#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 3.08 0.36 5.41 0.00 -1.26 -4.91 121.76 124.43 2gjv s ALA 0 Ca 0.00 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 2gjv s ALA 0 Cb 0.00 -3.10 -0.10 0.00 0.00 0.00 0.00 23.12 19.92 2gjv s ALA 0 CO 0.00 0.07 1.28 1.41 0.00 0.00 0.00 175.76 178.52 2gjv s MET 1 N -3.36 4.23 -0.30 0.00 1.75 -1.26 -4.99 119.30 115.37 2gjv s MET 1 Ca 0.60 2.15 -0.06 0.00 -1.25 0.00 0.00 55.69 57.13 2gjv s MET 1 Cb -0.09 -2.95 0.02 0.00 2.84 0.00 0.00 34.83 34.64 2gjv s MET 1 CO 0.18 -0.27 0.07 -1.21 -0.65 0.00 0.00 175.02 173.14 2gjv s GLU 2 N -1.95 2.92 0.20 4.11 2.02 -1.26 -5.00 118.70 119.74 2gjv s GLU 2 Ca 0.52 -0.97 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 2gjv s GLU 2 Cb -0.38 -3.36 0.23 0.00 0.10 0.00 0.00 34.13 30.72 2gjv s GLU 2 CO 0.50 -0.51 1.76 1.15 0.02 0.00 0.00 175.26 178.18 2gjv h THR 3 N 5.99 0.83 -0.83 3.63 2.02 -1.97 -1.82 112.91 120.76 2gjv h THR 3 Ca -0.29 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 66.78 2gjv h THR 3 Cb 1.11 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 2gjv h THR 3 CO 0.60 0.08 0.55 0.25 0.37 0.00 0.00 175.52 177.37 2gjv h LEU 4 N 0.44 0.88 -1.07 2.58 5.85 -1.99 -1.14 115.31 120.85 2gjv h LEU 4 Ca 0.28 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2gjv h LEU 4 Cb 0.29 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2gjv h LEU 4 CO -0.26 0.60 0.62 0.28 -0.34 0.00 0.00 178.44 179.35 2gjv h SER 5 N 1.02 1.01 -0.57 1.25 0.02 -1.76 0.27 113.55 114.79 2gjv h SER 5 Ca 0.33 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2gjv h SER 5 Cb 0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2gjv h SER 5 CO -0.10 0.67 0.14 0.58 -1.14 0.00 0.00 176.83 176.97 2gjv h VAL 6 N 1.15 1.25 -0.42 2.27 2.07 -1.03 0.21 116.25 121.75 2gjv h VAL 6 Ca 0.40 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 2gjv h VAL 6 Cb 0.10 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2gjv h VAL 6 CO -0.14 0.33 -0.01 0.40 0.02 0.00 0.00 177.57 178.17 2gjv h ILE 7 N 0.81 1.26 -0.58 4.57 1.08 -0.86 -2.30 117.51 121.49 2gjv h ILE 7 Ca 0.18 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2gjv h ILE 7 Cb 0.34 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 2gjv h ILE 7 CO 0.00 0.35 0.31 0.45 -0.69 0.00 0.00 178.15 178.57 2gjv h HIS 8 N 0.59 0.81 -0.19 1.37 3.86 -0.27 -1.00 115.15 120.32 2gjv h HIS 8 Ca 0.12 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2gjv h HIS 8 Cb 0.50 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2gjv h HIS 8 CO 0.04 0.60 0.06 1.15 0.86 0.00 0.00 177.93 180.64 2gjv h THR 9 N 0.79 0.95 -0.20 2.45 2.02 -0.85 0.43 112.91 118.49 2gjv h THR 9 Ca 0.20 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.35 2gjv h THR 9 Cb 0.07 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2gjv h THR 9 CO -0.03 0.03 0.08 0.58 0.37 0.00 0.00 175.52 176.55 2gjv h VAL 10 N 0.15 0.97 -0.37 3.16 2.07 -1.29 -0.86 116.25 120.09 2gjv h VAL 10 Ca 0.08 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2gjv h VAL 10 Cb 0.05 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2gjv h VAL 10 CO -0.09 0.03 0.20 0.00 0.02 0.00 0.00 177.57 177.73 2gjv h ALA 11 N 1.12 0.47 -0.61 1.67 0.00 -0.86 -1.82 119.26 119.23 2gjv h ALA 11 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2gjv h ALA 11 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2gjv h ALA 11 CO -0.08 0.00 0.05 -0.97 0.00 0.00 0.00 179.25 178.26 2gjv h ASN 12 N 0.46 1.00 -0.45 0.00 -0.73 -0.04 -1.27 115.58 114.56 2gjv h ASN 12 Ca 0.13 -0.28 0.01 0.00 1.87 0.00 0.00 56.30 58.03 2gjv h ASN 12 Cb 0.07 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.37 2gjv h ASN 12 CO -0.02 1.03 0.28 -0.09 -0.37 0.00 0.00 177.43 178.27 2gjv h ARG 13 N 0.93 0.56 -0.68 6.67 9.65 -1.06 -1.56 114.38 128.89 2gjv h ARG 13 Ca 0.18 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2gjv h ARG 13 Cb 0.49 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 2gjv h ARG 13 CO 0.02 0.37 0.44 -0.07 2.80 0.00 0.00 179.97 183.53 2gjv h LEU 14 N 0.57 0.80 -0.09 3.80 3.38 -1.06 -2.48 115.31 120.23 2gjv h LEU 14 Ca 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2gjv h LEU 14 Cb -0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2gjv h LEU 14 CO -0.05 0.60 0.02 0.03 0.09 0.00 0.00 178.44 179.13 2gjv h ARG 15 N 0.93 0.15 -1.00 1.13 3.08 -0.85 -0.63 114.38 117.18 2gjv h ARG 15 Ca 0.25 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.29 2gjv h ARG 15 Cb -0.08 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 2gjv h ARG 15 CO -0.05 0.32 0.65 0.93 -1.07 0.00 0.00 179.97 180.76 2gjv h GLU 16 N -0.06 1.24 0.00 0.04 5.08 -1.25 -2.67 114.58 116.97 2gjv h GLU 16 Ca 0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2gjv h GLU 16 Cb 0.24 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2gjv h GLU 16 CO 0.00 0.82 -0.66 1.28 -1.00 0.00 0.00 179.01 179.45 2gjv n LEU 17 N -4.43 0.69 -3.26 1.33 4.77 -0.94 -4.51 117.00 110.66 2gjv n LEU 17 Ca 0.13 0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 56.07 2gjv n LEU 17 Cb 0.08 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2gjv n LEU 17 CO 0.35 -0.05 -0.16 0.59 -1.33 0.00 0.00 177.39 176.80 2gjv n ASN 18 N -2.10 1.53 0.29 -1.43 3.02 -0.25 -4.97 115.26 111.35 2gjv n ASN 18 Ca 0.03 -2.99 0.18 0.00 -0.03 0.00 0.00 54.58 51.77 2gjv n ASN 18 Cb 0.44 -0.65 0.98 0.00 -0.61 0.00 0.00 39.78 39.94 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 4.00 0.00 -0.00 3.52 0.13 -1.74 -0.23 132.00 137.68 2gjv h PRO 19 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2gjv h PRO 19 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2gjv h PRO 19 CO 0.60 0.00 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.07 2gjv n ASP 20 N -3.58 0.26 -4.88 1.44 8.00 -1.26 -4.86 116.55 111.67 2gjv n ASP 20 Ca -0.02 -0.52 -0.31 0.00 0.71 0.00 0.00 54.79 54.65 2gjv n ASP 20 Cb 0.15 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.41 3.77 -0.54 -1.24 -1.94 -0.10 -4.05 119.30 112.79 2gjv s MET 21 Ca 0.32 0.27 -0.08 0.00 -1.71 0.00 0.00 55.69 54.49 2gjv s MET 21 Cb 0.20 -2.58 0.14 0.00 2.01 0.00 0.00 34.83 34.60 2gjv s MET 21 CO 0.45 0.22 0.40 0.34 -0.01 0.00 0.00 175.02 176.42 2gjv s ASP 22 N -2.71 5.71 -0.26 3.03 -1.08 0.91 -4.97 116.67 117.31 2gjv s ASP 22 Ca 0.48 -2.18 -0.10 0.00 -0.52 0.00 0.00 52.55 50.22 2gjv s ASP 22 Cb -0.11 -1.99 -0.05 0.00 -1.46 0.00 0.00 42.92 39.31 2gjv s ASP 22 CO 0.25 -0.61 0.17 -0.63 0.52 0.00 0.00 175.17 174.86 2gjv s ILE 23 N 0.95 5.25 0.22 4.11 1.01 -1.26 -1.39 121.20 130.09 2gjv s ILE 23 Ca 0.09 0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.99 2gjv s ILE 23 Cb -0.23 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2gjv s ILE 23 CO -0.02 0.30 -0.19 -1.00 0.00 0.00 0.00 174.94 174.03 2gjv s HIS 24 N 1.41 2.02 -0.52 3.97 3.76 0.35 -4.98 115.29 121.30 2gjv s HIS 24 Ca 0.07 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.59 2gjv s HIS 24 Cb -0.15 -0.94 0.13 0.00 1.11 0.00 0.00 32.58 32.74 2gjv s HIS 24 CO 0.07 0.50 0.28 0.42 -0.85 0.00 0.00 174.74 175.16 2gjv s ILE 25 N -2.42 2.44 0.24 0.60 1.01 -1.26 0.16 121.20 121.98 2gjv s ILE 25 Ca 0.23 -3.30 0.06 0.00 0.00 0.00 0.00 60.65 57.64 2gjv s ILE 25 Cb -0.04 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 2gjv s ILE 25 CO 0.10 -0.83 0.28 -0.55 0.00 0.00 0.00 174.94 173.93 2gjv s SER 26 N -0.31 5.92 0.00 3.58 0.15 -1.26 -5.00 113.70 116.78 2gjv s SER 26 Ca 0.18 -0.09 0.24 0.00 0.70 0.00 0.00 55.95 56.98 2gjv s SER 26 Cb -0.24 -1.63 0.74 0.00 -1.71 0.00 0.00 66.02 63.18 2gjv s SER 26 CO -0.01 -0.05 1.56 -1.54 1.20 0.00 0.00 173.24 174.39 2gjv n SER 27 N -1.28 2.01 -4.80 5.45 3.41 -1.26 -4.87 113.62 112.28 2gjv n SER 27 Ca -0.08 -1.71 -0.36 0.00 -0.26 0.00 0.00 58.87 56.46 2gjv n SER 27 Cb 0.57 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.86 5.30 0.25 6.66 2.01 -1.26 -5.07 115.64 121.67 2gjv s THR 28 Ca 0.35 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 2gjv s THR 28 Cb 0.20 -3.34 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 2gjv s THR 28 CO 0.30 0.56 1.46 -0.62 -0.69 0.00 0.00 174.62 175.63 2gjv s ASP 29 N -0.54 6.62 0.15 3.53 -1.08 -1.26 -4.87 116.67 119.22 2gjv s ASP 29 Ca 0.12 2.70 0.16 0.00 -0.52 0.00 0.00 52.55 55.01 2gjv s ASP 29 Cb -0.12 -2.62 0.72 0.00 -1.46 0.00 0.00 42.92 39.44 2gjv s ASP 29 CO 0.02 -0.73 1.48 0.00 0.52 0.00 0.00 175.17 176.47 2gjv n ALA 30 N 2.33 1.38 0.11 3.66 0.00 -1.26 -1.76 120.51 124.97 2gjv n ALA 30 Ca 0.07 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 2gjv n ALA 30 Cb 0.40 -1.25 0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 0.08 0.00 0.00 3.64 -1.93 -3.37 116.57 114.99 2gjv h LYS 31 Ca 0.00 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.12 2gjv h LYS 31 Cb 0.17 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2gjv h LYS 31 CO 0.00 0.75 -1.75 1.33 -2.27 0.00 0.00 179.45 177.51 2gjv n VAL 32 N -3.74 0.72 -1.51 2.00 0.24 -0.80 -4.50 118.33 110.74 2gjv n VAL 32 Ca -0.02 -0.46 -0.59 0.00 -2.04 0.00 0.00 64.34 61.23 2gjv n VAL 32 Cb 0.68 -0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 32.32 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 -2.39 1.00 -3.72 6.34 4.19 -0.72 -4.89 117.16 116.96 2gjv n TYR 33 Ca -0.17 1.04 -0.38 0.00 3.31 0.00 0.00 57.90 61.69 2gjv n TYR 33 Cb 0.83 -2.04 -0.12 0.00 0.49 0.00 0.00 39.34 38.51 2gjv n TYR 33 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2gjv s ILE 34 N 1.04 3.96 0.40 2.97 1.01 -1.26 -5.02 121.20 124.30 2gjv s ILE 34 Ca 0.91 -1.