#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gjv s ALA 0 N 0.00 3.09 0.17 5.41 0.00 -1.26 -4.90 121.76 124.27 2gjv s ALA 0 Ca 0.00 0.98 -0.31 0.00 0.00 0.00 0.00 51.96 52.64 2gjv s ALA 0 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 2gjv s ALA 0 CO 0.00 -0.62 1.38 1.41 0.00 0.00 0.00 175.76 177.93 2gjv s MET 1 N -2.45 4.33 -0.38 0.00 1.75 -1.26 -4.99 119.30 116.30 2gjv s MET 1 Ca 0.60 2.12 -0.11 0.00 -1.25 0.00 0.00 55.69 57.04 2gjv s MET 1 Cb -0.31 -3.20 0.03 0.00 2.84 0.00 0.00 34.83 34.19 2gjv s MET 1 CO 0.38 -0.38 0.22 -1.21 -0.65 0.00 0.00 175.02 173.38 2gjv s GLU 2 N 0.47 2.81 0.24 4.11 2.02 -1.26 -4.99 118.70 122.10 2gjv s GLU 2 Ca 0.61 -1.12 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 2gjv s GLU 2 Cb -0.38 -3.76 0.43 0.00 0.10 0.00 0.00 34.13 30.52 2gjv s GLU 2 CO 0.35 -0.73 1.77 1.15 0.02 0.00 0.00 175.26 177.81 2gjv h THR 3 N 5.88 0.78 -0.23 3.63 2.02 -1.98 -0.85 112.91 122.16 2gjv h THR 3 Ca -0.25 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 2gjv h THR 3 Cb 1.10 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2gjv h THR 3 CO 0.68 0.11 -0.14 0.25 0.37 0.00 0.00 175.52 176.80 2gjv h LEU 4 N 0.59 0.36 -0.90 2.58 5.85 -1.99 -1.87 115.31 119.94 2gjv h LEU 4 Ca 0.40 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.97 2gjv h LEU 4 Cb 0.51 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2gjv h LEU 4 CO -0.32 0.53 0.07 -1.28 -0.34 0.00 0.00 178.44 177.09 2gjv h SER 5 N 0.35 0.84 -0.04 1.25 0.87 -1.59 0.33 113.55 115.56 2gjv h SER 5 Ca 0.07 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2gjv h SER 5 Cb 0.45 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2gjv h SER 5 CO 0.03 0.86 0.01 0.58 -0.53 0.00 0.00 176.83 177.77 2gjv h VAL 6 N 0.83 1.21 -0.80 2.23 2.07 -0.94 -0.58 116.25 120.26 2gjv h VAL 6 Ca 0.17 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2gjv h VAL 6 Cb 0.40 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 2gjv h VAL 6 CO 0.01 0.17 0.51 0.40 0.02 0.00 0.00 177.57 178.68 2gjv h ILE 7 N -0.19 1.12 -0.71 4.57 1.08 -1.11 -2.00 117.51 120.26 2gjv h ILE 7 Ca 0.01 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 2gjv h ILE 7 Cb 0.27 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 2gjv h ILE 7 CO 0.00 0.18 0.36 0.45 -0.69 0.00 0.00 178.15 178.45 2gjv h HIS 8 N 0.99 0.98 -0.78 1.37 3.86 -0.10 -1.99 115.15 119.49 2gjv h HIS 8 Ca 0.32 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.47 2gjv h HIS 8 Cb 0.02 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.15 2gjv h HIS 8 CO -0.03 0.70 0.37 1.15 0.86 0.00 0.00 177.93 180.98 2gjv h THR 9 N 0.99 1.25 0.14 2.45 2.02 -0.39 0.04 112.91 119.41 2gjv h THR 9 Ca 0.25 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2gjv h THR 9 Cb 0.07 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2gjv h THR 9 CO -0.04 0.30 -0.07 0.58 0.37 0.00 0.00 175.52 176.66 2gjv h VAL 10 N 1.10 0.90 0.26 3.16 2.07 -1.14 -1.71 116.25 120.89 2gjv h VAL 10 Ca 0.27 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2gjv h VAL 10 Cb 0.13 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2gjv h VAL 10 CO -0.03 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.43 2gjv h ALA 11 N 0.57 -0.40 -0.17 1.67 0.00 -1.13 -1.35 119.26 118.46 2gjv h ALA 11 Ca -0.02 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2gjv h ALA 11 Cb 0.22 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2gjv h ALA 11 CO 0.03 -0.73 -0.04 -0.97 0.00 0.00 0.00 179.25 177.54 2gjv h ASN 12 N -0.41 -0.16 -0.50 0.00 -1.24 -1.03 -0.22 115.58 112.02 2gjv h ASN 12 Ca -0.02 0.05 0.09 0.00 0.71 0.00 0.00 56.30 57.13 2gjv h ASN 12 Cb 0.35 0.10 -0.07 0.00 0.73 0.00 0.00 38.32 39.43 2gjv h ASN 12 CO 0.02 -0.05 0.09 -0.09 -1.29 0.00 0.00 177.43 176.10 2gjv h ARG 13 N 0.00 0.21 -0.78 6.67 9.65 -1.20 -1.01 114.38 127.93 2gjv h ARG 13 Ca 0.08 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 2gjv h ARG 13 Cb 0.12 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 2gjv h ARG 13 CO -0.17 0.14 0.37 1.25 2.80 0.00 0.00 179.97 184.36 2gjv h LEU 14 N 0.22 1.02 -0.54 3.80 5.85 -0.80 -2.49 115.31 122.37 2gjv h LEU 14 Ca 0.25 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2gjv h LEU 14 Cb 0.35 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2gjv h LEU 14 CO -0.34 0.87 -0.18 0.03 -0.34 0.00 0.00 178.44 178.47 2gjv h ARG 15 N 1.10 0.98 -0.33 1.25 3.08 -0.33 -0.87 114.38 119.25 2gjv h ARG 15 Ca 0.27 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 2gjv h ARG 15 Cb 0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2gjv h ARG 15 CO -0.03 1.07 -0.17 0.93 -1.07 0.00 0.00 179.97 180.70 2gjv h GLU 16 N 