#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 3.02 0.17 5.41 0.00 -1.26 -4.88 121.76 124.23 2gjv s ALA 0 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 2gjv s ALA 0 Cb 0.00 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 2gjv s ALA 0 CO 0.00 -0.15 1.28 1.41 0.00 0.00 0.00 175.76 178.30 2gjv s MET 1 N -2.80 4.41 -0.35 0.00 1.75 -1.26 -4.98 119.30 116.07 2gjv s MET 1 Ca 0.61 1.98 -0.10 0.00 -1.25 0.00 0.00 55.69 56.93 2gjv s MET 1 Cb -0.18 -3.23 0.02 0.00 2.84 0.00 0.00 34.83 34.29 2gjv s MET 1 CO 0.22 -0.23 0.17 -1.21 -0.65 0.00 0.00 175.02 173.33 2gjv s GLU 2 N 0.09 2.91 0.22 4.11 2.02 -1.26 -5.00 118.70 121.79 2gjv s GLU 2 Ca 0.57 -1.01 -0.07 0.00 0.02 0.00 0.00 54.97 54.47 2gjv s GLU 2 Cb -0.35 -3.64 0.34 0.00 0.10 0.00 0.00 34.13 30.58 2gjv s GLU 2 CO 0.36 -0.63 1.75 1.15 0.02 0.00 0.00 175.26 177.91 2gjv h THR 3 N 5.88 0.76 -0.61 3.63 2.02 -1.98 -1.74 112.91 120.87 2gjv h THR 3 Ca -0.27 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 2gjv h THR 3 Cb 1.11 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2gjv h THR 3 CO 0.64 0.09 0.25 0.25 0.37 0.00 0.00 175.52 177.12 2gjv h LEU 4 N 0.47 0.81 -0.98 2.58 5.85 -2.00 -1.81 115.31 120.24 2gjv h LEU 4 Ca 0.35 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2gjv h LEU 4 Cb 0.44 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2gjv h LEU 4 CO -0.32 0.73 0.54 0.28 -0.34 0.00 0.00 178.44 179.32 2gjv h SER 5 N 0.88 1.10 -0.56 1.25 0.02 -1.76 -1.16 113.55 113.32 2gjv h SER 5 Ca 0.21 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 2gjv h SER 5 Cb 0.17 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2gjv h SER 5 CO -0.02 0.86 0.11 0.58 -1.14 0.00 0.00 176.83 177.21 2gjv h VAL 6 N 1.26 1.25 -0.01 2.27 2.07 -0.92 -1.37 116.25 120.80 2gjv h VAL 6 Ca 0.32 -0.94 -0.15 0.00 0.82 0.00 0.00 66.70 66.76 2gjv h VAL 6 Cb -0.03 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2gjv h VAL 6 CO -0.06 0.34 -0.67 0.16 0.02 0.00 0.00 177.57 177.36 2gjv h ILE 7 N 0.81 1.47 -0.52 4.57 3.07 -1.24 -2.49 117.51 123.19 2gjv h ILE 7 Ca 0.17 -2.27 -0.07 0.00 1.55 0.00 0.00 64.86 64.24 2gjv h ILE 7 Cb 0.39 2.22 -0.02 0.00 -0.27 0.00 0.00 36.82 39.13 2gjv h ILE 7 CO 0.01 0.65 0.04 0.45 -1.05 0.00 0.00 178.15 178.25 2gjv h HIS 8 N 0.03 0.89 0.01 0.16 3.86 -1.04 -0.17 115.15 118.89 2gjv h HIS 8 Ca -0.01 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2gjv h HIS 8 Cb 1.20 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2gjv h HIS 8 CO 0.01 0.80 -0.01 1.15 0.86 0.00 0.00 177.93 180.74 2gjv h THR 9 N 0.79 1.09 -0.37 2.45 2.02 -0.99 0.21 112.91 118.11 2gjv h THR 9 Ca 0.16 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 67.08 2gjv h THR 9 Cb 0.42 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 2gjv h THR 9 CO 0.01 0.08 0.14 0.58 0.37 0.00 0.00 175.52 176.70 2gjv h VAL 10 N -0.14 0.90 -0.49 3.16 2.07 -1.31 -0.87 116.25 119.57 2gjv h VAL 10 Ca -0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2gjv h VAL 10 Cb 0.14 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2gjv h VAL 10 CO 0.00 0.05 0.14 0.00 0.02 0.00 0.00 177.57 177.78 2gjv h ALA 11 N 1.23 0.64 -0.53 1.67 0.00 -0.88 -2.26 119.26 119.13 2gjv h ALA 11 Ca 0.17 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2gjv h ALA 11 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gjv h ALA 11 CO -0.16 0.31 0.01 -0.97 0.00 0.00 0.00 179.25 178.43 2gjv h ASN 12 N 0.66 0.91 -0.32 0.00 -1.24 -0.41 -2.04 115.58 113.13 2gjv h ASN 12 Ca 0.15 -0.30 0.01 0.00 0.71 0.00 0.00 56.30 56.87 2gjv h ASN 12 Cb 0.30 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 2gjv h ASN 12 CO -0.00 0.99 0.21 -0.09 -1.29 0.00 0.00 177.43 177.24 2gjv h ARG 13 N 0.80 0.41 -0.74 6.67 9.65 -1.11 -1.78 114.38 128.28 2gjv h ARG 13 Ca 0.15 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 2gjv h ARG 13 Cb 0.52 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.97 2gjv h ARG 13 CO 0.03 0.27 0.48 -0.07 2.80 0.00 0.00 179.97 183.48 2gjv h LEU 14 N 0.42 0.82 0.08 3.80 3.38 -1.29 -2.71 115.31 119.81 2gjv h LEU 14 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2gjv h LEU 14 Cb -0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2gjv h LEU 14 CO -0.03 0.58 -0.04 0.03 0.09 0.00 0.00 178.44 179.07 2gjv h ARG 15 N 0.97 -0.11 -0.60 1.13 3.08 -1.04 0.60 114.38 118.41 2gjv h ARG 15 Ca 0.28 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 2gjv h ARG 15 Cb -0.06 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2gjv h ARG 15 CO -0.08 0.07 0.36 0.93 -1.07 0.00 0.00 179.97 180.18 2gjv h GLU 16 N -0.27 0.80 0.00 0.04 5.08 -1.35 -2.55 114.58 116.32 2gjv h GLU 16 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2gjv h GLU 16 Cb 0.