#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvi n MET 2 N 0.00 -2.31 -0.48 0.03 2.00 -1.26 -4.93 117.12 110.17 2jvi n MET 2 Ca 0.00 1.82 0.00 0.00 0.00 0.00 0.00 57.70 59.52 2jvi n MET 2 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 33.22 30.49 2jvi n MET 2 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2jvi n ASN 3 N -3.73 0.00 -1.97 7.83 5.15 -1.26 -5.10 115.26 116.18 2jvi n ASN 3 Ca -0.05 -1.51 -0.02 0.00 -0.60 0.00 0.00 54.58 52.40 2jvi n ASN 3 Cb 0.48 -0.10 -0.02 0.00 -0.53 0.00 0.00 39.78 39.61 2jvi n ASN 3 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2jvi n GLU 4 N 0.00 -2.46 -4.25 1.20 4.07 -1.26 -4.51 120.64 113.43 2jvi n GLU 4 Ca 0.00 2.07 -0.17 0.00 -0.06 0.00 0.00 57.16 59.00 2jvi n GLU 4 Cb 0.60 -3.00 -0.14 0.00 -0.06 0.00 0.00 31.44 28.84 2jvi n GLU 4 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2jvi s LYS 5 N -0.94 0.57 0.06 5.31 2.47 -1.26 0.59 119.74 126.54 2jvi s LYS 5 Ca -0.12 -0.28 0.01 0.00 -1.56 0.00 0.00 55.97 54.03 2jvi s LYS 5 Cb 0.01 -0.55 -0.03 0.00 -1.46 0.00 0.00 37.83 35.80 2jvi s LYS 5 CO 0.31 0.15 -0.06 0.42 0.16 0.00 0.00 175.35 176.33 2jvi s ILE 6 N -0.22 0.51 -0.10 5.43 1.01 0.74 -1.62 121.20 126.95 2jvi s ILE 6 Ca 0.02 -1.54 -0.01 0.00 0.00 0.00 0.00 60.65 59.12 2jvi s ILE 6 Cb -0.03 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.30 2jvi s ILE 6 CO -0.00 -0.70 -0.01 -0.22 0.00 0.00 0.00 174.94 174.00 2jvi s LEU 7 N -2.40 0.84 -0.45 2.97 0.20 -0.40 -0.21 118.68 119.23 2jvi s LEU 7 Ca 0.01 -0.26 -0.10 0.00 0.69 0.00 0.00 54.13 54.47 2jvi s LEU 7 Cb -0.01 -0.57 0.09 0.00 -0.43 0.00 0.00 46.19 45.28 2jvi s LEU 7 CO -0.04 -0.19 0.32 -0.63 -0.29 0.00 0.00 176.35 175.51 2jvi s ILE 8 N 1.89 4.37 -1.22 6.68 1.09 -0.84 0.12 121.20 133.29 2jvi s ILE 8 Ca 0.04 -1.50 -0.14 0.00 -1.10 0.00 0.00 60.65 57.95 2jvi s ILE 8 Cb -0.13 -3.75 0.17 0.00 -1.06 0.00 0.00 42.46 37.69 2jvi s ILE 8 CO -0.06 -0.63 1.45 0.52 -0.10 0.00 0.00 174.94 176.12 2jvi n VAL 9 N 4.96 4.25 -4.56 2.92 0.31 0.25 0.44 118.33 126.90 2jvi n VAL 9 Ca -0.10 -4.71 -0.21 0.00 -0.01 0.00 0.00 64.34 59.31 2jvi n VAL 9 Cb 0.42 -2.46 -0.15 0.00 -0.91 0.00 0.00 33.84 30.74 2jvi n VAL 9 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jvi s ASP 10 N 2.85 1.55 -0.14 4.52 2.15 0.17 0.26 116.67 128.03 2jvi s ASP 10 Ca 0.43 -0.27 0.10 0.00 0.43 0.00 0.00 52.55 53.24 2jvi s ASP 10 Cb -0.03 -0.16 -0.23 0.00 -0.30 0.00 0.00 42.92 42.20 2jvi s ASP 10 CO 0.00 0.14 0.30 -0.67 -0.17 0.00 0.00 175.17 174.78 2jvi n ASP 11 N 2.63 0.93 -3.76 -0.34 2.03 -1.26 -3.70 116.55 113.09 2jvi n ASP 11 Ca -0.15 0.17 -0.42 0.00 0.52 0.00 0.00 54.79 54.91 2jvi n ASP 11 Cb 0.55 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2jvi