0.86 0.60 0.00 0.04 5.08 -1.07 -3.00 114.58 117.10 2gjv h GLU 16 Ca 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2gjv h GLU 16 Cb 0.75 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2gjv h GLU 16 CO 0.06 0.75 -0.66 1.28 -1.00 0.00 0.00 179.01 179.44 2gjv n LEU 17 N -4.15 0.66 -3.37 1.33 4.77 -0.95 -4.49 117.00 110.80 2gjv n LEU 17 Ca 0.00 0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.91 2gjv n LEU 17 Cb 0.37 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 2gjv n LEU 17 CO 0.42 -0.03 -0.25 0.59 -1.33 0.00 0.00 177.39 176.80 2gjv n ASN 18 N -2.03 0.49 0.29 -1.43 3.02 -0.34 -4.97 115.26 110.28 2gjv n ASN 18 Ca 0.03 -2.67 0.17 0.00 -0.03 0.00 0.00 54.58 52.08 2gjv n ASN 18 Cb 0.43 -0.62 0.86 0.00 -0.61 0.00 0.00 39.78 39.85 2gjv n ASN 18 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2gjv h PRO 19 N 4.87 0.00 -0.61 3.52 0.13 -1.75 -2.69 132.00 135.46 2gjv h PRO 19 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2gjv h PRO 19 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2gjv h PRO 19 CO 0.48 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 2gjv n ASP 20 N -3.33 3.54 -4.89 1.44 8.00 -1.26 -4.89 116.55 115.17 2gjv n ASP 20 Ca -0.01 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 2gjv n ASP 20 Cb 0.21 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 2gjv n ASP 20 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2gjv s MET 21 N -1.19 3.64 -0.42 -1.24 -1.94 -1.02 -4.12 119.30 113.01 2gjv s MET 21 Ca 0.44 -0.03 -0.15 0.00 -1.71 0.00 0.00 55.69 54.24 2gjv s MET 21 Cb 0.23 -2.94 0.04 0.00 2.01 0.00 0.00 34.83 34.17 2gjv s MET 21 CO 0.31 0.53 0.32 0.34 -0.01 0.00 0.00 175.02 176.51 2gjv s ASP 22 N -2.11 6.09 -0.21 3.03 2.15 0.10 -4.96 116.67 120.75 2gjv s ASP 22 Ca 0.36 -1.03 -0.09 0.00 0.43 0.00 0.00 52.55 52.22 2gjv s ASP 22 Cb -0.13 -2.15 -0.05 0.00 -0.30 0.00 0.00 42.92 40.29 2gjv s ASP 22 CO 0.21 -0.50 0.12 -0.63 -0.17 0.00 0.00 175.17 174.20 2gjv s ILE 23 N 1.66 5.14 0.09 4.11 -1.09 -1.26 -1.43 121.20 128.41 2gjv s ILE 23 Ca 0.04 0.10 0.05 0.00 -2.23 0.00 0.00 60.65 58.61 2gjv s ILE 23 Cb -0.20 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 2gjv s ILE 23 CO 0.09 0.40 -0.12 -1.00 -1.23 0.00 0.00 174.94 173.08 2gjv s HIS 24 N 0.72 1.15 -0.42 3.97 3.76 0.05 -4.99 115.29 119.54 2gjv s HIS 24 Ca 0.06 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.44 2gjv s HIS 24 Cb -0.13 -0.63 0.11 0.00 1.11 0.00 0.00 32.58 33.04 2gjv s HIS 24 CO 0.02 0.04 0.16 0.42 -0.85 0.00 0.00 174.74 174.53 2gjv s ILE 25 N -1.89 2.64 0.27 0.60 1.01 -1.26 -0.31 121.20 122.27 2gjv s ILE 25 Ca 0.02 -2.57 0.08 0.00 0.00 0.00 0.00 60.65 58.18 2gjv s ILE 25 Cb -0.06 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 2gjv s ILE 25 CO 0.01 -0.68 0.15 -0.55 0.00 0.00 0.00 174.94 173.87 2gjv s SER 26 N 0.77 5.16 0.35 3.58 0.15 -1.26 -5.02 113.70 117.43 2gjv s SER 26 Ca 0.12 -0.43 0.22 0.00 0.70 0.00 0.00 55.95 56.56 2gjv s SER 26 Cb -0.21 -1.14 0.22 0.00 -1.71 0.00 0.00 66.02 63.17 2gjv s SER 26 CO -0.05 -0.09 1.42 0.77 1.20 0.00 0.00 173.24 176.49 2gjv h SER 27 N 1.57 0.00 -3.64 5.45 4.64 -1.99 -3.46 113.55 116.12 2gjv h SER 27 Ca -0.46 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.35 2gjv h SER 27 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2gjv h SER 27 CO 0.61 0.05 0.16 -0.89 -0.87 0.00 0.00 176.83 175.88 2gjv s THR 28 N -3.23 4.49 0.34 2.95 2.01 -1.26 -5.04 115.64 115.90 2gjv s THR 28 Ca 0.04 1.40 -0.28 0.00 0.31 0.00 0.00 61.69 63.16 2gjv s THR 28 Cb 0.07 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.59 2gjv s THR 28 CO 0.71 0.19 1.27 -0.62 -0.69 0.00 0.00 174.62 175.48 2gjv s ASP 29 N -1.65 6.76 0.27 3.53 -1.08 -1.26 -4.87 116.67 118.37 2gjv s ASP 29 Ca 0.45 2.62 0.23 0.00 -0.52 0.00 0.00 52.55 55.32 2gjv s ASP 29 Cb -0.17 -2.64 1.01 0.00 -1.46 0.00 0.00 42.92 39.66 2gjv s ASP 29 CO 0.21 -0.53 1.70 0.00 0.52 0.00 0.00 175.17 177.07 2gjv n ALA 30 N 0.72 1.55 0.13 3.66 0.00 -1.26 -0.70 120.51 124.61 2gjv n ALA 30 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 2gjv n ALA 30 Cb 0.43 -1.37 0.11 0.00 0.00 0.00 0.00 19.45 18.61 2gjv n ALA 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2gjv h LYS 31 N 0.00 0.00 0.00 0.00 3.64 -1.96 -3.35 116.57 114.90 2gjv h LYS 31 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gjv h LYS 31 Cb 0.