 0.49 0.00 0.00 39.34 39.24 1gwp n TYR 145 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1gwp n SER 146 N -1.03 3.09 -2.26 2.98 2.88 -0.52 -4.84 113.62 113.93 1gwp n SER 146 Ca 0.56 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 1gwp n SER 146 Cb 1.15 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1gwp n SER 146 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1gwp n PRO 147 N 1.73 -0.48 -4.33 -1.46 -0.04 -1.26 -5.03 135.00 124.13 1gwp n PRO 147 Ca 0.22 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.42 1gwp n PRO 147 Cb 0.37 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.73 1gwp n PRO 147 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gwp s THR 148 N -0.99 2.94 0.01 0.52 -1.32 -1.26 -5.06 115.64 110.48 1gwp s THR 148 Ca 0.00 -1.78 -0.38 0.00 -1.21 0.00 0.00 61.69 58.32 1gwp s THR 148 Cb 0.00 -2.45 -0.19 0.00 -1.51 0.00 0.00 72.50 68.35 1gwp s THR 148 CO 0.00 -0.12 1.00 -1.20 -2.21 0.00 0.00 174.62 172.09 1gwp n SER 149 N 0.08 -0.09 -4.84 8.08 7.64 -1.26 -4.92 113.62 118.31 1gwp n SER 149 Ca -0.11 1.13 -0.29 0.00 1.01 0.00 0.00 58.87 60.60 1gwp n SER 149 Cb 0.56 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 1gwp n SER 149 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1gwp s ILE 150 N -0.07 4.87 -2.20 0.44 -1.09 -1.26 -5.34 121.20 116.56 1gwp s ILE 150 Ca 0.87 -0.69 0.30 0.00 -2.23 0.00 0.00 60.65 58.90 1gwp s ILE 150 Cb -1.21 -3.40 0.77 0.00 -1.58 0.00 0.00 42.46 37.03 1gwp s ILE 150 CO 0.55 0.07 2.03 0.00 -1.23 0.00 0.00 174.94 176.37