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2gjv h GLU 16 CO 0.02 0.56 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.87 2gjv h LEU 17 N 0.82 0.00 -6.14 1.33 3.38 -1.40 -3.41 115.31 109.89 2gjv h LEU 17 Ca 0.21 -0.20 -0.57 0.00 0.09 0.00 0.00 57.88 57.41 2gjv h LEU 17 Cb -0.04 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.33 2gjv h LEU 17 CO -0.04 0.10 -1.05 0.59 0.09 0.00 0.00 178.44 178.13 2gjv n ASN 18 N -2.16 0.05 0.28 -0.43 3.02 0.19 -5.00 115.26 111.21 2gjv n ASN 18 Ca 0.03 -2.60 0.15 0.00 -0.03 0.00 0.00 54.58 52.13 2gjv n ASN 18 Cb 0.45 -0.61 0.84 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 4.57 0.00 -0.24 3.52 0.13 -1.76 -2.44 132.00 135.78 2gjv h PRO 19 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2gjv h PRO 19 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2gjv h PRO 19 CO 0.44 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 2gjv n ASP 20 N -3.50 2.05 -4.86 1.44 8.00 -1.26 -4.86 116.55 113.55 2gjv n ASP 20 Ca -0.02 -1.80 -0.33 0.00 0.71 0.00 0.00 54.79 53.34 2gjv n ASP 20 Cb 0.19 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.69 3.90 -0.54 -1.24 -1.94 -0.92 -4.04 119.30 112.83 2gjv s MET 21 Ca 0.32 0.41 -0.10 0.00 -1.71 0.00 0.00 55.69 54.61 2gjv s MET 21 Cb 0.18 -2.75 0.14 0.00 2.01 0.00 0.00 34.83 34.41 2gjv s MET 21 CO 0.26 0.37 0.43 0.34 -0.01 0.00 0.00 175.02 176.41 2gjv s ASP 22 N -2.08 5.87 -0.29 3.03 2.15 0.12 -4.98 116.67 120.49 2gjv s ASP 22 Ca 0.44 -2.09 -0.16 0.00 0.43 0.00 0.00 52.55 51.17 2gjv s ASP 22 Cb -0.13 -2.05 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 2gjv s ASP 22 CO 0.20 -0.67 0.44 -0.63 -0.17 0.00 0.00 175.17 174.34 2gjv s ILE 23 N 1.11 5.11 0.13 4.11 -1.09 -1.26 -1.62 121.20 127.69 2gjv s ILE 23 Ca 0.08 0.59 0.10 0.00 -2.23 0.00 0.00 60.65 59.19 2gjv s ILE 23 Cb -0.24 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2gjv s ILE 23 CO -0.01 0.05 -0.25 -1.00 -1.23 0.00 0.00 174.94 172.49 2gjv s HIS 24 N 2.20 2.20 -0.42 3.97 3.76 0.04 -4.99 115.29 122.05 2gjv s HIS 24 Ca 0.17 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 2gjv s HIS 24 Cb -0.16 -1.18 0.11 0.00 1.11 0.00 0.00 32.58 32.47 2gjv s HIS 24 CO 0.10 0.33 0.23 0.42 -0.85 0.00 0.00 174.74 174.97 2gjv s ILE 25 N -1.17 3.44 0.35 0.60 1.01 -1.26 -0.11 121.20 124.05 2gjv s ILE 25 Ca 0.13 -2.01 0.08 0.00 0.00 0.00 0.00 60.65 58.86 2gjv s ILE 25 Cb -0.10 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2gjv s ILE 25 CO 0.06 -0.70 0.14 -0.44 0.00 0.00 0.00 174.94 174.00 2gjv s SER 26 N 1.96 4.62 -0.01 3.58 0.01 -1.25 -5.00 113.70 117.61 2gjv s SER 26 Ca 0.08 -0.82 0.15 0.00 1.31 0.00 0.00 55.95 56.67 2gjv s SER 26 Cb -0.23 -0.68 -0.19 0.00 0.21 0.00 0.00 66.02 65.12 2gjv s SER 26 CO -0.04 -0.33 0.68 -1.54 0.41 0.00 0.00 173.24 172.42 2gjv n SER 27 N -1.15 0.77 -4.76 2.44 3.41 -1.26 -4.90 113.62 108.16 2gjv n SER 27 Ca -0.03 0.35 -0.39 0.00 -0.26 0.00 0.00 58.87 58.54 2gjv n SER 27 Cb 0.62 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.70 2gjv n SER 27 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2gjv s THR 28 N -2.75 3.61 0.11 6.66 2.01 -1.26 -5.00 115.64 119.02 2gjv s THR 28 Ca -0.04 1.54 -0.31 0.00 0.31 0.00 0.00 61.69 63.19 2gjv s THR 28 Cb 0.08 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 2gjv s THR 28 CO 0.82 0.31 1.35 -0.62 -0.69 0.00 0.00 174.62 175.78 2gjv s ASP 29 N -1.06 6.88 0.35 3.53 2.15 -1.26 -4.87 116.67 122.38 2gjv s ASP 29 Ca 0.47 2.27 0.20 0.00 0.43 0.00 0.00 52.55 55.92 2gjv s ASP 29 Cb -0.29 -2.59 1.11 0.00 -0.30 0.00 0.00 42.92 40.86 2gjv s ASP 29 CO 0.37 -0.61 1.60 0.00 -0.17 0.00 0.00 175.17 176.36 2gjv h ALA 30 N 6.68 1.06 0.00 3.66 0.00 -1.94 0.21 119.26 128.93 2gjv h ALA 30 Ca -0.42 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2gjv h ALA 30 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2gjv h ALA 30 CO 0.85 -0.06 -0.55 -0.22 0.00 0.00 0.00 179.25 179.27 2gjv h LYS 31 N 0.00 0.00 0.00 0.00 3.64 -1.96 -3.35 116.57 114.91 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 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2gjv h LYS 31 CO 0.00 0.55 -0.43 1.33 -2.27 0.00 0.00 179.45 178.63 2gjv n VAL 32 N -3.56 0.00 -1.65 2.00 0.24 -0.07 -4.57 118.33 110.72 2gjv n VAL 32 Ca -0.00 -0.31 -0.47 0.00 -2.04 0.00 0.00 64.34 61.52 2gjv n VAL 32 Cb 0.62 0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 