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.29 2gjv s ILE 34 Cb -1.29 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 37.88 2gjv s ILE 34 CO 0.63 -0.15 1.35 -2.84 0.00 0.00 0.00 174.94 173.93 2gjv s PRO 35 N 1.45 3.99 -0.96 2.79 0.02 -1.26 -4.98 135.00 136.05 2gjv s PRO 35 Ca -0.00 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.24 2gjv s PRO 35 Cb -0.19 -2.81 0.24 0.00 0.02 0.00 0.00 34.50 31.76 2gjv s PRO 35 CO 0.04 -0.51 0.88 0.95 -0.33 0.00 0.00 177.00 178.03 2gjv s THR 36 N -1.21 4.86 0.00 0.99 -4.23 -1.26 -4.96 115.64 109.82 2gjv s THR 36 Ca 0.56 -3.75 0.00 0.00 -1.18 0.00 0.00 61.69 57.32 2gjv s THR 36 Cb -0.40 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.46 2gjv s THR 36 CO 0.53 -1.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 2gjv n GLY 37 N 2.43 -0.43 0.01 3.99 0.00 -1.26 -5.01 105.19 104.90 2gjv n GLY 37 Ca 0.22 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 45.04 2gjv n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2gjv n GLN 38 N -0.97 0.82 -0.34 1.61 7.27 -1.26 -5.02 117.38 119.48 2gjv n GLN 38 Ca 0.00 -0.11 -0.29 0.00 0.07 0.00 0.00 57.00 56.67 2gjv n GLN 38 Cb 0.00 -1.33 0.28 0.00 2.41 0.00 0.00 30.24 31.61 2gjv n GLN 38 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2gjv n GLN 39 N -1.88 -3.77 -2.69 3.69 6.02 -1.26 -4.95 117.38 112.53 2gjv n GLN 39 Ca -0.02 -1.10 -0.43 0.00 -0.01 0.00 0.00 57.00 55.45 2gjv n GLN 39 Cb 0.36 -2.05 -0.02 0.00 1.02 0.00 0.00 30.24 29.55 2gjv n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2gjv s VAL 40 N -2.25 4.74 -0.15 5.09 1.01 -1.26 -4.91 120.40 122.66 2gjv s VAL 40 Ca 0.68 2.00 -0.07 0.00 0.00 0.00 0.00 61.98 64.59 2gjv s VAL 40 Cb -0.19 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2gjv s VAL 40 CO 0.62 -0.09 0.09 -0.89 0.00 0.00 0.00 175.10 174.83 2gjv s THR 41 N 2.62 5.02 -0.10 3.92 2.01 -1.15 -0.06 115.64 127.90 2gjv s THR 41 Ca 0.45 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 2gjv s THR 41 Cb -0.16 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.14 2gjv s THR 41 CO 0.11 0.52 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.80 2gjv s VAL 42 N -0.20 0.97 -0.22 3.82 1.01 -0.49 -0.71 120.40 124.58 2gjv s VAL 42 Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 2gjv s VAL 42 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2gjv s VAL 42 CO 0.01 0.35 0.09 -0.76 0.00 0.00 0.00 175.10 174.80 2gjv s LEU 43 N 1.61 3.80 -0.08 3.92 1.43 -0.51 -0.49 118.68 128.37 2gjv s LEU 43 Ca 0.03 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2gjv s LEU 43 Cb -0.13 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2gjv s LEU 43 CO -0.07 0.09 0.29 -0.63 0.23 0.00 0.00 176.35 176.26 2gjv s ILE 44 N 0.88 5.26 -0.06 -0.59 -1.09 0.12 -1.11 121.20 124.61 2gjv s ILE 44 Ca 0.05 0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 58.97 2gjv s ILE 44 Cb -0.13 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 2gjv s ILE 44 CO 0.03 0.55 0.15 -2.28 -1.23 0.00 0.00 174.94 172.16 2gjv s HIS 45 N -0.71 -0.17 -0.48 3.97 5.65 -0.48 -4.10 115.29 118.96 2gjv s HIS 45 Ca 0.19 0.43 -0.21 0.00 0.25 0.00 0.00 55.06 55.73 2gjv s HIS 45 Cb -0.14 0.02 0.04 0.00 -1.18 0.00 0.00 32.58 31.32 2gjv s HIS 45 CO 0.08 -0.11 0.69 -0.47 -0.65 0.00 0.00 174.74 174.28 2gjv s TYR 46 N 0.41 3.01 0.02 3.88 5.04 -1.26 -1.19 117.35 127.27 2gjv s TYR 46 Ca -0.03 -0.20 -0.19 0.00 -2.44 0.00 0.00 57.07 54.21 2gjv s TYR 46 Cb -0.04 -3.54 -0.20 0.00 0.35 0.00 0.00 41.96 38.52 2gjv s TYR 46 CO -0.02 -1.01 1.17 0.00 -1.34 0.00 0.00 175.55 174.36 2gjv n GLY 48 N 0.85 -0.75 3.13 0.00 0.00 -1.17 -5.00 105.19 102.25 2gjv n GLY 48 Ca -0.09 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.00 0.29 -0.03 1.61 0.01 -1.26 -0.42 113.70 109.90 2gjv s SER 49 Ca 0.00 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.53 2gjv s SER 49 Cb 0.00 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 2gjv s SER 49 CO 0.00 -0.62 -0.15 -0.69 0.41 0.00 0.00 173.24 172.19 2gjv s VAL 50 N -3.59 1.25 -0.13 3.43 1.01 -0.87 -4.99 120.40 116.50 2gjv s VAL 50 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2gjv