n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jvi n GLN 12 N -3.04 2.97 0.20 -0.67 10.64 -1.26 -4.78 117.38 121.44 2jvi n GLN 12 Ca -0.29 -2.74 0.06 0.00 -1.83 0.00 0.00 57.00 52.20 2jvi n GLN 12 Cb 1.08 -3.24 0.30 0.00 -0.86 0.00 0.00 30.24 27.52 2jvi n GLN 12 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.06 175.33 2jvi h TYR 13 N 5.97 0.00 0.13 2.61 -0.00 -1.99 -0.51 116.97 123.18 2jvi h TYR 13 Ca 0.54 0.00 0.01 0.00 0.00 0.00 0.00 58.73 59.28 2jvi h TYR 13 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.33 2jvi h TYR 13 CO 1.43 0.00 -0.45 0.78 -0.00 0.00 0.00 178.16 179.92 2jvi h GLY 14 N 0.00 -1.18 1.02 0.10 0.00 -1.94 0.90 103.07 101.97 2jvi h GLY 14 Ca 0.00 0.62 0.14 0.00 0.00 0.00 0.00 47.33 48.09 2jvi h GLY 14 CO 0.00 -0.30 0.36 -2.22 0.00 0.00 0.00 176.54 174.37 2jvi h ILE 15 N -0.66 0.70 0.01 2.60 2.04 -1.50 -0.06 117.51 120.64 2jvi h ILE 15 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2jvi h ILE 15 Cb 0.65 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2jvi h ILE 15 CO -0.22 0.00 -0.16 -0.09 0.00 0.00 0.00 178.15 177.67 2jvi h ARG 16 N 0.00 0.09 0.00 2.37 2.43 -1.37 0.19 114.38 118.08 2jvi h ARG 16 Ca 0.23 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 2jvi h ARG 16 Cb 0.94 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2jvi h ARG 16 CO -0.00 0.95 -0.40 -0.84 -1.51 0.00 0.00 179.97 178.17 2jvi h ILE 17 N -0.72 0.79 0.33 1.20 3.07 -0.68 0.38 117.51 121.87 2jvi h ILE 17 Ca -0.02 -1.75 -0.02 0.00 1.55 0.00 0.00 64.86 64.62 2jvi h ILE 17 Cb 1.02 2.12 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 2jvi h ILE 17 CO 0.03 0.39 -0.19 0.25 -1.05 0.00 0.00 178.15 177.59 2jvi h LEU 18 N 0.00 -0.46 -0.75 0.16 5.85 -0.92 0.16 115.31 119.35 2jvi h LEU 18 Ca -0.00 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2jvi h LEU 18 Cb 1.09 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 2jvi h LEU 18 CO 0.05 -0.29 0.37 -0.07 -0.34 0.00 0.00 178.44 178.16 2jvi h LEU 19 N -0.48 0.46 0.02 2.25 3.38 -0.60 0.08 115.31 120.42 2jvi h LEU 19 Ca -0.04 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jvi h LEU 19 Cb 0.37 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jvi h LEU 19 CO 0.06 0.24 -0.21 -1.13 0.09 0.00 0.00 178.44 177.49 2jvi h ASN 20 N 0.60 -0.64 -0.99 -0.43 -1.24 -0.17 -1.05 115.58 111.64 2jvi h ASN 20 Ca 0.38 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.47 2jvi h ASN 20 Cb 0.45 0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.69 2jvi h ASN 20 CO -0.30 -0.21 0.66 -0.08 -1.29 0.00 0.00 177.43 176.21 2jvi h GLU 21 N -0.28 1.30 0.50 6.67 4.22 -0.48 0.18 114.58 126.68 2jvi h GLU 21 Ca 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 