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 -1.22 2.03 -3.85 6.34 9.36 -0.44 -4.98 117.16 124.40 2gjv n TYR 33 Ca 0.00 0.41 -0.36 0.00 3.32 0.00 0.00 57.90 61.27 2gjv n TYR 33 Cb 0.03 -2.46 -0.13 0.00 -0.63 0.00 0.00 39.34 36.14 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 0.50 3.52 0.31 2.97 1.01 -1.26 -5.00 121.20 123.25 2gjv s ILE 34 Ca 0.77 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 2gjv s ILE 34 Cb -0.74 -2.77 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 2gjv s ILE 34 CO 0.44 0.17 1.38 -2.84 0.00 0.00 0.00 174.94 174.09 2gjv s PRO 35 N 1.44 4.29 -0.12 2.79 0.02 -1.26 -5.00 135.00 137.16 2gjv s PRO 35 Ca 0.02 2.30 -0.15 0.00 0.02 0.00 0.00 61.00 63.19 2gjv s PRO 35 Cb -0.17 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 2gjv s PRO 35 CO -0.01 -0.31 0.36 0.99 -0.33 0.00 0.00 177.00 177.70 2gjv s THR 36 N -0.80 5.23 0.00 0.99 2.01 -1.26 -4.94 115.64 116.87 2gjv s THR 36 Ca 0.53 0.70 0.00 0.00 0.31 0.00 0.00 61.69 63.23 2gjv s THR 36 Cb -0.42 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2gjv s THR 36 CO 0.52 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 175.47 2gjv n GLY 37 N 3.05 -2.84 0.01 4.40 0.00 -1.26 -4.80 105.19 103.74 2gjv n GLY 37 Ca -0.11 -1.92 0.07 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.15 0.82 -1.03 1.61 6.02 -1.26 -5.04 117.38 118.35 2gjv n GLN 38 Ca 0.00 -0.10 -0.32 0.00 -0.01 0.00 0.00 57.00 56.57 2gjv n GLN 38 Cb 0.00 -1.30 0.13 0.00 1.02 0.00 0.00 30.24 30.09 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 -2.84 1.63 0.14 -1.09 -0.21 -1.26 -4.94 119.66 111.09 2gjv s GLN 39 Ca -0.03 1.50 -0.31 0.00 0.02 0.00 0.00 55.36 56.53 2gjv s GLN 39 Cb 0.09 -1.80 -0.10 0.00 1.00 0.00 0.00 33.01 32.20 2gjv s GLN 39 CO 0.58 -2.17 1.69 0.08 -2.12 0.00 0.00 175.29 173.35 2gjv s VAL 40 N -2.55 2.55 -0.10 1.09 1.01 -1.26 -4.84 120.40 116.30 2gjv s VAL 40 Ca 0.67 0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.91 2gjv s VAL 40 Cb -0.23 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2gjv s VAL 40 CO 0.54 0.01 -0.09 -0.89 0.00 0.00 0.00 175.10 174.67 2gjv s THR 41 N 1.88 3.43 -0.08 3.92 2.01 -1.19 0.14 115.64 125.73 2gjv s THR 41 Ca 0.75 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 2gjv s THR 41 Cb -0.45 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 69.66 2gjv s THR 41 CO 0.33 0.55 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.07 2gjv s VAL 42 N -0.16 0.74 -0.19 3.82 1.01 -0.64 -0.61 120.40 124.37 2gjv s VAL 42 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 2gjv s VAL 42 Cb -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2gjv s VAL 42 CO 0.03 0.31 0.04 -0.76 0.00 0.00 0.00 175.10 174.72 2gjv s LEU 43 N 1.54 3.59 -0.13 3.92 1.43 -0.52 -0.78 118.68 127.73 2gjv s LEU 43 Ca -0.00 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2gjv s LEU 43 Cb -0.13 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 2gjv s LEU 43 CO -0.04 0.12 0.31 -0.63 0.23 0.00 0.00 176.35 176.33 2gjv s ILE 44 N 0.70 5.28 -0.04 -0.59 -1.09 0.85 -1.10 121.20 125.21 2gjv s ILE 44 Ca 0.02 0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 59.02 2gjv s ILE 44 Cb -0.14 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2gjv s ILE 44 CO 0.02 0.44 0.07 -2.28 -1.23 0.00 0.00 174.94 171.96 2gjv s HIS 45 N 0.11 -0.04 -0.48 3.97 2.46 0.67 -3.97 115.29 118.01 2gjv s HIS 45 Ca 0.18 0.27 -0.26 0.00 0.47 0.00 0.00 55.06 55.72 2gjv s HIS 45 Cb -0.14 -0.19 0.03 0.00 -0.13 0.00 0.00 32.58 32.16 2gjv s HIS 45 CO 0.06 -0.12 0.96 -0.47 -2.47 0.00 0.00 174.74 172.69 2gjv s TYR 46 N 1.14 2.89 -0.06 3.88 5.04 -1.26 -0.59 117.35 128.38 2gjv s TYR 46 Ca -0.09 0.37 0.13 0.00 -2.44 0.00 0.00 57.07 55.05 2gjv s TYR 46 Cb -0.12 -4.05 0.05 0.00 0.35 0.00 0.00 41.96 38.19 2gjv s TYR 46 CO -0.04 -1.16 1.43 0.00 -1.34 0.00 0.00 175.55 174.44 2gjv n GLY 48 N 1.17 0.91 3.11 0.00 0.00 -1.22 -4.97 105.19 104.18 2gjv n GLY 48 Ca 0.01 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.14 0.24 -0.08 1.61 0.01 -1.26 -0.93 113.70 111.16 2gjv s SER 49 Ca 0.00 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 56.66 2gjv s SER 49 Cb 0.00 0.22 -0.00 0.00 0.21 0.00 0.00 66.02 66.45 2gjv s SER 49 CO 0.00 -0.53 -0.22 -0.69 0.41 0.00 0.00 173.24 172.21 2gjv s VAL 50 N -2.91 1.83 -0.22 3.43 1.01 -0.70 -4.97 120.40 117.86 2gjv s VAL 50 Ca -0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 2gjv s VAL 50 Cb 0.01 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2gjv s VAL 50 CO -0.06 0.51 0.03 -0.36 0.00 0.00 0.00 