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2gjv h LYS 31 CO 0.00 0.65 -1.34 1.33 -2.27 0.00 0.00 179.45 177.81 2gjv n VAL 32 N -3.53 0.00 -1.62 2.00 0.24 -0.90 -4.51 118.33 110.01 2gjv n VAL 32 Ca -0.00 -0.17 -0.48 0.00 -2.04 0.00 0.00 64.34 61.65 2gjv n VAL 32 Cb 0.70 0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 33.35 2gjv n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gjv n TYR 33 N -1.76 1.73 -3.91 6.34 9.36 0.13 -4.96 117.16 124.07 2gjv n TYR 33 Ca -0.01 0.54 -0.35 0.00 3.32 0.00 0.00 57.90 61.40 2gjv n TYR 33 Cb 0.20 -2.38 -0.14 0.00 -0.63 0.00 0.00 39.34 36.39 2gjv n TYR 33 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2gjv s ILE 34 N 0.12 2.97 0.25 2.97 1.01 -1.26 -5.00 121.20 122.27 2gjv s ILE 34 Ca 0.74 -1.35 -0.31 0.00 0.00 0.00 0.00 60.65 59.73 2gjv s ILE 34 Cb -0.79 -2.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.86 2gjv s ILE 34 CO 0.48 -0.08 1.52 -2.65 0.00 0.00 0.00 174.94 174.21 2gjv n PRO 35 N 4.63 2.36 0.15 2.79 -0.02 -1.26 -4.94 135.00 138.71 2gjv n PRO 35 Ca -0.13 0.84 0.04 0.00 -2.02 0.00 0.00 63.50 62.22 2gjv n PRO 35 Cb 0.44 -2.57 0.08 0.00 -0.02 0.00 0.00 33.50 31.42 2gjv n PRO 35 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2gjv h THR 36 N 3.26 0.78 -2.57 3.45 2.02 -1.98 -3.47 112.91 114.40 2gjv h THR 36 Ca -0.46 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 64.69 2gjv h THR 36 Cb 1.25 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 2gjv h THR 36 CO 0.79 0.43 0.00 0.61 0.37 0.00 0.00 175.52 177.73 2gjv n GLY 37 N 1.10 5.99 0.15 2.16 0.00 -1.26 -5.06 105.19 108.27 2gjv n GLY 37 Ca 0.02 -1.99 0.04 0.00 0.00 0.00 0.00 46.02 44.09 2gjv n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gjv n GLN 38 N 0.00 2.68 -1.61 1.61 6.02 -1.26 -5.01 117.38 119.81 2gjv n GLN 38 Ca 0.00 -0.42 -0.33 0.00 -0.01 0.00 0.00 57.00 56.23 2gjv n GLN 38 Cb 0.00 -1.00 0.07 0.00 1.02 0.00 0.00 30.24 30.32 2gjv n GLN 38 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2gjv s GLN 39 N -1.36 2.54 0.15 -1.09 -0.21 -1.26 -4.94 119.66 113.48 2gjv s GLN 39 Ca 0.06 1.49 -0.31 0.00 0.02 0.00 0.00 55.36 56.62 2gjv s GLN 39 Cb 0.07 -1.91 -0.10 0.00 1.00 0.00 0.00 33.01 32.07 2gjv s GLN 39 CO 0.24 -1.47 1.58 0.08 -2.12 0.00 0.00 175.29 173.60 2gjv s VAL 40 N -2.27 2.72 -0.09 1.09 1.01 -1.26 -4.75 120.40 116.85 2gjv s VAL 40 Ca 0.69 0.47 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2gjv s VAL 40 Cb -0.23 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2gjv s VAL 40 CO 0.44 0.03 -0.08 -0.89 0.00 0.00 0.00 175.10 174.59 2gjv s THR 41 N 1.41 3.56 -0.07 3.92 2.01 -1.19 0.02 115.64 125.31 2gjv s THR 41 Ca 0.71 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2gjv s THR 41 Cb -0.43 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 69.63 2gjv s THR 41 CO 0.31 0.57 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.04 2gjv s VAL 42 N -0.45 0.87 -0.16 3.82 1.01 -0.51 0.16 120.40 125.14 2gjv s VAL 42 Ca 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2gjv s VAL 42 Cb -0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2gjv s VAL 42 CO 0.02 0.31 -0.02 -0.76 0.00 0.00 0.00 175.10 174.65 2gjv s LEU 43 N 0.98 3.38 -0.15 3.92 1.43 -0.08 -0.77 118.68 127.40 2gjv s LEU 43 Ca -0.09 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2gjv s LEU 43 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2gjv s LEU 43 CO 0.00 0.18 0.00 -0.63 0.23 0.00 0.00 176.35 176.13 2gjv s ILE 44 N 0.33 4.26 -0.05 -0.59 1.01 0.58 -0.37 121.20 126.36 2gjv s ILE 44 Ca -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 2gjv s ILE 44 Cb -0.14 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.48 2gjv s ILE 44 CO 0.02 0.51 0.12 -2.28 0.00 0.00 0.00 174.94 173.31 2gjv s HIS 45 N 0.08 -0.13 -0.33 3.97 2.46 -0.04 -4.30 115.29 117.00 2gjv s HIS 45 Ca 0.02 0.33 -0.23 0.00 0.47 0.00 0.00 55.06 55.64 2gjv s HIS 45 Cb -0.13 0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.35 2gjv s HIS 45 CO 0.02 -0.07 0.78 -0.47 -2.47 0.00 0.00 174.74 172.53 2gjv s TYR 46 N 0.20 3.16 0.04 3.88 5.04 -1.26 -1.19 117.35 127.22 2gjv s TYR 46 Ca -0.01 0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 55.29 2gjv s TYR 46 Cb -0.02 -3.30 -0.27 0.00 0.35 0.00 0.00 41.96 38.72 2gjv s TYR 46 CO -0.01 -0.64 1.02 0.00 -1.34 0.00 0.00 175.55 174.58 2gjv n GLY 48 N 1.57 0.40 3.16 0.00 0.00 -1.22 -4.99 105.19 104.11 2gjv n GLY 48 Ca -0.11 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 2gjv n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gjv s SER 49 N -1.15 1.20 -0.09 1.61 0.01 -1.26 -1.07 113.70 112.95 2gjv s SER 49 Ca 0.00 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.39 2gjv s SER 49 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2gjv s SER 49 CO 0.00 -0.38 -0.21 -0.69 0.41 0.00 0.00 173.24 172.37 2gjv s VAL 50 N -3.06 1.80 -0.16 3.43 1.01 -0.90 -4.98 120.40 117.54 2gjv s VAL 50 Ca 0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 