s VAL 50 Cb 0.05 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 2gjv s VAL 50 CO -0.09 0.36 -0.15 -0.36 0.00 0.00 0.00 175.10 174.86 2gjv s PHE 51 N -0.13 2.77 0.68 5.22 0.40 -1.26 -1.36 117.98 124.30 2gjv s PHE 51 Ca 0.01 -0.81 -0.11 0.00 -0.60 0.00 0.00 56.93 55.42 2gjv s PHE 51 Cb -0.09 -1.84 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 2gjv s PHE 51 CO 0.01 -0.31 1.06 0.00 0.70 0.00 0.00 175.22 176.67 2gjv s ALA 52 N 0.49 2.80 0.60 5.36 0.00 0.25 -4.95 121.76 126.31 2gjv s ALA 52 Ca -0.10 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2gjv s ALA 52 Cb -0.16 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2gjv s ALA 52 CO 0.05 -1.08 1.13 -1.21 0.00 0.00 0.00 175.76 174.64 2gjv s GLU 53 N -5.13 3.05 0.43 0.00 2.02 -1.26 -4.10 118.70 113.71 2gjv s GLU 53 Ca 0.57 1.54 -0.25 0.00 0.02 0.00 0.00 54.97 56.85 2gjv s GLU 53 Cb -0.13 -1.97 -0.09 0.00 0.10 0.00 0.00 34.13 32.04 2gjv s GLU 53 CO 0.54 -1.08 1.26 -2.30 0.02 0.00 0.00 175.26 173.70 2gjv n PRO 54 N -1.84 1.86 -1.96 0.39 -0.02 -1.25 -4.73 135.00 127.44 2gjv n PRO 54 Ca 0.11 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 2gjv n PRO 54 Cb 0.51 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 2gjv n PRO 54 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gjv n GLU 55 N -0.04 4.09 -2.63 -0.52 1.02 -1.26 -4.57 120.64 116.73 2gjv n GLU 55 Ca 0.07 -3.23 -0.17 0.00 -0.02 0.00 0.00 57.16 53.81 2gjv n GLU 55 Cb 0.40 -2.78 0.01 0.00 -0.02 0.00 0.00 31.44 29.06 2gjv n GLU 55 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2gjv n ASN 56 N 2.85 -4.98 -4.64 1.62 3.02 -1.26 -5.02 115.26 106.85 2gjv n ASN 56 Ca 0.58 -0.14 -0.30 0.00 -0.03 0.00 0.00 54.58 54.69 2gjv n ASN 56 Cb 0.28 -3.93 -0.09 0.00 -0.61 0.00 0.00 39.78 35.43 2gjv n ASN 56 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2gjv s THR 57 N -2.94 3.73 0.32 3.41 -4.23 -1.26 -5.02 115.64 109.65 2gjv s THR 57 Ca 0.14 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2gjv s THR 57 Cb -0.06 -2.76 0.23 0.00 1.34 0.00 0.00 72.50 71.25 2gjv s THR 57 CO 0.17 0.13 1.95 0.44 -0.54 0.00 0.00 174.62 176.77 2gjv h ASP 58 N 3.56 0.80 -3.82 3.99 3.32 -2.00 -3.43 116.42 118.84 2gjv h ASP 58 Ca -0.48 -0.05 -0.48 0.00 0.02 0.00 0.00 57.03 56.04 2gjv h ASP 58 Cb 1.17 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2gjv h ASP 58 CO 0.56 0.64 0.24 0.00 -1.72 0.00 0.00 179.24 178.95 2gjv s ALA 59 N -5.63 3.24 -0.82 3.45 0.00 -1.26 -5.00 121.76 115.73 2gjv s ALA 59 Ca -0.10 0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.96 2gjv s ALA 59 Cb 0.17 -3.00 0.11 0.00 0.00 0.00 0.00 23.12 20.40 2gjv s ALA 59 CO 0.78 0.23 1.03 0.99 0.00 0.00 0.00 175.76 178.80 2gjv s THR 60 N -1.82 4.64 -0.17 0.00 2.01 -1.26 -4.90 115.64 114.14 2gjv s THR 60 Ca 0.52 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2gjv s THR 60 Cb -0.14 -4.72 0.02 0.00 0.01 0.00 0.00 72.50 67.68 2gjv s THR 60 CO 0.19 -1.45 -0.16 -0.69 -0.69 0.00 0.00 174.62 171.82 2gjv s VAL 61 N 3.01 1.80 -0.08 3.82 1.01 -1.26 -1.79 120.40 126.91 2gjv s VAL 61 Ca 0.27 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2gjv s VAL 61 Cb -0.10 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2gjv s VAL 61 CO -0.03 0.46 -0.13 -1.10 0.00 0.00 0.00 175.10 174.31 2gjv s GLN 62 N 1.39 1.90 0.03 2.72 -0.21 0.09 -3.92 119.66 121.65 2gjv s GLN 62 Ca 0.04 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 54.66 2gjv s GLN 62 Cb -0.13 -1.60 -0.06 0.00 1.00 0.00 0.00 33.01 32.22 2gjv s GLN 62 CO -0.11 -0.02 1.32 0.21 -2.12 0.00 0.00 175.29 174.57 2gjv s LYS 63 N 0.83 4.33 -0.17 2.91 2.20 -1.26 -0.30 119.74 128.29 2gjv s LYS 63 Ca -0.11 1.89 -0.01 0.00 -0.36 0.00 0.00 55.97 57.38 2gjv s LYS 63 Cb -0.15 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2gjv s LYS 63 CO 0.02 -0.46 -0.11 -1.14 -0.36 0.00 0.00 175.35 173.30 2gjv s GLN 64 N 1.83 3.32 -0.28 4.03 0.74 0.58 -0.58 119.66 129.30 2gjv s GLN 64 Ca 0.62 -0.69 -0.08 0.00 0.05 0.00 0.00 55.36 55.26 2gjv s GLN 64 Cb -0.31 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.03 2gjv s GLN 64 CO 0.27 -0.01 0.10 -1.17 -0.55 0.00 0.00 175.29 173.94 2gjv s LEU 65 N 0.92 3.78 -0.18 3.68 2.96 -0.46 -1.59 118.68 127.78 2gjv s LEU 65 Ca -0.02 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 2gjv s LEU 65 Cb -0.15 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 2gjv s LEU 65 CO -0.00 -0.13 0.13 -0.63 -1.32 0.00 0.00 176.35 174.40 2gjv s ILE 66 N 1.59 5.41 -0.14 6.68 1.01 -0.24 -2.05 121.20 133.46 2gjv s ILE 66 Ca 0.05 