175.10 175.22 2gjv s PHE 51 N 0.21 3.07 0.74 5.22 0.40 -1.26 -1.21 117.98 125.15 2gjv s PHE 51 Ca -0.12 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.66 2gjv s PHE 51 Cb -0.16 -2.15 0.04 0.00 0.51 0.00 0.00 43.02 41.26 2gjv s PHE 51 CO 0.06 -0.28 1.08 0.00 0.70 0.00 0.00 175.22 176.78 2gjv s ALA 52 N 1.25 2.42 0.73 5.36 0.00 0.53 -4.96 121.76 127.07 2gjv s ALA 52 Ca 0.04 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 2gjv s ALA 52 Cb -0.15 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.77 2gjv s ALA 52 CO 0.02 -1.56 1.12 -1.21 0.00 0.00 0.00 175.76 174.12 2gjv s GLU 53 N -4.95 2.38 0.73 0.00 2.02 -1.26 -4.21 118.70 113.41 2gjv s GLU 53 Ca 0.60 1.36 -0.15 0.00 0.02 0.00 0.00 54.97 56.80 2gjv s GLU 53 Cb -0.16 -1.90 0.04 0.00 0.10 0.00 0.00 34.13 32.21 2gjv s GLU 53 CO 0.56 -1.57 1.22 -2.14 0.02 0.00 0.00 175.26 173.35 2gjv s PRO 54 N -4.42 2.13 -1.00 0.39 0.02 -1.25 -4.66 135.00 126.21 2gjv s PRO 54 Ca 0.66 1.81 -0.03 0.00 0.02 0.00 0.00 61.00 63.45 2gjv s PRO 54 Cb -0.20 -1.83 0.28 0.00 0.02 0.00 0.00 34.50 32.77 2gjv s PRO 54 CO 0.49 -1.86 1.19 -1.91 -0.33 0.00 0.00 177.00 174.58 2gjv n GLU 55 N -2.67 3.71 -3.59 5.54 2.13 -1.26 -4.77 120.64 119.73 2gjv n GLU 55 Ca 0.14 -4.54 -0.26 0.00 0.66 0.00 0.00 57.16 53.15 2gjv n GLU 55 Cb 0.50 -2.47 0.03 0.00 0.27 0.00 0.00 31.44 29.77 2gjv n GLU 55 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2gjv n ASN 56 N 1.71 -5.17 -4.39 4.31 4.13 -1.26 -4.99 115.26 109.60 2gjv n ASN 56 Ca 0.25 -0.57 -0.21 0.00 1.68 0.00 0.00 54.58 55.73 2gjv n ASN 56 Cb 0.36 -4.14 -0.10 0.00 -1.54 0.00 0.00 39.78 34.36 2gjv n ASN 56 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2gjv s THR 57 N -3.21 2.04 0.21 3.41 -4.23 -1.26 -5.04 115.64 107.56 2gjv s THR 57 Ca 0.54 -2.27 -0.08 0.00 -1.18 0.00 0.00 61.69 58.70 2gjv s THR 57 Cb -0.26 -2.13 0.15 0.00 1.34 0.00 0.00 72.50 71.60 2gjv s THR 57 CO 0.66 -0.49 1.78 0.44 -0.54 0.00 0.00 174.62 176.47 2gjv h ASP 58 N 2.50 1.07 -3.86 3.99 3.32 -2.02 -3.44 116.42 117.99 2gjv h ASP 58 Ca -0.39 -0.16 -0.48 0.00 0.02 0.00 0.00 57.03 56.01 2gjv h ASP 58 Cb 1.23 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 2gjv h ASP 58 CO 0.60 0.94 0.39 0.00 -1.72 0.00 0.00 179.24 179.45 2gjv s ALA 59 N -5.59 3.25 -0.78 3.45 0.00 -1.26 -4.99 121.76 115.84 2gjv s ALA 59 Ca -0.12 0.67 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 2gjv s ALA 59 Cb 0.15 -3.24 0.09 0.00 0.00 0.00 0.00 23.12 20.12 2gjv s ALA 59 CO 0.83 0.02 1.06 0.99 0.00 0.00 0.00 175.76 178.66 2gjv s THR 60 N -1.43 4.43 -0.08 0.00 2.01 -1.26 -4.85 115.64 114.46 2gjv s THR 60 Ca 0.49 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.70 2gjv s THR 60 Cb -0.24 -4.75 0.01 0.00 0.01 0.00 0.00 72.50 67.53 2gjv s THR 60 CO 0.30 -1.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 171.88 2gjv s VAL 61 N 3.67 1.32 -0.05 3.82 1.01 -1.26 -1.99 120.40 126.91 2gjv s VAL 61 Ca 0.28 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2gjv s VAL 61 Cb -0.11 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.10 2gjv s VAL 61 CO 0.02 0.40 -0.06 -1.10 0.00 0.00 0.00 175.10 174.35 2gjv s GLN 62 N 0.66 1.04 0.20 2.72 -0.21 0.11 -3.90 119.66 120.27 2gjv s GLN 62 Ca -0.14 -0.18 -0.30 0.00 0.02 0.00 0.00 55.36 54.76 2gjv s GLN 62 Cb -0.16 -0.98 -0.08 0.00 1.00 0.00 0.00 33.01 32.79 2gjv s GLN 62 CO 0.04 -0.06 1.18 0.21 -2.12 0.00 0.00 175.29 174.53 2gjv s LYS 63 N 0.88 4.52 -0.12 2.91 2.20 -1.26 0.13 119.74 129.00 2gjv s LYS 63 Ca -0.12 1.85 0.03 0.00 -0.36 0.00 0.00 55.97 57.38 2gjv s LYS 63 Cb -0.15 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2gjv s LYS 63 CO 0.01 -0.04 -0.22 -1.14 -0.36 0.00 0.00 175.35 173.60 2gjv s GLN 64 N -0.40 2.93 -0.27 4.03 0.74 0.06 -0.35 119.66 126.40 2gjv s GLN 64 Ca 0.51 -0.83 -0.09 0.00 0.05 0.00 0.00 55.36 55.01 2gjv s GLN 64 Cb -0.32 -2.32 -0.03 0.00 1.10 0.00 0.00 33.01 31.44 2gjv s GLN 64 CO 0.37 0.04 0.11 -1.17 -0.55 0.00 0.00 175.29 174.09 2gjv s LEU 65 N 0.69 3.71 -0.24 3.68 2.96 -0.35 -1.41 118.68 127.72 2gjv s LEU 65 Ca -0.11 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 2gjv s LEU 65 Cb -0.16 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 2gjv s LEU 65 CO 0.01 -0.07 0.12 -0.63 -1.32 0.00 0.00 176.35 174.47 2gjv s ILE 66 N 1.65 4.93 -0.22 6.68 1.01 0.71 -1.72 121.20 134.24 2gjv s ILE 66 Ca 0.06 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 2gjv s ILE 66 Cb -0.16 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 2gjv s ILE 66 CO 0.06 0.34 0.13 -0.13 0.00 0.00 0.00 174.94 175.33 