2gjv s VAL 50 Cb 0.01 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2gjv s VAL 50 CO -0.03 0.50 -0.01 -0.36 0.00 0.00 0.00 175.10 175.20 2gjv s PHE 51 N 0.45 3.08 0.51 5.22 0.40 -1.26 -1.63 117.98 124.76 2gjv s PHE 51 Ca -0.17 -0.21 -0.18 0.00 -0.60 0.00 0.00 56.93 55.77 2gjv s PHE 51 Cb -0.17 -1.99 -0.08 0.00 0.51 0.00 0.00 43.02 41.29 2gjv s PHE 51 CO 0.07 0.01 1.00 0.00 0.70 0.00 0.00 175.22 176.99 2gjv s ALA 52 N 0.38 2.98 0.51 5.36 0.00 0.88 -4.97 121.76 126.90 2gjv s ALA 52 Ca -0.02 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 2gjv s ALA 52 Cb -0.14 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 2gjv s ALA 52 CO 0.02 -0.27 1.05 -1.83 0.00 0.00 0.00 175.76 174.73 2gjv s GLU 53 N -3.80 3.67 0.26 0.00 -1.05 -1.26 -4.06 118.70 112.46 2gjv s GLU 53 Ca 0.61 1.37 -0.28 0.00 -0.15 0.00 0.00 54.97 56.52 2gjv s GLU 53 Cb -0.12 -2.07 -0.15 0.00 -0.44 0.00 0.00 34.13 31.35 2gjv s GLU 53 CO 0.27 -0.55 0.92 -2.30 0.95 0.00 0.00 175.26 174.56 2gjv n PRO 54 N -1.17 1.06 0.00 -4.83 -0.02 -1.26 -4.76 135.00 124.03 2gjv n PRO 54 Ca 0.10 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2gjv n PRO 54 Cb 0.52 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2gjv n PRO 54 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2gjv n GLU 55 N 0.85 0.54 -3.21 -0.52 4.07 -1.26 -4.74 120.64 116.38 2gjv n GLU 55 Ca 0.12 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.08 2gjv n GLU 55 Cb 0.30 -1.26 0.07 0.00 -0.06 0.00 0.00 31.44 30.48 2gjv n GLU 55 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2gjv n ASN 56 N 0.34 -6.61 -4.37 4.31 2.85 -1.26 -5.05 115.26 105.48 2gjv n ASN 56 Ca 0.00 -0.67 -0.19 0.00 -0.11 0.00 0.00 54.58 53.61 2gjv n ASN 56 Cb 0.17 -5.12 -0.10 0.00 1.24 0.00 0.00 39.78 35.96 2gjv n ASN 56 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2gjv s THR 57 N -3.37 1.52 -1.32 -0.44 -4.23 -1.26 -5.01 115.64 101.53 2gjv s THR 57 Ca 0.43 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 2gjv s THR 57 Cb -0.06 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.56 2gjv s THR 57 CO 0.72 -0.45 0.87 0.47 -0.54 0.00 0.00 174.62 175.70 2gjv n ASP 58 N -0.45 0.00 -4.62 3.99 8.00 -1.26 -4.53 116.55 117.68 2gjv n ASP 58 Ca -0.07 0.33 -0.34 0.00 0.71 0.00 0.00 54.79 55.42 2gjv n ASP 58 Cb 0.62 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 2gjv n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gjv s ALA 59 N -2.68 3.21 -0.76 2.24 0.00 -1.26 -5.05 121.76 117.45 2gjv s ALA 59 Ca 0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.94 2gjv s ALA 59 Cb 0.01 -1.53 0.08 0.00 0.00 0.00 0.00 23.12 21.67 2gjv s ALA 59 CO 0.01 0.44 1.06 0.99 0.00 0.00 0.00 175.76 178.27 2gjv s THR 60 N -0.41 4.36 -0.05 0.00 2.01 -1.26 -4.83 115.64 115.45 2gjv s THR 60 Ca 0.07 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2gjv s THR 60 Cb -0.12 -4.75 0.01 0.00 0.01 0.00 0.00 72.50 67.65 2gjv s THR 60 CO 0.02 -1.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 171.62 2gjv s VAL 61 N 3.88 1.01 -0.05 3.82 1.01 -1.26 -2.37 120.40 126.45 2gjv s VAL 61 Ca 0.27 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2gjv s VAL 61 Cb -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.34 2gjv s VAL 61 CO 0.04 0.32 -0.11 -1.10 0.00 0.00 0.00 175.10 174.25 2gjv s GLN 62 N 0.58 1.41 0.32 2.72 -0.21 -0.16 -4.00 119.66 120.30 2gjv s GLN 62 Ca -0.12 -0.36 -0.29 0.00 0.02 0.00 0.00 55.36 54.62 2gjv s GLN 62 Cb -0.14 -1.22 -0.10 0.00 1.00 0.00 0.00 33.01 32.55 2gjv s GLN 62 CO 0.03 0.05 1.29 0.15 -2.12 0.00 0.00 175.29 174.68 2gjv s LYS 63 N 0.55 4.39 -0.07 2.91 1.02 -1.26 -0.11 119.74 127.17 2gjv s LYS 63 Ca -0.11 2.16 0.03 0.00 0.02 0.00 0.00 55.97 58.07 2gjv s LYS 63 Cb -0.14 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.09 2gjv s LYS 63 CO 0.02 -0.15 -0.14 -1.14 -0.92 0.00 0.00 175.35 173.03 2gjv s GLN 64 N -1.62 1.85 -0.28 1.68 0.74 -0.41 -0.08 119.66 121.53 2gjv s GLN 64 Ca 0.49 -0.47 -0.04 0.00 0.05 0.00 0.00 55.36 55.40 2gjv s GLN 64 Cb -0.39 -1.50 0.03 0.00 1.10 0.00 0.00 33.01 32.25 2gjv s GLN 64 CO 0.50 0.05 0.01 -1.17 -0.55 0.00 0.00 175.29 174.14 2gjv s LEU 65 N 0.61 3.66 -0.05 3.68 2.96 -0.64 -1.85 118.68 127.05 2gjv s LEU 65 Ca -0.15 -0.94 -0.18 0.00 -0.22 0.00 0.00 54.13 52.64 2gjv s LEU 65 Cb -0.16 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 2gjv s LEU 65 CO 0.04 -0.20 0.51 -0.63 -1.32 0.00 0.00 176.35 174.75 2gjv s ILE 66 N 1.37 5.04 -0.11 6.68 1.09 0.32 -2.11 121.20 133.47 2gjv s ILE 66 Ca -0.01 1.04 -0.01 0.00 -1.10 0.00 0.00 60.65 60.57 2gjv s ILE 66 Cb -0.18 -3.84 -0.03 0.00 -1.06 0.00 0.00 42.46 37.36 2gjv s ILE 66 CO -0.01 0.42 -0.06 -0.13 -0.10 0.00 0.00 174.94 175.06 2gjv s ARG 67 N -0.08 3.24 -0.02 2.79 0.52 -0.23 -1.58 118.95 123.58 2gjv s ARG 67 Ca 0.27 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 2gjv s ARG 67 Cb -0.17 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.58 2gjv s ARG 67 CO 0.14 0.43 -0.01 0.42 0.02 0.00 0.00 175.30 176.30 2gjv s ILE 68 N -0.17 0.18 0.08 1.52 1.01 -0.20 -1.09 121.20 122.53 2gjv s ILE 68 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2gjv s ILE 68 Cb -0.13 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2gjv s ILE 68 CO 0.03 0.11 -0.09 -0.94 0.00 0.00 0.00 174.94 174.05 2gjv s SER 69 N 0.61 4.45 -0.14 3.58 1.04 -0.33 0.18 113.70 123.10 2gjv s SER 69 Ca -0.06 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 2gjv s SER 69 Cb -0.09 -0.90 0.03 0.00 0.10 0.00 0.00 66.02 65.16 2gjv s SER 69 CO -0.01 0.20 -0.06 0.00 0.98 0.00 0.00 173.24 174.35 2gjv s ALA 70 N -1.17 1.38 -0.18 5.32 0.00 -0.05 -0.86 121.76 126.21 2gjv s ALA 70 Ca 0.21 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2gjv s ALA 70 Cb -0.11 -1.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 2gjv s ALA 70 CO 0.12 -0.58 -0.13 0.99 0.00 0.00 0.00 175.76 176.17 2gjv s THR 71 N 1.69 2.80 0.14 0.00 2.01 0.50 -0.49 115.64 122.29 2gjv s THR 71 Ca 0.03 -0.71 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 2gjv s THR 71 Cb -0.14 -2.21 -0.07 0.00 0.01 0.00 0.00 72.50 70.09 2gjv s THR 71 CO -0.08 0.49 0.81 0.68 -0.69 0.00 0.00 174.62 175.83 2gjv s VAL 72 N 1.06 4.43 -0.26 3.82 -7.23 -0.06 -0.90 120.40 121.27 2gjv s VAL 72 Ca -0.00 1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 61.93 2gjv s VAL 72 Cb -0.15 -4.17 0.08 0.00 0.56 0.00 0.00 36.38 32.70 2gjv s VAL 72 CO -0.03 0.46 0.04 -0.63 -0.31 0.00 0.00 175.10 174.63 2gjv s ILE 73 N -0.79 1.06 0.00 -0.62 1.01 0.12 -2.34 121.20 119.65 2gjv s ILE 73 Ca 0.38 -1.19 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 2gjv s ILE 73 Cb -0.23 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2gjv s ILE 73 CO 0.26 -0.39 0.02 0.54 0.00 0.00 0.00 174.94 175.38 2gjv s VAL 74 N 1.57 0.06 0.11 2.92 0.11 -0.70 -3.15 120.40 121.32 2gjv s VAL 74 Ca 0.03 -0.46 -0.26 0.00 -2.93 0.00 0.00 61.98 58.35 2gjv s VAL 74 Cb -0.18 -0.19 -0.08 0.00 -1.53 0.00 0.00 36.38 34.41 2gjv s VAL 74 CO -0.14 -0.25 1.64 -0.65 -3.33 0.00 0.00 175.10 172.37 2gjv h PRO 75 N 5.28 -0.41 -6.14 1.54 0.11 -1.86 0.40 132.00 130.93 2gjv h PRO 75 Ca -0.28 0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.27 2gjv h PRO 75 Cb 1.21 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 2gjv h PRO 75 CO 0.44 -0.27 -0.08 -0.65 -0.21 0.00 0.00 178.00 177.23 2gjv s GLN 76 N -6.07 4.15 0.27 1.05 -0.21 -1.26 -3.93 119.66 113.66 2gjv s GLN 76 Ca -0.15 0.64 -0.01 0.00 0.02 0.00 0.00 55.36 55.86 2gjv s GLN 76 Cb 0.08 -3.26 0.50 0.00 1.00 0.00 0.00 33.01 31.34 2gjv s GLN 76 CO 0.65 0.60 1.82 0.97 -2.12 0.00 0.00 175.29 177.21 2gjv h ILE 77 N 3.71 0.89 -0.12 1.08 6.09 -1.95 -1.79 117.51 125.42 2gjv h ILE 77 Ca -0.49 -0.30 -0.13 0.00 -1.37 0.00 0.00 64.86 62.56 2gjv h ILE 77 Cb 1.21 -0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 2gjv h ILE 77 CO 0.64 0.16 -0.49 0.77 -3.07 0.00 0.00 178.15 176.17 2gjv h SER 78 N 0.89 0.35 0.16 2.19 4.64 -1.97 -1.92 113.55 117.88 2gjv h SER 78 Ca 0.46 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.51 2gjv h SER 78 Cb 0.47 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2gjv h SER 78 CO -0.27 0.78 -0.38 0.44 -0.87 0.00 0.00 176.83 176.53 2gjv h ASP 79 N 0.26 0.32 -0.15 4.97 3.32 -1.79 -2.14 116.42 121.20 2gjv h ASP 79 Ca 0.01 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2gjv h ASP 79 Cb 0.96 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2gjv h ASP 79 CO 0.08 0.68 0.04 0.00 -1.72 0.00 0.00 179.24 178.32 2gjv h ALA 80 N 1.34 0.20 -0.14 3.45 0.00 -0.92 -0.81 119.26 122.37 2gjv h ALA 80 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2gjv h ALA 80 Cb 0.80 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2gjv h ALA 80 CO 0.06 -0.17 0.04 0.82 0.00 0.00 0.00 179.25 180.01 2gjv h ILE 81 N 0.05 0.96 -0.62 0.00 2.04 -1.29 -0.21 117.51 118.44 2gjv h ILE 81 Ca 0.05 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.88 2gjv h ILE 81 Cb 0.26 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2gjv h ILE 81 CO 0.00 0.02 0.41 0.78 0.00 0.00 0.00 178.15 179.36 2gjv h ASN 82 N 0.11 0.69 -0.10 1.72 2.35 -1.31 -2.18 115.58 116.86 2gjv h ASN 82 Ca 0.06 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2gjv h ASN 82 Cb 0.04 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 2gjv h ASN 82 CO -0.07 0.49 0.01 0.00 -1.65 0.00 0.00 