2jvi h GLU 21 Cb 0.29 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2jvi h GLU 21 CO -0.13 0.86 -0.51 0.28 -2.18 0.00 0.00 179.01 177.33 2jvi h VAL 22 N 1.34 0.00 -0.31 0.32 2.07 -0.55 0.85 116.25 119.95 2jvi h VAL 22 Ca 0.37 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.71 2jvi h VAL 22 Cb -0.13 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.63 2jvi h VAL 22 CO -0.09 0.00 -0.51 -0.26 0.02 0.00 0.00 177.57 176.73 2jvi h PHE 23 N -1.01 1.12 -0.22 1.57 0.04 -1.09 -2.95 116.94 114.40 2jvi h PHE 23 Ca -0.06 -0.39 0.06 0.00 2.80 0.00 0.00 57.97 60.38 2jvi h PHE 23 Cb 0.88 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.75 2jvi h PHE 23 CO -0.26 1.22 -0.21 -0.97 -0.60 0.00 0.00 178.31 177.49 2jvi h ASN 24 N 0.70 -0.68 -0.66 2.17 -0.73 -0.45 0.25 115.58 116.19 2jvi h ASN 24 Ca 0.02 0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 2jvi h ASN 24 Cb 1.12 0.32 -0.03 0.00 0.27 0.00 0.00 38.32 40.00 2jvi h ASN 24 CO 0.12 -0.25 0.40 0.50 -0.37 0.00 0.00 177.43 177.82 2jvi h LYS 25 N -0.23 0.89 -0.35 6.67 3.11 -0.84 -1.40 116.57 124.43 2jvi h LYS 25 Ca 0.13 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2jvi h LYS 25 Cb 0.42 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.47 2jvi h LYS 25 CO -0.35 0.64 0.00 -0.85 -2.81 0.00 0.00 179.45 176.07 2jvi n GLU 26 N -4.58 1.23 0.00 1.90 0.28 -0.70 -4.73 120.64 114.04 2jvi n GLU 26 Ca 0.05 -0.27 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 2jvi n GLU 26 Cb 0.06 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 31.71 2jvi n GLU 26 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jvi n GLY 27 N 0.44 1.27 3.81 -1.84 0.00 -0.65 0.09 105.19 108.32 2jvi n GLY 27 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2jvi n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jvi s TYR 28 N -0.22 3.18 -1.08 1.61 2.02 0.79 -4.74 117.35 118.91 2jvi s TYR 28 Ca 0.00 1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 58.18 2jvi s TYR 28 Cb 0.00 -2.94 0.25 0.00 -0.40 0.00 0.00 41.96 38.86 2jvi s TYR 28 CO 0.00 -0.44 1.11 -0.65 -1.57 0.00 0.00 175.55 174.00 2jvi s GLN 29 N -3.25 4.07 -0.00 -0.62 -0.21 0.20 -3.91 119.66 115.94 2jvi s GLN 29 Ca 0.64 -2.95 -0.16 0.00 0.02 0.00 0.00 55.36 52.91 2jvi s GLN 29 Cb -0.12 -4.63 -0.06 0.00 1.00 0.00 0.00 33.01 29.20 2jvi s GLN 29 CO 0.17 -1.35 0.44 0.95 -2.12 0.00 0.00 175.29 173.38 2jvi s THR 30 N -0.45 5.00 -0.25 -0.19 -4.23 -1.25 -0.19 115.64 114.09 2jvi s THR 30 Ca 0.31 0.91 -0.00 0.00 -1.18 0.00 0.00 61.69 61.72 2jvi s THR 30 Cb -0.09 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.07 2jvi s THR 30 CO -0.07 0.54 0.00 -0.36 -0.54 0.00 0.00 174.62 174.19 2jvi s PHE 31 N -0.85 2.04 0.05 3.99 0.40 0.71 -4.90 117.98 119.41 2jvi s PHE 31 Ca 0.25 -1.62 -0.31 0.00 -0.60 0.00 0.00 56.93 54.65 2jvi s PHE 31 Cb -0.17 -1.56 -0.10 0.00 0.51 0.00 0.00 43.02 41.70 2jvi s PHE 31 CO 0.14 -0.77 1.94 0.00 0.70 0.00 0.00 175.22 177.23 2jvi n GLN 32 N 4.76 2.81 -4.84 0.44 10.64 -1.26 -1.99 117.38 127.95 2jvi n GLN 32 Ca -0.08 1.03 -0.28 0.00 -1.83 0.00 0.00 57.00 55.84 2jvi n GLN 32 Cb 0.44 -2.97 -0.17 0.00 -0.86 0.00 0.00 30.24 26.69 2jvi n GLN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jvi s ALA 33 N 4.08 1.66 -1.05 2.61 0.00 0.17 -4.89 121.76 124.33 2jvi s ALA 33 Ca 0.88 -0.66 0.25 0.00 0.00 0.00 0.00 51.96 52.43 2jvi s ALA 33 Cb -0.46 -0.68 0.49 0.00 0.00 0.00 0.00 23.12 22.47 2jvi s ALA 33 CO 0.42 0.17 1.41 0.00 0.00 0.00 0.00 175.76 177.76 2jvi n ALA 34 N 3.72 3.56 -2.76 0.00 0.00 -1.24 0.45 120.51 124.24 2jvi n ALA 34 Ca -0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 52.77 2jvi n ALA 34 Cb 0.52 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 2jvi n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jvi s ASN 35 N -2.97 0.02 0.51 0.00 4.22 -1.26 -3.98 114.94 111.48 2jvi s ASN 35 Ca 0.12 -0.80 0.30 0.00 -2.14 0.00 0.00 52.86 50.34 2jvi s ASN 35 Cb 0.18 0.44 1.27 0.00 1.28 0.00 0.00 41.25 44.41 2jvi s ASN 35 CO 0.69 -0.89 1.96 1.23 -2.04 0.00 0.00 177.10 178.05 2jvi h GLY 36 N 2.53 0.00 0.99 0.45 0.00 -1.92 0.57 103.07 105.69 2jvi h GLY 36 Ca -0.32 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.72 2jvi h GLY 36 CO 0.48 0.00 -1.34 1.41 0.00 0.00 0.00 176.54 177.09 2jvi h LEU 37 N 0.00 0.68 -1.01 3.11 -0.00 -1.98 0.11 115.31 116.21 2jvi h LEU 37 Ca -0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 56.95 2jvi h LEU 37 Cb 0.55 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.94 2jvi h LEU 37 CO 0.01 1.63 0.59 -0.61 -0.00 0.00 0.00 178.44 180.07 2jvi h GLN 38 N -0.04 1.27 -0.35 1.13 5.75 -1.88 0.54 115.11 121.53 2jvi h GLN 38 Ca -0.25 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 2jvi h GLN 38 Cb 1.98 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 30.24 2jvi h GLN 38 CO 0.21 0.87 0.23 0.00 -2.65 0.00 0.00 178.83 177.49 2jvi h ALA 39 N 1.36 0.44 -0.36 3.38 0.00 0.31 0.65 119.26 125.05 2jvi h ALA 39 Ca 0.34 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.28 2jvi h ALA 39 Cb -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2jvi h ALA 39 CO -0.07 -0.10 0.10 1.25 0.00 0.00 0.00 179.25 180.43 2jvi h LEU 40 N 0.47 0.08 -1.11 0.00 7.12 -0.11 -1.01 115.31 120.75 2jvi h LEU 40 Ca 0.13 0.05 -0.05 0.00 0.13 0.00 0.00 57.88 58.14 2jvi h LEU 40 Cb -0.05 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 2jvi h LEU 40 CO -0.03 0.08 0.08 -0.78 -0.13 0.00 0.00 178.44 177.66 2jvi h ASP 41 N 0.24 0.66 -0.04 1.25 3.58 0.01 0.26 116.42 122.38 2jvi h ASP 41 Ca 0.16 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2jvi h ASP 41 Cb 0.16 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 2jvi h ASP 41 CO -0.19 0.68 0.00 0.40 -2.88 0.00 0.00 179.24 177.26 2jvi h ILE 42 N 0.68 1.22 -0.71 2.25 1.08 0.99 0.25 117.51 123.27 2jvi h ILE 42 Ca 0.15 -0.67 0.03 0.00 -0.39 0.00 0.00 64.86 63.98 2jvi h ILE 42 Cb 0.31 1.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 2jvi h ILE 42 CO 0.00 0.18 0.45 0.58 -0.69 0.00 0.00 178.15 178.67 2jvi h VAL 43 N -0.20 1.10 -0.26 1.67 2.07 -1.04 0.41 116.25 120.00 2jvi h VAL 43 Ca 0.01 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2jvi h VAL 43 Cb 0.28 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2jvi h VAL 43 CO 0.00 0.16 0.18 0.74 0.02 0.00 0.00 177.57 178.67 2jvi h THR 44 N 0.88 0.93 0.00 2.57 2.02 -0.59 0.68 112.91 119.40 2jvi h THR 44 Ca 0.29 -0.04 -0.24 0.00 0.77 0.00 0.00 66.41 67.19 2jvi h THR 44 Cb 0.01 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 2jvi h THR 44 CO -0.11 0.02 -1.31 1.17 0.37 0.00 0.00 175.52 175.66 2jvi n LYS 45 N -4.48 0.56 -0.08 6.66 3.00 0.84 -4.71 118.16 119.95 2jvi n LYS 45 Ca 0.03 0.56 -0.10 0.00 -0.00 0.00 0.00 58.31 58.79 2jvi n LYS 45 Cb 0.26 -1.73 -0.09 0.00 0.00 0.00 0.00 35.03 33.47 2jvi n LYS 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2jvi n GLU 46 N -4.43 0.96 -2.91 1.64 -0.58 0.13 -5.05 120.64 110.39 2jvi n GLU 46 Ca -0.33 0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.41 2jvi n GLU 46 Cb 0.68 -1.36 0.03 0.00 -0.57 0.00 0.00 31.44 30.21 2jvi n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jvi n ARG 47 N -2.82 -1.52 -0.61 3.49 1.74 0.24 -5.01 116.66 112.16 2jvi n ARG 47 Ca -0.28 1.05 -0.30 0.00 -0.77 0.00 0.00 57.85 57.55 2jvi n ARG 47 Cb 0.89 -5.17 0.20 0.00 -1.02 0.00 0.00 32.46 27.36 2jvi n ARG 47 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2jvi s PRO 48 N -3.59 0.22 -0.19 5.56 0.02 -1.26 -4.97 135.00 130.79 2jvi s PRO 48 Ca 0.20 1.30 -0.11 0.00 0.02 0.00 0.00 61.00 62.40 2jvi s PRO 48 Cb -0.03 -1.65 -0.21 0.00 0.02 0.00 0.00 34.50 32.63 2jvi s PRO 48 CO 0.64 -3.09 0.15 -0.25 -0.33 0.00 0.00 177.00 174.11 2jvi n ASP 49 N -4.53 2.00 -4.32 2.53 9.92 -0.64 -4.68 116.55 116.84 2jvi n ASP 49 Ca 0.08 0.25 -0.39 0.00 -0.53 0.00 0.00 54.79 54.21 2jvi n ASP 49 Cb 0.53 -0.83 -0.12 0.00 -0.64 0.00 0.00 41.12 40.05 2jvi n ASP 49 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2jvi s LEU 50 N -7.30 4.46 -0.36 0.64 1.02 -1.08 0.11 118.68 116.16 2jvi s LEU 50 Ca -0.28 -1.05 -0.06 0.00 0.02 0.00 0.00 54.13 52.76 2jvi s LEU 50 Cb 0.08 -1.94 0.06 