2gjv s ARG 67 N 1.29 4.04 -0.03 2.79 0.52 -0.10 -0.58 118.95 126.88 2gjv s ARG 67 Ca 0.06 -0.29 0.04 0.00 -0.52 0.00 0.00 55.73 55.02 2gjv s ARG 67 Cb -0.14 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 2gjv s ARG 67 CO 0.05 0.12 -0.15 0.42 0.02 0.00 0.00 175.30 175.77 2gjv s ILE 68 N 0.85 1.22 0.04 1.52 1.01 -0.07 -0.69 121.20 125.08 2gjv s ILE 68 Ca 0.07 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.17 2gjv s ILE 68 Cb -0.13 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 2gjv s ILE 68 CO 0.03 0.35 -0.21 -0.94 0.00 0.00 0.00 174.94 174.16 2gjv s SER 69 N -0.10 3.54 -0.15 3.58 1.04 0.24 -0.11 113.70 121.74 2gjv s SER 69 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2gjv s SER 69 Cb -0.09 -0.49 0.03 0.00 0.10 0.00 0.00 66.02 65.57 2gjv s SER 69 CO 0.01 0.26 -0.13 0.00 0.98 0.00 0.00 173.24 174.36 2gjv s ALA 70 N -0.87 1.83 -0.15 5.32 0.00 -0.31 -0.23 121.76 127.35 2gjv s ALA 70 Ca 0.13 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2gjv s ALA 70 Cb -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.94 2gjv s ALA 70 CO 0.04 -0.45 -0.17 0.99 0.00 0.00 0.00 175.76 176.17 2gjv s THR 71 N 1.50 2.53 0.10 0.00 2.01 -0.26 0.01 115.64 121.53 2gjv s THR 71 Ca 0.04 -0.82 -0.25 0.00 0.31 0.00 0.00 61.69 60.97 2gjv s THR 71 Cb -0.13 -2.06 -0.07 0.00 0.01 0.00 0.00 72.50 70.25 2gjv s THR 71 CO -0.10 0.52 0.77 -0.69 -0.69 0.00 0.00 174.62 174.43 2gjv s VAL 72 N 0.81 4.57 -0.20 3.82 1.01 0.68 -1.44 120.40 129.65 2gjv s VAL 72 Ca -0.06 1.66 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 2gjv s VAL 72 Cb -0.15 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.16 2gjv s VAL 72 CO -0.00 0.44 0.01 -0.63 0.00 0.00 0.00 175.10 174.91 2gjv s ILE 73 N -0.56 0.84 0.05 2.22 1.01 0.22 -1.96 121.20 123.01 2gjv s ILE 73 Ca 0.37 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 2gjv s ILE 73 Cb -0.22 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.01 2gjv s ILE 73 CO 0.24 -0.16 0.25 0.68 0.00 0.00 0.00 174.94 175.96 2gjv s VAL 74 N 1.72 0.10 0.08 2.92 -7.23 -0.61 -3.20 120.40 114.18 2gjv s VAL 74 Ca -0.02 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 59.02 2gjv s VAL 74 Cb -0.17 -0.97 -0.16 0.00 0.56 0.00 0.00 36.38 35.63 2gjv s VAL 74 CO -0.07 -0.45 1.63 -0.65 -0.31 0.00 0.00 175.10 175.25 2gjv h PRO 75 N 3.24 -0.74 -6.53 4.82 0.11 -1.85 0.53 132.00 131.57 2gjv h PRO 75 Ca -0.32 0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.32 2gjv h PRO 75 Cb 1.20 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.45 2gjv h PRO 75 CO 0.48 -0.49 0.24 -0.65 -0.21 0.00 0.00 178.00 177.37 2gjv s GLN 76 N -6.05 4.64 0.34 1.05 -0.21 -1.26 -4.06 119.66 114.10 2gjv s GLN 76 Ca -0.17 1.26 0.15 0.00 0.02 0.00 0.00 55.36 56.62 2gjv s GLN 76 Cb 0.05 -3.30 0.59 0.00 1.00 0.00 0.00 33.01 31.34 2gjv s GLN 76 CO 0.63 0.45 1.71 0.97 -2.12 0.00 0.00 175.29 176.93 2gjv h ILE 77 N 3.56 1.14 -0.33 1.08 2.10 -1.96 -2.32 117.51 120.79 2gjv h ILE 77 Ca -0.45 -1.68 -0.09 0.00 1.08 0.00 0.00 64.86 63.72 2gjv h ILE 77 Cb 1.21 1.96 -0.02 0.00 -1.09 0.00 0.00 36.82 38.88 2gjv h ILE 77 CO 0.68 0.45 -0.16 0.77 -1.08 0.00 0.00 178.15 178.82 2gjv h SER 78 N 0.00 0.57 0.50 2.19 4.64 -1.98 -1.01 113.55 118.47 2gjv h SER 78 Ca -0.00 -0.17 -0.19 0.00 -0.47 0.00 0.00 61.79 60.96 2gjv h SER 78 Cb 0.92 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2gjv h SER 78 CO 0.06 0.75 -0.82 0.44 -0.87 0.00 0.00 176.83 176.39 2gjv h ASP 79 N 0.53 0.30 -0.33 4.97 3.32 -1.93 -1.95 116.42 121.32 2gjv h ASP 79 Ca 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2gjv h ASP 79 Cb 0.58 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2gjv h ASP 79 CO 0.04 0.99 0.17 0.00 -1.72 0.00 0.00 179.24 178.72 2gjv h ALA 80 N 0.99 0.42 -0.28 3.45 0.00 -1.01 0.12 119.26 122.96 2gjv h ALA 80 Ca -0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2gjv h ALA 80 Cb 1.