177.43 176.22 2gjv h ALA 83 N 1.62 0.13 -0.75 -0.83 0.00 -0.60 -2.73 119.26 116.10 2gjv h ALA 83 Ca 0.23 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.14 2gjv h ALA 83 Cb -0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.59 2gjv h ALA 83 CO -0.05 -0.21 0.23 -0.07 0.00 0.00 0.00 179.25 179.14 2gjv h LEU 84 N -0.08 0.11 -0.88 0.00 3.38 -0.48 -1.12 115.31 116.24 2gjv h LEU 84 Ca 0.03 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2gjv h LEU 84 Cb 0.30 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2gjv h LEU 84 CO 0.00 0.00 0.53 0.44 0.09 0.00 0.00 178.44 179.51 2gjv h ASP 85 N 0.32 0.81 -0.52 -0.43 3.32 -1.22 -1.86 116.42 116.85 2gjv h ASP 85 Ca 0.42 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 2gjv h ASP 85 Cb 0.71 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 2gjv h ASP 85 CO -0.48 0.49 0.21 0.03 -1.72 0.00 0.00 179.24 177.77 2gjv h ARG 86 N 0.93 0.82 -0.19 3.56 2.47 -0.91 -2.37 114.38 118.68 2gjv h ARG 86 Ca 0.40 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.93 2gjv h ARG 86 Cb 0.28 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2gjv h ARG 86 CO -0.21 0.68 -0.12 -0.07 0.56 0.00 0.00 179.97 180.81 2gjv h LEU 87 N 0.81 0.44 -0.16 3.04 3.38 -0.92 -1.28 115.31 120.62 2gjv h LEU 87 Ca 0.19 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.77 2gjv h LEU 87 Cb 0.18 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2gjv h LEU 87 CO -0.02 0.78 -0.10 -0.09 0.09 0.00 0.00 178.44 179.11 2gjv h ARG 88 N 0.10 -0.09 -0.43 1.13 2.43 -1.33 0.25 114.38 116.45 2gjv h ARG 88 Ca 0.04 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2gjv h ARG 88 Cb 0.63 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2gjv h ARG 88 CO 0.03 -0.06 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.33 2gjv h ARG 89 N -0.09 0.70 -0.02 0.20 9.65 -1.45 -0.37 114.38 123.01 2gjv h ARG 89 Ca 0.09 -0.18 -0.13 0.00 -1.10 0.00 0.00 59.98 58.66 2gjv h ARG 89 Cb 0.23 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2gjv h ARG 89 CO -0.21 0.73 -0.49 0.77 2.80 0.00 0.00 179.97 183.56 2gjv h SER 90 N 0.66 0.47 0.15 -3.80 0.02 -0.74 -3.40 113.55 106.90 2gjv h SER 90 Ca 0.13 -0.74 -0.36 0.00 -0.84 0.00 0.00 61.79 59.98 2gjv h SER 90 Cb 0.43 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2gjv h SER 90 CO 0.02 1.14 -2.06 0.18 -1.14 0.00 0.00 176.83 174.97 2gjv n LEU 91 N -4.30 2.39 -4.69 5.07 4.77 0.84 -4.88 117.00 116.22 2gjv n LEU 91 Ca -0.10 0.17 -0.58 0.00 -0.03 0.00 0.00 56.01 55.47 2gjv n LEU 91 Cb 0.61 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2gjv n LEU 91 CO 0.45 0.80 1.18 0.61 -1.33 0.00 0.00 177.39 179.10 2gjv n GLY 92 N 1.98 0.62 2.06 -0.72 0.00 -0.15 -2.33 105.19 106.65 2gjv n GLY 92 Ca -0.33 0.90 -0.01 0.00 0.00 0.00 0.00 46.02 46.58 2gjv n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gjv n GLY 93 N 3.73 0.48 3.85 -0.02 0.00 -0.45 -4.99 105.19 107.79 2gjv n GLY 93 Ca 0.25 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2gjv n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gjv s ILE 94 N -1.98 4.58 0.21 -0.61 -4.36 -0.98 -4.45 121.20 113.62 2gjv s ILE 94 Ca 0.00 1.10 -0.30 0.00 -0.26 0.00 0.00 60.65 61.19 2gjv s ILE 94 Cb 0.00 -3.70 -0.08 0.00 1.25 0.00 0.00 42.46 39.93 2gjv s ILE 94 CO 0.00 -0.57 1.00 -1.61 0.24 0.00 0.00 174.94 174.01 2gjv s GLU 95 N -3.83 4.74 -0.00 0.37 0.41 -1.26 0.26 118.70 119.38 2gjv s GLU 95 Ca 0.57 1.58 0.07 0.00 -0.41 0.00 0.00 54.97 56.79 2gjv s GLU 95 Cb -0.10 -3.28 -0.03 0.00 -1.78 0.00 0.00 34.13 28.95 2gjv s GLU 95 CO 0.28 0.32 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.65 2gjv s LEU 96 N -0.87 2.36 0.15 1.80 1.43 -1.26 -4.91 118.68 117.38 2gjv s LEU 96 Ca 0.44 -0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 52.82 2gjv s LEU 96 Cb -0.27 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 2gjv s LEU 96 CO 0.34 0.30 1.47 -2.16 0.23 0.00 0.00 176.35 176.53 2gjv s PRO 97 N -0.92 4.27 -1.32 1.29 0.04 -1.26 -2.91 135.00 134.19 2gjv s PRO 97 Ca 0.12 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2gjv s PRO 97 Cb -0.10 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2gjv s PRO 97 CO 0.01 -0.50 0.00 -0.25 0.04 0.00 0.00 177.00 176.30 2gjv n ASP 98 N 3.78 -4.47 -4.59 6.66 8.00 -1.26 -4.78 116.55 119.89 2gjv n ASP 98 Ca 0.12 0.14 -0.30 0.00 0.71 0.00 0.00 54.79 55.46 2gjv n ASP 98 Cb 0.40 -3.45 -0.10 0.00 -0.02 0.00 0.00 41.12 37.96 2gjv n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gjv n ASP 100 N 0.98 0.66 -3.73 0.00 8.00 0.10 -4.88 116.55 117.67 2gjv n ASP 100 Ca -0.14 0.66 -0.08 0.00 0.71 0.00 0.00 54.79 55.95 2gjv n ASP 100 Cb 0.52 -0.80 