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 2gjv s ILE 66 Cb -0.16 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2gjv s ILE 66 CO 0.04 0.47 -0.05 -0.13 0.00 0.00 0.00 174.94 175.28 2gjv s ARG 67 N 0.09 3.52 -0.01 2.79 0.52 0.44 -1.19 118.95 125.11 2gjv s ARG 67 Ca 0.09 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2gjv s ARG 67 Cb -0.11 -2.84 -0.00 0.00 0.52 0.00 0.00 34.95 32.51 2gjv s ARG 67 CO -0.01 0.30 -0.05 0.42 0.02 0.00 0.00 175.30 175.98 2gjv s ILE 68 N 0.19 0.40 0.17 1.52 1.01 -0.41 -0.88 121.20 123.20 2gjv s ILE 68 Ca -0.03 -0.21 0.11 0.00 0.00 0.00 0.00 60.65 60.52 2gjv s ILE 68 Cb -0.14 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2gjv s ILE 68 CO 0.03 0.12 -0.23 -0.94 0.00 0.00 0.00 174.94 173.92 2gjv s SER 69 N -0.05 3.22 -0.17 3.58 1.04 -0.33 0.67 113.70 121.66 2gjv s SER 69 Ca 0.01 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 2gjv s SER 69 Cb -0.03 -0.22 0.05 0.00 0.10 0.00 0.00 66.02 65.91 2gjv s SER 69 CO -0.00 0.10 -0.03 0.00 0.98 0.00 0.00 173.24 174.29 2gjv s ALA 70 N -1.61 1.34 -0.19 5.32 0.00 0.03 -1.39 121.76 125.27 2gjv s ALA 70 Ca 0.18 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 2gjv s ALA 70 Cb -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2gjv s ALA 70 CO 0.08 -0.88 0.01 0.99 0.00 0.00 0.00 175.76 175.96 2gjv s THR 71 N 1.70 4.11 0.11 0.00 2.01 -0.27 -0.88 115.64 122.42 2gjv s THR 71 Ca 0.00 -0.26 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 2gjv s THR 71 Cb -0.16 -2.85 -0.07 0.00 0.01 0.00 0.00 72.50 69.43 2gjv s THR 71 CO -0.07 0.44 0.68 0.68 -0.69 0.00 0.00 174.62 175.66 2gjv s VAL 72 N 0.76 4.56 -0.26 3.82 -7.23 0.30 -1.42 120.40 120.93 2gjv s VAL 72 Ca 0.01 1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 61.64 2gjv s VAL 72 Cb -0.14 -4.03 0.08 0.00 0.56 0.00 0.00 36.38 32.85 2gjv s VAL 72 CO 0.02 0.52 0.05 -0.63 -0.31 0.00 0.00 175.10 174.76 2gjv s ILE 73 N -1.04 0.82 -0.05 -0.62 1.01 0.11 -2.29 121.20 119.14 2gjv s ILE 73 Ca 0.33 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 2gjv s ILE 73 Cb -0.21 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.84 2gjv s ILE 73 CO 0.23 -0.43 0.12 -0.69 0.00 0.00 0.00 174.94 174.17 2gjv s VAL 74 N 1.68 -0.01 0.18 2.92 1.01 -0.64 -2.93 120.40 122.62 2gjv s VAL 74 Ca 0.04 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 2gjv s VAL 74 Cb -0.17 -0.18 0.10 0.00 0.00 0.00 0.00 36.38 36.13 2gjv s VAL 74 CO -0.16 0.02 1.71 -0.65 0.00 0.00 0.00 175.10 176.01 2gjv h PRO 75 N 6.28 0.18 -5.59 2.72 0.11 -1.85 0.48 132.00 134.32 2gjv h PRO 75 Ca -0.29 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.16 2gjv h PRO 75 Cb 1.19 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.11 2gjv h PRO 75 CO 0.44 0.12 -0.58 -0.65 -0.21 0.00 0.00 178.00 177.12 2gjv s GLN 76 N -6.15 3.50 0.27 1.05 -0.21 -1.26 -3.93 119.66 112.94 2gjv s GLN 76 Ca -0.13 -0.34 0.00 0.00 0.02 0.00 0.00 55.36 54.91 2gjv s GLN 76 Cb 0.15 -3.03 0.54 0.00 1.00 0.00 0.00 33.01 31.67 2gjv s GLN 76 CO 0.72 0.51 1.81 -0.84 -2.12 0.00 0.00 175.29 175.37 2gjv h ILE 77 N 4.48 0.84 -0.48 1.08 3.07 -1.96 -1.73 117.51 122.82 2gjv h ILE 77 Ca -0.45 -0.29 0.09 0.00 1.55 0.00 0.00 64.86 65.77 2gjv h ILE 77 Cb 1.19 -0.07 -0.07 0.00 -0.27 0.00 0.00 36.82 37.60 2gjv h ILE 77 CO 0.62 0.15 0.03 -1.28 -1.05 0.00 0.00 178.15 176.62 2gjv h SER 78 N 0.84 -0.13 0.42 2.16 0.87 -1.97 -0.19 113.55 115.54 2gjv h SER 78 Ca 0.48 0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 61.02 2gjv h SER 78 Cb 0.56 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2gjv h SER 78 CO -0.30 -0.04 -0.53 0.44 -0.53 0.00 0.00 176.83 175.87 2gjv h ASP 79 N 0.15 0.14 -0.33 6.23 3.32 -1.75 -2.08 116.42 122.10 2gjv h ASP 79 Ca 0.24 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2gjv h ASP 79 Cb 0.35 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2gjv h ASP 79 CO -0.37 0.64 -0.04 0.00 -1.72 0.00 0.00 179.24 177.75 2gjv h ALA 80 N 1.36 0.45 -0.42 3.45 0.00 -0.70 -1.04 119.26 122.36 2gjv h ALA 80 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2gjv h ALA 80 Cb 0.