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2gjv h ALA 80 CO 0.13 -0.03 -0.07 0.82 0.00 0.00 0.00 179.25 180.09 2gjv h ILE 81 N 0.40 1.28 -0.58 0.00 2.04 -1.17 -0.51 117.51 118.97 2gjv h ILE 81 Ca 0.11 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.91 2gjv h ILE 81 Cb 0.10 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2gjv h ILE 81 CO -0.02 0.35 0.33 0.78 0.00 0.00 0.00 178.15 179.60 2gjv h ASN 82 N 0.29 0.52 -0.47 1.72 2.35 -1.27 -1.63 115.58 117.08 2gjv h ASN 82 Ca 0.07 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2gjv h ASN 82 Cb 0.56 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 2gjv h ASN 82 CO 0.03 0.36 0.20 0.00 -1.65 0.00 0.00 177.43 176.37 2gjv h ALA 83 N 1.28 1.40 -0.46 -0.83 0.00 -0.51 -2.26 119.26 117.88 2gjv h ALA 83 Ca 0.24 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2gjv h ALA 83 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2gjv h ALA 83 CO -0.13 0.46 -0.17 1.25 0.00 0.00 0.00 179.25 180.65 2gjv h LEU 84 N 0.73 0.90 -0.94 0.00 5.85 -0.48 -1.46 115.31 119.91 2gjv h LEU 84 Ca 0.18 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2gjv h LEU 84 Cb 0.15 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2gjv h LEU 84 CO -0.02 1.05 0.52 0.44 -0.34 0.00 0.00 178.44 180.09 2gjv h ASP 85 N 0.78 1.12 -0.68 1.25 5.19 -0.87 -1.98 116.42 121.24 2gjv h ASP 85 Ca 0.11 -0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 2gjv h ASP 85 Cb 0.71 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 2gjv h ASP 85 CO 0.05 0.88 0.15 0.03 -3.12 0.00 0.00 179.24 177.24 2gjv h ARG 86 N 1.27 1.09 -0.79 3.56 2.47 -0.99 -2.34 114.38 118.65 2gjv h ARG 86 Ca 0.32 -0.27 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 2gjv h ARG 86 Cb -0.00 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.14 2gjv h ARG 86 CO -0.05 0.98 0.33 -0.07 0.56 0.00 0.00 179.97 181.72 2gjv h LEU 87 N 1.02 1.07 -0.18 3.04 3.38 -0.98 -2.13 115.31 120.53 2gjv h LEU 87 Ca 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2gjv h LEU 87 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2gjv h LEU 87 CO 0.01 0.94 0.04 -0.09 0.09 0.00 0.00 178.44 179.42 2gjv h ARG 88 N 1.13 0.30 0.00 1.13 2.43 -1.18 0.15 114.38 118.35 2gjv h ARG 88 Ca 0.26 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2gjv h ARG 88 Cb 0.19 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2gjv h ARG 88 CO -0.02 0.44 -0.10 0.07 -1.51 0.00 0.00 179.97 178.85 2gjv h ARG 89 N 0.10 0.00 0.01 0.20 0.11 -1.43 -1.69 114.38 111.68 2gjv h ARG 89 Ca 0.06 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.87 2gjv h ARG 89 Cb 0.29 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.38 2gjv h ARG 89 CO 0.00 0.10 -1.05 0.77 0.10 0.00 0.00 179.97 179.89 2gjv h SER 90 N 0.00 0.84 0.00 0.08 0.02 -1.16 -3.39 113.55 109.95 2gjv h SER 90 Ca -0.00 -0.68 -0.25 0.00 -0.84 0.00 0.00 61.79 60.01 2gjv h SER 90 Cb 0.92 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 2gjv h SER 90 CO 0.01 1.49 -2.26 0.18 -1.14 0.00 0.00 176.83 175.11 2gjv n LEU 91 N -3.83 0.00 -4.69 5.07 4.77 0.02 -4.89 117.00 113.46 2gjv n LEU 91 Ca -0.10 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 2gjv n LEU 91 Cb 0.89 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 42.28 2gjv n LEU 91 CO 0.55 0.34 1.40 0.61 -1.33 0.00 0.00 177.39 178.97 2gjv n GLY 92 N 1.59 1.53 2.29 -0.72 0.00 -0.64 -3.02 105.19 106.22 2gjv n GLY 92 Ca -0.24 0.69 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 4.04 1.06 3.85 -0.02 0.00 -0.12 -4.98 105.19 109.00 2gjv n GLY 93 Ca 0.18 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.39 4.62 0.32 -0.61 -4.36 -1.17 -4.56 121.20 113.05 2gjv s ILE 94 Ca 0.00 1.03 -0.28 0.00 -0.26 0.00 0.00 60.65 61.14 2gjv s ILE 94 Cb 0.00 -3.66 -0.09 0.00 1.25 0.00 0.00 42.46 39.95 2gjv s ILE 94 CO 0.00 -0.41 1.14 -1.61 0.24 0.00 0.00 174.94 174.29 2gjv s GLU 95 N -3.50 4.46 -0.03 0.37 2.02 -1.26 -0.64 118.70 120.12 2gjv s GLU 95 Ca 0.56 1.84 0.05 0.00 0.02 0.00 0.00 54.97 57.44 2gjv s GLU 95 Cb -0.10 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.10 2gjv s GLU 95 CO 0.23 0.03 -0.17 -0.51 0.02 0.00 0.00 175.26 174.87 2gjv s LEU 96 N -1.79 1.97 0.19 1.80 1.43 -1.26 -4.92 118.68 116.09 2gjv s LEU 96 Ca 0.48 -0.33 -0.32 0.00 -1.03 0.00 0.00 54.13 52.94 2gjv s LEU 96 Cb -0.32 -0.92 -0.11 0.00 0.03 0.00 0.00 46.19 44.87 2gjv s LEU 96 CO 0.41 0.18 1.69 -2.16 0.23 0.00 0.00 176.35 176.70 2gjv s PRO 97 N -0.16 4.15 -1.90 1.29 0.04 -1.26 -2.38 135.00 134.78 2gjv s PRO 97 Ca 0.01 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2gjv s PRO 97 Cb -0.09 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2gjv s PRO 97 CO 0.01 -0.72 0.00 -0.25 0.04 0.00 0.00 177.00 176.08 2gjv n ASP 98 N 4.14 -5.72 -4.79 6.66 8.00 -1.26 -4.80 116.55 118.78 2gjv n ASP 98 Ca 0.15 0.16 -0.30 0.00 0.71 0.00 0.00 54.79 55.51 2gjv n ASP 98 Cb 0.36 -4.85 -0.06 0.00 -0.02 0.00 0.00 41.12 36.55 2gjv n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gjv h ASP 100 N 3.23 0.00 -5.32 0.00 3.32 -1.08 -3.47 116.42 113.10 2gjv h ASP 100 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 2gjv h ASP 100 Cb 1.16 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.63 2gjv h ASP 