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2gjv n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gjv s ARG 101 N -3.31 1.82 1.06 -1.24 1.70 -1.26 -5.07 118.95 112.66 2gjv s ARG 101 Ca 0.04 -1.10 -0.12 0.00 -0.47 0.00 0.00 55.73 54.08 2gjv s ARG 101 Cb 0.09 0.59 0.22 0.00 -0.57 0.00 0.00 34.95 35.29 2gjv s ARG 101 CO 0.39 -0.83 1.07 -2.14 -1.08 0.00 0.00 175.30 172.71 2gjv s PRO 102 N -3.69 -0.09 0.25 3.89 0.02 -1.26 -4.46 135.00 129.67 2gjv s PRO 102 Ca 0.13 0.91 -0.30 0.00 0.02 0.00 0.00 61.00 61.77 2gjv s PRO 102 Cb -0.05 -1.65 -0.09 0.00 0.02 0.00 0.00 34.50 32.73 2gjv s PRO 102 CO 0.08 -3.19 1.29 -1.17 -0.33 0.00 0.00 177.00 173.68 2gjv s LEU 103 N -6.86 4.44 0.03 -5.54 0.20 0.14 -4.80 118.68 106.29 2gjv s LEU 103 Ca 0.67 2.49 0.07 0.00 0.69 0.00 0.00 54.13 58.05 2gjv s LEU 103 Cb -0.23 -3.63 -0.03 0.00 -0.43 0.00 0.00 46.19 41.88 2gjv s LEU 103 CO 0.61 -0.49 -0.19 0.26 -0.29 0.00 0.00 176.35 176.25 2gjv s TRP 104 N -0.46 2.52 0.40 5.38 0.51 -0.74 -1.33 118.94 125.21 2gjv s TRP 104 Ca 0.53 -0.28 -0.23 0.00 -2.12 0.00 0.00 56.10 54.00 2gjv s TRP 104 Cb -0.37 -1.47 -0.10 0.00 -0.81 0.00 0.00 33.47 30.72 2gjv s TRP 104 CO 0.44 0.22 0.97 -0.51 -0.51 0.00 0.00 176.95 177.55 2gjv s LEU 105 N -1.32 4.08 0.04 2.99 1.43 -1.26 -1.03 118.68 123.61 2gjv s LEU 105 Ca 0.14 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2gjv s LEU 105 Cb -0.10 -4.33 -0.01 0.00 0.03 0.00 0.00 46.19 41.78 2gjv s LEU 105 CO 0.04 -0.34 -0.03 1.21 0.23 0.00 0.00 176.35 177.46 2gjv n GLU 106 N -0.23 0.05 -3.88 1.70 2.13 0.03 -4.78 120.64 115.67 2gjv n GLU 106 Ca 0.05 0.02 -0.07 0.00 0.66 0.00 0.00 57.16 57.82 2gjv n GLU 106 Cb 0.52 -0.59 -0.03 0.00 0.27 0.00 0.00 31.44 31.61 2gjv n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2gjv s SER 107 N -5.72 -0.24 -0.04 4.31 1.04 -0.89 -5.00 113.70 107.15 2gjv s SER 107 Ca -0.03 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.77 2gjv s SER 107 Cb 0.01 0.70 0.01 0.00 0.10 0.00 0.00 66.02 66.84 2gjv s SER 107 CO 0.04 -1.31 -0.12 -1.61 0.98 0.00 0.00 173.24 171.23 2gjv s GLU 108 N -3.93 1.39 -0.02 4.02 2.02 -1.26 -0.36 118.70 120.55 2gjv s GLU 108 Ca 0.13 -0.40 -0.05 0.00 0.02 0.00 0.00 54.97 54.67 2gjv s GLU 108 Cb -0.05 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.97 2gjv s GLU 108 CO 0.07 0.11 0.10 -1.59 0.02 0.00 0.00 175.26 173.97 2gjv s LYS 109 N 0.34 0.26 -0.21 1.61 -2.85 -0.50 -4.99 119.74 113.40 2gjv s LYS 109 Ca -0.07 -0.11 -0.29 0.00 -1.00 0.00 0.00 55.97 54.50 2gjv s LYS 109 Cb -0.12 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.76 2gjv s LYS 109 CO 0.02 -0.05 1.26 -0.47 0.10 0.00 0.00 175.35 176.21 2gjv s TYR 110 N -0.58 2.83 -0.14 1.78 5.04 -1.26 -0.75 117.35 124.27 2gjv s TYR 110 Ca -0.07 0.99 -0.22 0.00 -2.44 0.00 0.00 57.07 55.34 2gjv s TYR 110 Cb -0.04 -3.62 -0.25 0.00 0.35 0.00 0.00 41.96 38.40 2gjv s TYR 110 CO 0.00 -1.62 0.54 0.82 -1.34 0.00 0.00 175.55 173.96 2gjv h ILE 111 N 5.65 1.27 0.00 3.14 1.08 -1.46 -3.48 117.51 123.71 2gjv h ILE 111 Ca -0.26 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 61.89 2gjv h ILE 111 Cb 1.10 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.66 2gjv h ILE 111 CO 0.99 0.55 0.00 0.61 -0.69 0.00 0.00 178.15 179.62 2gjv n GLY 112 N 1.60 -1.01 2.17 5.37 0.00 -1.07 -5.00 105.19 107.26 2gjv n GLY 112 Ca -0.22 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.61 2gjv n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gjv n ASP 113 N 1.86 1.46 -4.76 1.61 5.75 -1.26 0.17 116.55 121.38 2gjv n ASP 113 Ca 0.00 -2.13 -0.38 0.00 -0.01 0.00 0.00 54.79 52.27 2gjv n ASP 113 Cb 0.00 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 39.71 2gjv n ASP 113 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gjv s ALA 114 N -2.18 2.84 -1.52 2.12 0.00 -1.22 -3.53 121.76 118.28 2gjv s ALA 114 Ca 0.31 1.13 -0.14 0.00 0.00 0.00 0.00 51.96 53.26 2gjv s ALA 114 Cb 0.35 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 20.11 2gjv s ALA 114 CO -0.09 -1.06 0.76 0.00 0.00 0.00 0.00 175.76 175.37 2gjv n ALA 115 N -0.88 -1.20 -2.82 0.00 0.00 -1.26 -1.93 120.51 112.42 2gjv n ALA 115 Ca 0.10 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.43 2gjv n ALA 115 Cb 0.47 -3.61 0.02 0.00 0.00 0.00 0.00 19.45 16.33 2gjv n ALA 115 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gjv n ASN 116 N -2.59 -5.55 -3.84 0.00 3.02 -1.23 -5.01 115.26 100.05 2gjv n ASN 116 Ca 0.04 -0.21 -0.21 0.00 -0.03 0.00 0.00 54.58 54.17 2gjv n ASN 116 Cb 0.52 -4.42 -0.17 0.00 -0.61 0.00 0.00 39.78 35.09 2gjv n ASN 116 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2gjv s PHE 117 N -3.07 0.72 0.06 3.10 0.40 -0.81 -4.49 117.98 113.89 