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2gjv h ALA 80 CO 0.08 0.25 0.15 0.82 0.00 0.00 0.00 179.25 180.54 2gjv h ILE 81 N 0.39 1.21 -0.61 0.00 2.04 -0.99 -0.61 117.51 118.94 2gjv h ILE 81 Ca 0.09 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 2gjv h ILE 81 Cb 0.52 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2gjv h ILE 81 CO 0.03 0.24 0.37 0.78 0.00 0.00 0.00 178.15 179.56 2gjv h ASN 82 N 0.53 0.73 0.12 1.72 2.35 -1.30 -1.58 115.58 118.14 2gjv h ASN 82 Ca 0.14 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2gjv h ASN 82 Cb 0.22 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2gjv h ASN 82 CO -0.01 0.57 -0.29 0.00 -1.65 0.00 0.00 177.43 176.05 2gjv h ALA 83 N 1.19 1.23 -0.57 -0.83 0.00 -1.02 -2.29 119.26 116.97 2gjv h ALA 83 Ca 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2gjv h ALA 83 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gjv h ALA 83 CO -0.04 0.51 0.18 1.25 0.00 0.00 0.00 179.25 181.16 2gjv h LEU 84 N 0.25 0.82 -0.98 0.00 5.85 -0.69 -1.17 115.31 119.39 2gjv h LEU 84 Ca 0.04 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2gjv h LEU 84 Cb 0.65 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2gjv h LEU 84 CO 0.05 0.80 0.65 0.44 -0.34 0.00 0.00 178.44 180.04 2gjv h ASP 85 N 0.79 1.10 -0.39 1.25 5.19 -0.86 -2.41 116.42 121.09 2gjv h ASP 85 Ca 0.18 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.50 2gjv h ASP 85 Cb 0.27 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 2gjv h ASP 85 CO -0.01 0.77 -0.00 0.03 -3.12 0.00 0.00 179.24 176.92 2gjv h ARG 86 N 1.29 0.78 -0.55 3.56 3.08 -0.88 -2.55 114.38 119.11 2gjv h ARG 86 Ca 0.38 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2gjv h ARG 86 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2gjv h ARG 86 CO -0.10 0.79 0.13 -0.07 -1.07 0.00 0.00 179.97 179.65 2gjv h LEU 87 N 0.73 0.83 0.56 3.04 3.38 -0.78 -0.57 115.31 122.50 2gjv h LEU 87 Ca 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2gjv h LEU 87 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2gjv h LEU 87 CO 0.02 0.85 -0.43 0.03 0.09 0.00 0.00 178.44 179.00 2gjv h ARG 88 N 0.77 -0.93 -0.87 1.13 3.08 -1.30 -0.32 114.38 115.94 2gjv h ARG 88 Ca 0.17 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.40 2gjv h ARG 88 Cb 0.34 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 2gjv h ARG 88 CO 0.00 -0.62 0.56 -0.09 -1.07 0.00 0.00 179.97 178.76 2gjv h ARG 89 N -0.96 0.74 -0.02 0.04 9.65 -1.43 0.81 114.38 123.20 2gjv h ARG 89 Ca -0.06 -0.04 -0.22 0.00 -1.10 0.00 0.00 59.98 58.55 2gjv h ARG 89 Cb 0.81 -0.17 0.02 0.00 -1.39 0.00 0.00 29.97 29.24 2gjv h ARG 89 CO 0.01 0.49 -0.85 0.77 2.80 0.00 0.00 179.97 183.19 2gjv h SER 90 N 0.76 0.79 0.00 -3.80 0.02 -0.84 -3.40 113.55 107.07 2gjv h SER 90 Ca 0.42 -0.73 -0.35 0.00 -0.84 0.00 0.00 61.79 60.29 2gjv h SER 90 Cb 0.56 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 2gjv h SER 90 CO -0.18 1.41 -2.32 0.18 -1.14 0.00 0.00 176.83 174.77 2gjv n LEU 91 N -4.00 0.18 -4.70 5.07 4.77 -0.15 -4.87 117.00 113.30 2gjv n LEU 91 Ca -0.10 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 2gjv n LEU 91 Cb 0.79 0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 42.24 2gjv n LEU 91 CO 0.52 0.50 1.31 0.61 -1.33 0.00 0.00 177.39 179.00 2gjv n GLY 92 N 1.84 1.39 2.16 -0.72 0.00 0.25 -2.56 105.19 107.55 2gjv n GLY 92 Ca -0.32 0.62 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 3.69 0.43 3.85 -0.02 0.00 -0.41 -4.96 105.19 107.76 2gjv n GLY 93 Ca 0.16 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.85 4.57 0.11 -0.61 -4.36 -1.06 -4.54 121.20 113.46 2gjv s ILE 94 Ca 0.00 1.08 -0.26 0.00 -0.26 0.00 0.00 60.65 61.21 2gjv s ILE 94 Cb 0.00 -3.76 -0.07 0.00 1.25 0.00 0.00 42.46 39.89 2gjv s ILE 94 CO 0.00 -0.85 0.80 -1.61 0.24 0.00 0.00 174.94 173.52 2gjv s GLU 95 N -4.47 4.56 0.01 0.37 8.01 -1.26 0.27 118.70 126.19 2gjv s GLU 95 Ca 0.58 1.16 0.07 0.00 0.01 0.00 0.00 54.97 56.79 2gjv s GLU 95 Cb -0.11 -3.32 -0.02 0.00 -4.31 0.00 0.00 34.13 26.37 2gjv s GLU 95 CO 0.40 0.40 -0.21 -0.51 0.01 0.00 0.00 175.26 175.35 2gjv s LEU 96 N -0.54 2.10 0.16 1.80 1.43 -1.26 -4.93 118.68 117.45 2gjv s LEU 96 Ca 0.38 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 2gjv s LEU 96 Cb -0.22 -1.06 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 2gjv s LEU 96 CO 0.25 0.22 1.52 -2.16 0.23 0.00 0.00 176.35 176.41 2gjv s PRO 97 N -0.84 4.24 -1.75 1.29 0.04 -1.26 -2.89 135.00 133.82 2gjv s PRO 97 Ca 0.08 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2gjv s PRO 97 Cb -0.09 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2gjv s PRO 97 CO 0.00 -0.56 0.00 -0.25 0.04 0.00 0.00 177.00 176.24 2gjv n ASP 98 N 3.80 -5.24 -4.78 6.66 8.00 -1.26 -4.77 116.55 118.96 2gjv n ASP 98 Ca 0.13 0.23 -0.31 0.00 0.71 0.00 0.00 54.79 55.54 2gjv n ASP 98 Cb 0.39 -4.33 -0.07 0.00 -0.02 0.00 0.00 41.12 37.10 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 0.65 1.93 -3.60 0.00 5.68 0.31 -4.91 116.55 116.62 2gjv n ASP 100 Ca -0.10 -1.93 -0.07 0.00 -0.50 0.00 0.00 54.79 52.19 2gjv n ASP 100 Cb 0.52 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 2gjv n ASP 100 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gjv s ARG 101 N -1.57 1.06 0.99 0.11 1.70 -1.26 -5.06 118.95 114.93 2gjv s ARG 101 Ca 0.27 -0.49 -0.12 0.00 -0.47 0.00 0.00 55.73 54.92 2gjv s ARG 101 Cb 0.14 0.43 0.19 0.00 -0.57 0.00 0.00 34.95 35.13 2gjv s ARG 101 CO 0.19 -0.48 1.08 -2.14 -1.08 0.00 0.00 175.30 172.88 2gjv s PRO 102 N -3.30 0.46 0.24 3.89 0.02 -1.26 -4.66 135.00 130.39 2gjv s PRO 102 Ca 0.07 0.94 -0.30 0.00 0.02 0.00 0.00 61.00 61.74 2gjv s PRO 102 Cb -0.01 -1.71 -0.10 0.00 0.02 0.00 0.00 34.50 32.70 2gjv s PRO 102 CO -0.05 -2.82 1.48 -1.17 -0.33 0.00 0.00 177.00 174.11 2gjv s LEU 103 N -6.63 4.38 0.07 -5.54 2.96 0.14 -4.82 118.68 109.24 2gjv s LEU 103 Ca 0.66 2.69 0.08 0.00 -0.22 0.00 0.00 54.13 57.34 2gjv s LEU 103 Cb -0.21 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.82 2gjv s LEU 103 CO 0.60 -0.75 -0.19 0.26 -1.32 0.00 0.00 176.35 174.95 2gjv s TRP 104 N 0.18 2.53 0.32 5.38 0.51 -0.47 -1.29 118.94 126.09 2gjv s TRP 104 Ca 0.62 -0.27 -0.20 0.00 -2.12 0.00 0.00 56.10 54.12 2gjv s TRP 104 Cb -0.43 -1.41 -0.09 0.00 -0.81 0.00 0.00 33.47 30.72 2gjv s TRP 104 CO 0.42 0.29 0.83 -0.51 -0.51 0.00 0.00 176.95 177.47 2gjv s LEU 105 N -1.67 4.19 0.03 2.99 1.43 -1.26 -0.57 118.68 123.81 2gjv s LEU 105 Ca 0.15 1.55 -0.00 0.00 -1.03 0.00 0.00 54.13 54.80 2gjv s LEU 105 Cb -0.10 -4.02 -0.00 0.00 0.03 0.00 0.00 46.19 42.10 2gjv s LEU 105 CO 0.07 -0.13 -0.00 1.21 0.23 0.00 0.00 176.35 177.72 2gjv n GLU 106 N 0.13 0.00 -3.54 1.70 2.13 -0.54 -4.79 120.64 115.73 2gjv n GLU 106 Ca 0.02 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.76 2gjv n GLU 106 Cb 0.52 -0.51 -0.02 0.00 0.27 0.00 0.00 31.44 31.70 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 -5.31 -0.36 -0.00 4.31 1.04 -1.12 -5.02 113.70 107.24 2gjv s SER 107 Ca -0.00 -0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.42 2gjv s SER 107 Cb 0.00 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 2gjv s SER 107 CO 0.00 -0.72 -0.19 -1.61 0.98 0.00 0.00 173.24 171.71 2gjv s GLU 108 N -3.23 1.47 -0.10 4.02 2.02 -1.26 -0.74 118.70 120.88 2gjv s GLU 108 Ca 0.06 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 2gjv s GLU 108 Cb -0.01 -1.46 0.03 0.00 0.10 0.00 0.00 34.13 32.79 2gjv s GLU 108 CO -0.08 0.39 0.33 -1.59 0.02 0.00 0.00 175.26 174.34 2gjv s LYS 109 N -0.62 0.45 0.08 1.61 -2.85 -0.74 -4.99 119.74 112.67 2gjv s LYS 109 Ca 0.07 0.33 -0.31 0.00 -1.00 0.00 0.00 55.97 55.07 2gjv s LYS 109 Cb -0.08 0.21 -0.07 0.00 -2.06 0.00 0.00 37.83 35.83 2gjv s LYS 109 CO -0.00 -0.07 1.42 -0.47 0.10 0.00 0.00 175.35 176.33 2gjv s TYR 110 N -0.13 3.04 -0.03 1.78 5.04 -1.26 -1.17 117.35 124.62 2gjv s TYR 110 Ca -0.03 0.85 0.17 0.00 -2.44 0.00 0.00 57.07 55.62 2gjv s TYR 110 Cb -0.03 -3.71 -0.26 0.00 0.35 0.00 0.00 41.96 38.31 2gjv s TYR 110 CO 0.01 -2.56 0.37 -0.89 -1.34 0.00 0.00 175.55 171.14 2gjv n ILE 111 N 4.25 0.03 -0.37 3.14 5.41 0.26 -4.94 119.36 127.13 2gjv n ILE 111 Ca 0.12 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.48 2gjv n ILE 111 Cb 0.42 0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 2gjv n ILE 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gjv n GLY 112 N 1.54 0.79 2.69 7.39 0.00 -1.18 -4.97 105.19 111.44 2gjv n GLY 112 Ca -0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 2.64 1.18 -4.77 1.61 4.64 -1.26 -0.97 116.55 119.63 2gjv n ASP 113 Ca 0.00 -2.04 -0.41 0.00 -1.38 0.00 0.00 54.79 50.96 2gjv n ASP 113 Cb 0.00 -0.34 -0.01 0.00 -1.04 0.00 0.00 41.12 39.73 2gjv n ASP 113 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2gjv s ALA 114 N -3.03 3.53 -1.88 -1.67 0.00 -1.23 -2.17 121.76 115.30 2gjv s ALA 114 Ca 0.25 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2gjv s ALA 114 Cb 0.34 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2gjv s ALA 114 CO -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 175.76 174.84 2gjv n ALA 115 N 0.60 -0.40 -3.32 0.00 0.00 -1.26 -2.16 120.51 113.98 2gjv n ALA 115 Ca 0.01 0.26 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 2gjv n ALA 115 Cb 0.41 -1.92 0.06 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.38 -5.25 -3.97 0.00 3.02 -0.92 -5.03 115.26 101.73 2gjv n ASN 116 Ca -0.20 -0.40 -0.29 0.00 -0.03 0.00 0.00 54.58 53.66 2gjv n ASN 116 Cb 0.63 -3.88 -0.17 0.00 -0.61 0.00 0.00 39.78 35.75 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 -3.24 1.86 0.34 3.10 0.40 -0.92 -4.51 