100 CO 0.66 0.39 -0.16 0.00 -1.72 0.00 0.00 179.24 178.42 2gjv s ARG 101 N -4.08 1.63 1.00 3.56 1.70 -1.26 -5.08 118.95 116.42 2gjv s ARG 101 Ca -0.02 -1.40 -0.12 0.00 -0.47 0.00 0.00 55.73 53.71 2gjv s ARG 101 Cb 0.14 0.45 0.19 0.00 -0.57 0.00 0.00 34.95 35.17 2gjv s ARG 101 CO 0.72 -0.67 1.08 -2.14 -1.08 0.00 0.00 175.30 173.21 2gjv s PRO 102 N -3.74 0.37 0.21 3.89 0.02 -1.26 -4.63 135.00 129.86 2gjv s PRO 102 Ca 0.25 0.84 -0.30 0.00 0.02 0.00 0.00 61.00 61.81 2gjv s PRO 102 Cb -0.00 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.72 2gjv s PRO 102 CO 0.12 -2.85 1.42 -1.17 -0.33 0.00 0.00 177.00 174.18 2gjv s LEU 103 N -6.62 4.39 0.04 -5.54 0.20 0.18 -4.81 118.68 106.53 2gjv s LEU 103 Ca 0.66 2.56 0.06 0.00 0.69 0.00 0.00 54.13 58.10 2gjv s LEU 103 Cb -0.21 -3.61 -0.03 0.00 -0.43 0.00 0.00 46.19 41.91 2gjv s LEU 103 CO 0.59 -0.67 -0.13 0.26 -0.29 0.00 0.00 176.35 176.12 2gjv s TRP 104 N 0.27 2.69 0.17 5.38 0.51 -0.53 -0.95 118.94 126.48 2gjv s TRP 104 Ca 0.60 -0.17 -0.22 0.00 -2.12 0.00 0.00 56.10 54.19 2gjv s TRP 104 Cb -0.40 -1.50 -0.08 0.00 -0.81 0.00 0.00 33.47 30.68 2gjv s TRP 104 CO 0.39 0.32 0.71 -0.51 -0.51 0.00 0.00 176.95 177.36 2gjv s LEU 105 N -1.60 4.47 -0.05 2.99 1.43 -1.26 -0.92 118.68 123.74 2gjv s LEU 105 Ca 0.17 1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 54.72 2gjv s LEU 105 Cb -0.11 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 2gjv s LEU 105 CO 0.08 0.15 -0.06 1.21 0.23 0.00 0.00 176.35 177.95 2gjv n GLU 106 N 1.23 0.10 -3.49 1.70 2.13 -0.03 -4.83 120.64 117.45 2gjv n GLU 106 Ca -0.05 0.05 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2gjv n GLU 106 Cb 0.50 -0.68 -0.02 0.00 0.27 0.00 0.00 31.44 31.51 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 -5.44 -0.44 -0.01 4.31 1.04 -0.89 -5.00 113.70 107.26 2gjv s SER 107 Ca -0.07 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.38 2gjv s SER 107 Cb 0.03 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 2gjv s SER 107 CO 0.09 -0.82 -0.20 -1.61 0.98 0.00 0.00 173.24 171.67 2gjv s GLU 108 N -3.45 1.62 -0.07 4.02 2.02 -1.26 0.33 118.70 121.90 2gjv s GLU 108 Ca 0.04 -0.74 -0.17 0.00 0.02 0.00 0.00 54.97 54.12 2gjv s GLU 108 Cb -0.01 -1.58 0.04 0.00 0.10 0.00 0.00 34.13 32.68 2gjv s GLU 108 CO -0.10 0.43 0.41 -1.59 0.02 0.00 0.00 175.26 174.43 2gjv s LYS 109 N -0.53 0.67 -0.02 1.61 -2.85 -0.37 -4.99 119.74 113.26 2gjv s LYS 109 Ca 0.08 0.17 -0.30 0.00 -1.00 0.00 0.00 55.97 54.91 2gjv s LYS 109 Cb -0.08 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.97 2gjv s LYS 109 CO -0.01 -0.16 1.10 -0.47 0.10 0.00 0.00 175.35 175.91 2gjv s TYR 110 N -0.73 3.45 -0.20 1.78 5.04 -1.26 -0.78 117.35 124.64 2gjv s TYR 110 Ca -0.08 1.45 0.11 0.00 -2.44 0.00 0.00 57.07 56.11 2gjv s TYR 110 Cb -0.04 -3.29 -0.20 0.00 0.35 0.00 0.00 41.96 38.78 2gjv s TYR 110 CO 0.04 -0.71 -0.04 -0.89 -1.34 0.00 0.00 175.55 172.61 2gjv n ILE 111 N 4.23 1.32 -1.64 3.14 2.08 0.13 -4.95 119.36 123.67 2gjv n ILE 111 Ca 0.09 -0.70 0.00 0.00 0.56 0.00 0.00 62.75 62.70 2gjv n ILE 111 Cb 0.48 -0.81 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 2gjv n ILE 111 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gjv n GLY 112 N 2.03 -1.28 0.98 7.39 0.00 -1.20 -4.98 105.19 108.13 2gjv n GLY 112 Ca -0.35 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.28 2gjv n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gjv n ASP 113 N 3.00 1.30 -4.74 1.61 2.03 -1.26 -1.02 116.55 117.47 2gjv n ASP 113 Ca 0.00 -2.83 -0.42 0.00 0.52 0.00 0.00 54.79 52.06 2gjv n ASP 113 Cb 0.00 -0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 2gjv n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gjv n ALA 114 N -0.30 2.16 -1.74 -1.67 0.00 -1.24 -1.23 120.51 116.48 2gjv n ALA 114 Ca 0.11 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.74 2gjv n ALA 114 Cb 0.90 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.89 2gjv n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gjv n ALA 115 N 1.32 -0.37 -2.71 0.00 0.00 -1.26 -2.07 120.51 115.42 2gjv n ALA 115 Ca 0.06 0.26 -0.16 0.00 0.00 0.00 0.00 53.44 53.60 2gjv n ALA 115 Cb 0.37 -1.87 0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.28 -4.91 -4.20 0.00 3.02 -0.37 -5.02 115.26 102.49 2gjv n ASN 116 Ca -0.19 -0.17 -0.34 0.00 -0.03 0.00 0.00 54.58 53.85 2gjv n ASN 116 Cb 0.61 -3.83 -0.15 0.00 -0.61 0.00 0.00 39.78 35.80 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 -2.96 2.84 0.21 3.10 0.40 -0.88 -4.48 117.98 116.22 2gjv s PHE 117 Ca 0.18 -1.35 -0.30 0.00 -0.60 0.00 