2gjv s PHE 117 Ca 0.22 -0.20 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 2gjv s PHE 117 Cb -0.10 -0.72 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 2gjv s PHE 117 CO 0.27 -0.25 0.99 0.00 0.70 0.00 0.00 175.22 176.94 2gjv s ARG 119 N 0.49 2.29 -0.03 0.00 0.52 0.13 -1.72 118.95 120.62 2gjv s ARG 119 Ca 0.50 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 2gjv s ARG 119 Cb -0.23 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.39 2gjv s ARG 119 CO 0.29 0.03 -0.10 0.71 0.02 0.00 0.00 175.30 176.25 2gjv s TYR 120 N 0.71 1.13 -0.01 -0.53 1.51 -0.99 -1.08 117.35 118.08 2gjv s TYR 120 Ca -0.12 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2gjv s TYR 120 Cb -0.16 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 2gjv s TYR 120 CO 0.03 -0.14 -0.10 0.00 -1.11 0.00 0.00 175.55 174.24 2gjv s ALA 121 N 0.26 2.89 -0.23 3.71 0.00 0.07 -0.88 121.76 127.58 2gjv s ALA 121 Ca -0.05 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 2gjv s ALA 121 Cb -0.10 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 2gjv s ALA 121 CO 0.01 0.59 0.01 -1.17 0.00 0.00 0.00 175.76 175.20 2gjv s LEU 122 N -1.18 3.15 -0.16 0.00 2.96 0.35 -1.41 118.68 122.38 2gjv s LEU 122 Ca 0.15 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.66 2gjv s LEU 122 Cb -0.11 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 2gjv s LEU 122 CO 0.05 -0.03 0.16 -1.81 -1.32 0.00 0.00 176.35 173.40 2gjv s ASP 123 N 1.54 6.31 0.12 3.68 1.01 0.51 -0.87 116.67 128.97 2gjv s ASP 123 Ca 0.06 0.36 0.04 0.00 0.71 0.00 0.00 52.55 53.71 2gjv s ASP 123 Cb -0.15 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 2gjv s ASP 123 CO -0.00 0.25 -0.10 -0.04 0.21 0.00 0.00 175.17 175.49 2gjv s MET 124 N -0.12 0.95 0.10 8.23 -1.94 0.13 -0.79 119.30 125.86 2gjv s MET 124 Ca 0.12 -1.32 0.07 0.00 -1.71 0.00 0.00 55.69 52.85 2gjv s MET 124 Cb -0.12 -0.55 -0.03 0.00 2.01 0.00 0.00 34.83 36.14 2gjv s MET 124 CO 0.01 0.07 -0.18 0.95 -0.01 0.00 0.00 175.02 175.86 2gjv s THR 125 N -2.98 1.52 0.11 2.05 -4.23 -0.20 -1.03 115.64 110.88 2gjv s THR 125 Ca 0.12 -1.51 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 2gjv s THR 125 Cb 0.01 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 2gjv s THR 125 CO -0.00 -0.15 -0.10 0.00 -0.54 0.00 0.00 174.62 173.83 2gjv s ALA 126 N -1.31 1.20 0.00 3.99 0.00 -0.62 -1.80 121.76 123.23 2gjv s ALA 126 Ca 0.05 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.77 2gjv s ALA 126 Cb -0.09 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2gjv s ALA 126 CO 0.04 -0.05 -0.09 0.45 0.00 0.00 0.00 175.76 176.11 2gjv s SER 127 N -2.63 1.03 0.27 0.00 0.15 -1.26 -0.52 113.70 110.74 2gjv s SER 127 Ca 0.08 -0.22 -0.12 0.00 0.70 0.00 0.00 55.95 56.39 2gjv s SER 127 Cb -0.01 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2gjv s SER 127 CO 0.00 0.06 0.51 0.28 1.20 0.00 0.00 173.24 175.29 2gjv s THR 128 N -0.38 0.00 -0.27 6.45 -1.32 -0.77 0.02 115.64 119.37 2gjv s THR 128 Ca 0.02 -1.39 -0.05 0.00 -1.21 0.00 0.00 61.69 59.05 2gjv s THR 128 Cb -0.04 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.65 2gjv s THR 128 CO -0.00 0.00 0.03 -0.76 -2.21 0.00 0.00 174.62 171.68 2gjv s LEU 129 N -3.05 3.52 -0.03 9.08 1.43 -1.26 -1.29 118.68 127.08 2gjv s LEU 129 Ca 0.23 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 2gjv s LEU 129 Cb -0.01 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2gjv s LEU 129 CO 0.11 -0.13 1.10 0.12 0.23 0.00 0.00 176.35 177.77 2gjv s PHE 130 N 1.48 3.43 -0.23 0.29 5.36 0.85 -4.84 117.98 124.32 2gjv s PHE 130 Ca 0.03 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 2gjv s PHE 130 Cb -0.16 -3.29 0.03 0.00 -0.34 0.00 0.00 43.02 39.26 2gjv s PHE 130 CO 0.00 -0.73 -0.12 0.42 -1.46 0.00 0.00 175.22 173.34 2gjv s ILE 131 N 1.65 2.44 0.53 3.12 1.01 -1.26 -0.99 121.20 127.69 2gjv s ILE 131 Ca 0.54 -1.14 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 2gjv s ILE 131 Cb -0.23 -2.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.95 2gjv s ILE 131 CO 0.24 0.26 1.07 0.00 0.00 0.00 0.00 174.94 176.51 2gjv s ALA 132 N 1.26 2.78 0.75 9.38 0.00 -1.00 -5.05 121.76 129.88 2gjv s ALA 132 Ca -0.00 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 2gjv s ALA 132 Cb -0.16 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2gjv s ALA 132 CO -0.07 -0.58 1.08 -1.21 0.00 0.00 0.00 175.76 174.98 2gjv s GLU 133 N -3.41 2.50 0.00 0.00 0.41 -1.26 -4.92 118.70 112.02 2gjv s GLU 133 Ca 0.68 0.83 0.27 0.00 -0.41 0.00 0.00 54.97 56.35 2gjv s GLU 133 Cb -0.19 -1.95 0.87 0.00 -1.78 0.00 0.00 34.13 31.09 2gjv s GLU 133 CO 0.26 -1.38 1.65 0.94 -0.49 0.00 0.00 175.26 176.24