117.98 115.01 2gjv s PHE 117 Ca 0.43 -1.00 -0.28 0.00 -0.60 0.00 0.00 56.93 55.49 2gjv s PHE 117 Cb -0.19 -1.43 -0.09 0.00 0.51 0.00 0.00 43.02 41.81 2gjv s PHE 117 CO 0.54 -0.60 1.19 0.00 0.70 0.00 0.00 175.22 177.06 2gjv s ARG 119 N -1.89 0.93 -0.03 0.00 0.52 -0.14 -1.62 118.95 116.72 2gjv s ARG 119 Ca 0.51 -0.13 0.05 0.00 -0.52 0.00 0.00 55.73 55.64 2gjv s ARG 119 Cb -0.34 -1.42 -0.01 0.00 0.52 0.00 0.00 34.95 33.70 2gjv s ARG 119 CO 0.44 -0.36 -0.19 0.71 0.02 0.00 0.00 175.30 175.91 2gjv s TYR 120 N 1.85 1.82 0.02 -0.53 1.51 -0.97 0.89 117.35 121.94 2gjv s TYR 120 Ca 0.04 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 2gjv s TYR 120 Cb -0.13 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2gjv s TYR 120 CO -0.07 -0.11 -0.06 0.00 -1.11 0.00 0.00 175.55 174.20 2gjv s ALA 121 N -0.22 3.04 -0.25 3.71 0.00 -0.32 -0.54 121.76 127.18 2gjv s ALA 121 Ca 0.02 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2gjv s ALA 121 Cb -0.10 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2gjv s ALA 121 CO 0.01 0.62 -0.03 -1.17 0.00 0.00 0.00 175.76 175.19 2gjv s LEU 122 N -1.54 3.25 -0.06 0.00 2.96 -0.06 -1.79 118.68 121.44 2gjv s LEU 122 Ca 0.18 -0.76 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 2gjv s LEU 122 Cb -0.11 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2gjv s LEU 122 CO 0.09 -0.12 0.37 -1.81 -1.32 0.00 0.00 176.35 173.56 2gjv s ASP 123 N 1.38 6.68 0.12 3.68 1.11 0.08 -0.79 116.67 128.94 2gjv s ASP 123 Ca 0.02 0.81 0.02 0.00 0.18 0.00 0.00 52.55 53.57 2gjv s ASP 123 Cb -0.16 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.56 2gjv s ASP 123 CO -0.03 0.24 -0.04 -0.04 1.18 0.00 0.00 175.17 176.48 2gjv s MET 124 N -0.54 0.92 0.00 8.23 -1.94 0.21 -1.46 119.30 124.72 2gjv s MET 124 Ca 0.22 -1.40 0.04 0.00 -1.71 0.00 0.00 55.69 52.84 2gjv s MET 124 Cb -0.15 -0.19 -0.01 0.00 2.01 0.00 0.00 34.83 36.48 2gjv s MET 124 CO 0.10 -0.07 -0.13 0.95 -0.01 0.00 0.00 175.02 175.87 2gjv s THR 125 N -3.66 1.02 0.36 2.05 -4.23 0.26 -1.28 115.64 110.16 2gjv s THR 125 Ca 0.16 -0.65 0.08 0.00 -1.18 0.00 0.00 61.69 60.11 2gjv s THR 125 Cb 0.06 -0.87 -0.05 0.00 1.34 0.00 0.00 72.50 72.97 2gjv s THR 125 CO -0.02 0.22 0.07 0.00 -0.54 0.00 0.00 174.62 174.35 2gjv s ALA 126 N -0.43 3.32 -0.06 3.99 0.00 -0.33 -1.37 121.76 126.88 2gjv s ALA 126 Ca 0.04 -2.02 -0.04 0.00 0.00 0.00 0.00 51.96 49.94 2gjv s ALA 126 Cb -0.06 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2gjv s ALA 126 CO -0.00 -0.01 0.14 0.45 0.00 0.00 0.00 175.76 176.34 2gjv s SER 127 N -3.77 -0.14 0.25 0.00 0.15 -1.26 -1.08 113.70 107.84 2gjv s SER 127 Ca 0.37 0.29 -0.13 0.00 0.70 0.00 0.00 55.95 57.17 2gjv s SER 127 Cb 0.02 0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2gjv s SER 127 CO 0.20 -0.08 0.48 0.28 1.20 0.00 0.00 173.24 175.33 2gjv s THR 128 N 0.38 0.00 -0.32 6.45 -1.32 -0.62 -0.53 115.64 119.68 2gjv s THR 128 Ca -0.03 -1.40 -0.07 0.00 -1.21 0.00 0.00 61.69 58.99 2gjv s THR 128 Cb -0.04 -2.20 0.03 0.00 -1.51 0.00 0.00 72.50 68.77 2gjv s THR 128 CO -0.02 0.00 0.09 -0.22 -2.21 0.00 0.00 174.62 172.27 2gjv s LEU 129 N -3.02 4.09 -0.04 9.08 2.96 -1.26 -0.31 118.68 130.19 2gjv s LEU 129 Ca 0.22 -0.94 -0.29 0.00 -0.22 0.00 0.00 54.13 52.90 2gjv s LEU 129 Cb -0.01 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2gjv s LEU 129 CO 0.09 -0.26 0.94 0.12 -1.32 0.00 0.00 176.35 175.92 2gjv s PHE 130 N 1.45 3.61 -0.21 5.38 5.36 0.59 -4.91 117.98 129.24 2gjv s PHE 130 Ca 0.00 1.60 0.02 0.00 -0.96 0.00 0.00 56.93 57.59 2gjv s PHE 130 Cb -0.18 -3.09 0.04 0.00 -0.34 0.00 0.00 43.02 39.45 2gjv s PHE 130 CO 0.03 -0.05 -0.13 0.42 -1.46 0.00 0.00 175.22 174.02 2gjv s ILE 131 N 1.24 1.93 0.38 3.12 1.01 -1.26 -0.73 121.20 126.88 2gjv s ILE 131 Ca 0.49 -1.20 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 2gjv s ILE 131 Cb -0.20 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.24 2gjv s ILE 131 CO 0.24 0.21 1.25 0.00 0.00 0.00 0.00 174.94 176.63 2gjv s ALA 132 N 1.27 3.29 0.31 9.38 0.00 -0.74 -4.99 121.76 130.27 2gjv s ALA 132 Ca -0.02 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 2gjv s ALA 132 Cb -0.17 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 2gjv s ALA 132 CO -0.08 -0.64 1.33 -1.21 0.00 0.00 0.00 175.76 175.15 2gjv s GLU 133 N -2.10 4.35 0.00 0.00 0.41 -1.26 -4.90 118.70 115.20 2gjv s GLU 133 Ca 0.54 2.21 0.27 0.00 -0.41 0.00 0.00 54.97 57.58 2gjv s GLU 133 Cb -0.36 -3.09 0.82 0.00 -1.78 0.00 0.00 34.13 29.73 2gjv s GLU 133 CO 0.46 -0.23 1.62 1.04 -0.49 0.00 0.00 175.26 177.66