0.00 56.93 54.86 2gjv s PHE 117 Cb -0.08 -1.98 -0.09 0.00 0.51 0.00 0.00 43.02 41.38 2gjv s PHE 117 CO 0.22 -0.69 1.20 0.00 0.70 0.00 0.00 175.22 176.64 2gjv s ARG 119 N -0.56 1.80 -0.07 0.00 0.52 -0.19 -1.57 118.95 118.88 2gjv s ARG 119 Ca 0.51 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.34 2gjv s ARG 119 Cb -0.33 -1.63 0.02 0.00 0.52 0.00 0.00 34.95 33.53 2gjv s ARG 119 CO 0.39 -0.11 -0.11 0.71 0.02 0.00 0.00 175.30 176.19 2gjv s TYR 120 N 1.16 1.44 -0.11 -0.53 1.51 -0.83 -0.69 117.35 119.30 2gjv s TYR 120 Ca -0.05 -0.56 -0.03 0.00 -1.01 0.00 0.00 57.07 55.43 2gjv s TYR 120 Cb -0.14 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 2gjv s TYR 120 CO -0.03 -0.31 0.00 0.00 -1.11 0.00 0.00 175.55 174.10 2gjv s ALA 121 N 0.83 3.26 -0.28 3.71 0.00 0.04 -0.23 121.76 129.10 2gjv s ALA 121 Ca -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 2gjv s ALA 121 Cb -0.15 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 2gjv s ALA 121 CO 0.02 0.50 0.13 -1.17 0.00 0.00 0.00 175.76 175.23 2gjv s LEU 122 N -0.58 3.82 -0.17 0.00 2.96 0.10 -1.23 118.68 123.57 2gjv s LEU 122 Ca 0.10 -0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 2gjv s LEU 122 Cb -0.12 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 2gjv s LEU 122 CO 0.02 -0.10 0.13 -1.81 -1.32 0.00 0.00 176.35 173.27 2gjv s ASP 123 N 1.64 6.20 0.08 3.68 1.01 0.15 -1.16 116.67 128.28 2gjv s ASP 123 Ca 0.06 0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.63 2gjv s ASP 123 Cb -0.16 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2gjv s ASP 123 CO 0.06 0.25 -0.08 -0.04 0.21 0.00 0.00 175.17 175.57 2gjv s MET 124 N -0.05 0.77 0.04 8.23 -1.94 0.85 -0.85 119.30 126.34 2gjv s MET 124 Ca 0.10 -1.14 0.07 0.00 -1.71 0.00 0.00 55.69 53.01 2gjv s MET 124 Cb -0.11 -0.33 -0.02 0.00 2.01 0.00 0.00 34.83 36.37 2gjv s MET 124 CO -0.00 0.03 -0.21 0.95 -0.01 0.00 0.00 175.02 175.78 2gjv s THR 125 N -2.71 1.67 0.31 2.05 -4.23 -0.09 -0.89 115.64 111.75 2gjv s THR 125 Ca 0.05 -1.19 0.10 0.00 -1.18 0.00 0.00 61.69 59.47 2gjv s THR 125 Cb -0.01 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 2gjv s THR 125 CO -0.02 0.22 -0.08 0.00 -0.54 0.00 0.00 174.62 174.20 2gjv s ALA 126 N -0.79 2.99 -0.00 3.99 0.00 0.26 -1.45 121.76 126.76 2gjv s ALA 126 Ca 0.07 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.13 2gjv s ALA 126 Cb -0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 2gjv s ALA 126 CO 0.02 0.17 -0.04 0.45 0.00 0.00 0.00 175.76 176.36 2gjv s SER 127 N -3.62 0.48 0.24 0.00 0.15 -1.26 -0.20 113.70 109.49 2gjv s SER 127 Ca 0.32 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.82 2gjv s SER 127 Cb -0.02 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2gjv s SER 127 CO 0.17 0.05 0.36 0.28 1.20 0.00 0.00 173.24 175.30 2gjv s THR 128 N -0.07 0.00 -0.22 6.45 -1.32 -0.50 -0.43 115.64 119.54 2gjv s THR 128 Ca 0.01 -1.63 -0.03 0.00 -1.21 0.00 0.00 61.69 58.83 2gjv s THR 128 Cb -0.02 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 2gjv s THR 128 CO -0.00 0.00 -0.06 -0.22 -2.21 0.00 0.00 174.62 172.12 2gjv s LEU 129 N -3.09 2.88 -0.06 9.08 2.96 -1.26 -0.76 118.68 128.43 2gjv s LEU 129 Ca 0.29 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 53.42 2gjv s LEU 129 Cb 0.02 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2gjv s LEU 129 CO 0.11 -0.04 0.76 0.12 -1.32 0.00 0.00 176.35 175.97 2gjv s PHE 130 N 1.42 3.58 -0.22 5.38 5.36 0.12 -4.89 117.98 128.74 2gjv s PHE 130 Ca 0.05 1.33 0.02 0.00 -0.96 0.00 0.00 56.93 57.36 2gjv s PHE 130 Cb -0.15 -2.87 0.04 0.00 -0.34 0.00 0.00 43.02 39.71 2gjv s PHE 130 CO -0.05 0.05 -0.13 0.42 -1.46 0.00 0.00 175.22 174.06 2gjv s ILE 131 N 0.90 1.93 0.56 3.12 1.01 -1.26 -0.71 121.20 126.74 2gjv s ILE 131 Ca 0.40 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 2gjv s ILE 131 Cb -0.18 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 2gjv s ILE 131 CO 0.20 0.17 1.14 0.00 0.00 0.00 0.00 174.94 176.45 2gjv s ALA 132 N 1.26 2.66 0.37 9.38 0.00 -0.84 -5.01 121.76 129.59 2gjv s ALA 132 Ca -0.03 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 2gjv s ALA 132 Cb -0.17 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 2gjv s ALA 132 CO -0.08 -0.85 1.14 -1.21 0.00 0.00 0.00 175.76 174.75 2gjv s GLU 133 N -3.32 4.22 0.00 0.00 0.41 -1.26 -4.93 118.70 113.81 2gjv s GLU 133 Ca 0.73 1.78 0.00 0.00 -0.41 0.00 0.00 54.97 57.07 2gjv s GLU 133 Cb -0.25 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 2gjv s GLU 133 CO 0.28 -0.16 0.50 0.00 -0.49 0.00 0.00 175.26 175.40