0.00 0.02 0.00 0.00 46.19 44.41 2jvi s LEU 50 CO 0.66 -0.34 0.14 -0.69 0.02 0.00 0.00 176.35 176.13 2jvi s VAL 51 N 1.47 3.70 -0.84 -1.59 1.01 -0.45 -1.27 120.40 122.43 2jvi s VAL 51 Ca 0.00 -1.36 -0.25 0.00 0.00 0.00 0.00 61.98 60.36 2jvi s VAL 51 Cb -0.19 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.02 2jvi s VAL 51 CO 0.04 -0.32 1.43 -0.76 0.00 0.00 0.00 175.10 175.50 2jvi s LEU 52 N 1.35 3.29 -0.89 3.92 1.02 0.32 0.87 118.68 128.56 2jvi s LEU 52 Ca 0.00 -0.74 -0.21 0.00 0.02 0.00 0.00 54.13 53.20 2jvi s LEU 52 Cb -0.21 -2.56 0.09 0.00 0.02 0.00 0.00 46.19 43.53 2jvi s LEU 52 CO 0.01 -1.83 1.20 -0.22 0.02 0.00 0.00 176.35 175.54 2jvi s LEU 53 N 6.02 4.31 -0.36 1.79 1.98 -0.97 0.87 118.68 132.32 2jvi s LEU 53 Ca 0.44 -1.53 -0.28 0.00 -2.89 0.00 0.00 54.13 49.87 2jvi s LEU 53 Cb -0.06 -2.47 -0.02 0.00 0.66 0.00 0.00 46.19 44.31 2jvi s LEU 53 CO 0.06 -1.33 1.78 -0.62 -1.89 0.00 0.00 176.35 174.35 2jvi s ASP 54 N 4.04 5.85 -0.11 3.68 2.15 0.14 0.17 116.67 132.59 2jvi s ASP 54 Ca 0.35 1.18 0.11 0.00 0.43 0.00 0.00 52.55 54.62 2jvi s ASP 54 Cb -0.06 -2.53 0.52 0.00 -0.30 0.00 0.00 42.92 40.56 2jvi s ASP 54 CO -0.04 -1.76 1.36 0.23 -0.17 0.00 0.00 175.17 174.79 2jvi n MET 55 N 8.48 3.20 0.04 4.34 2.81 0.36 -4.32 117.12 132.02 2jvi n MET 55 Ca 0.22 -2.04 -0.11 0.00 -1.81 0.00 0.00 57.70 53.97 2jvi n MET 55 Cb 0.47 -1.83 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 2jvi n MET 55 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2jvi h LYS 56 N 2.79 -0.32 0.00 0.03 1.79 -1.75 -3.45 116.57 115.66 2jvi h LYS 56 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jvi h LYS 56 Cb 1.25 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2jvi h LYS 56 CO 0.23 -0.21 0.00 1.51 -1.08 0.00 0.00 179.45 179.90 2jvi n ILE 57 N -5.35 0.00 -0.13 1.86 3.06 -1.26 -4.97 119.36 112.56 2jvi n ILE 57 Ca -0.04 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.20 2jvi n ILE 57 Cb 0.27 0.00 0.01 0.00 0.54 0.00 0.00 39.64 40.46 2jvi n ILE 57 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 2jvi n PRO 58 N 0.00 -0.08 0.13 9.51 -0.02 -1.26 -4.55 135.00 138.73 2jvi n PRO 58 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2jvi n PRO 58 Cb 0.00 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 2jvi n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jvi n GLY 59 N -1.16 -1.32 3.20 -1.23 0.00 -1.26 -4.86 105.19 98.56 2jvi n GLY 59 Ca 0.03 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 2jvi n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jvi s MET 60 N -2.00 0.98 0.38 1.61 -2.45 -1.26 -5.05 119.30 111.51 2jvi s MET 60 Ca 0.00 -1.35 -0.28 0.00 -1.25 0.00 0.00 55.69 52.81 2jvi s MET 60 Cb 0.00 0.28 -0.11 0.00 1.25 0.00 0.00 34.83 36.25 2jvi s MET 60 CO 0.00 -0.30 1.48 -0.51 1.05 0.00 0.00 175.02 176.74 2jvi s ASP 61 N -3.02 6.30 0.15 1.11 1.11 -1.26 -4.80 116.67 116.26 2jvi s ASP 61 Ca 0.22 3.05 0.15 0.00 0.18 0.00 0.00 52.55 56.14 2jvi s ASP 61 Cb 0.06 -2.67 0.70 0.00 1.07 0.00 0.00 42.92 42.09 2jvi s ASP 61 CO 0.01 -0.90 1.46 0.61 1.18 0.00 0.00 175.17 177.53 2jvi n GLY 62 N 0.46 -0.90 0.11 0.21 0.00 -1.26 -1.72 105.19 102.08 2jvi n GLY 62 Ca 0.01 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2jvi n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jvi h ILE 63 N 0.00 1.53 -0.70 -0.61 2.04 -1.93 0.33 117.51 118.17 2jvi h ILE 63 Ca 0.00 -2.06 0.01 0.00 1.00 0.00 0.00 64.86 63.80 2jvi h ILE 63 Cb 0.15 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 2jvi h ILE 63 CO 0.00 0.57 0.46 -0.33 0.00 0.00 0.00 178.15 178.86 2jvi h GLU 64 N -0.44 0.93 -0.32 2.37 4.39 -1.70 -1.01 114.58 118.81 2jvi h GLU 64 Ca -0.05 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 2jvi h GLU 64 Cb 1.14 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2jvi h GLU 64 CO 0.07 0.62 -0.18 0.82 -1.16 0.00 0.00 179.01 179.18 2jvi h ILE 65 N 0.95 1.29 -0.65 3.13 1.08 -1.40 -2.02 117.51 119.89 2jvi h ILE 65 Ca 0.26 -1.30 -0.03 0.00 -0.39 0.00 0.00 64.86 63.40 2jvi h ILE 65 Cb -0.11 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 2jvi h ILE 65 CO -0.06 0.42 0.28 0.17 -0.69 0.00 0.00 178.15 178.27 2jvi h LEU 66 N 0.44 0.86 -0.14 1.44 8.10 -0.09 -1.55 115.31 124.37 2jvi h LEU 66 Ca 0.07 -0.11 -0.23 0.00 0.11 0.00 0.00 57.88 57.72 2jvi h LEU 66 Cb 0.71 -0.22 0.01 0.00 -0.44 0.00 0.00 40.66 40.72 2jvi h LEU 66 CO 0.05 0.76 -0.97 0.07 -4.11 0.00 0.00 178.44 174.24 2jvi h LYS 67 N 0.93 0.45 -0.24 0.17 2.10 -1.05 0.38 116.57 119.31 2jvi h LYS 67 Ca 0.22 -0.49 -0.10 0.00 -2.00 0.00 0.00 60.65 58.29 2jvi h LYS 67 Cb 0.15 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2jvi h LYS 67 CO -0.02 1.14 -0.26 0.07 -2.00 0.00 0.00 179.45 178.38 2jvi h ARG 68 N 0.25 0.46 0.00 0.07 0.11 -1.16 0.52 114.38 114.62 2jvi h ARG 68 Ca -0.09 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2jvi h ARG 68 Cb 1.61 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.66 2jvi h ARG 68 CO 0.17 0.69 0.00 0.00 0.10 0.00 0.00 179.97 180.93 2jvi h MET 69 N 0.40 0.00 -0.30 0.08 -0.00 -1.15 -2.05 114.93 111.92 2jvi h MET 69 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.59 2jvi h MET 69 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.27 2jvi h MET 69 CO 0.05 0.00 -0.48 0.87 -0.00 0.00 0.00 176.91 177.35 2jvi h LYS 70 N 0.00 0.85 -0.76 -0.10 6.56 0.74 0.55 116.57 124.41 2jvi h LYS 70 Ca 0.00 -0.52 -0.01 0.00 -1.06 0.00 0.00 60.65 59.06 2jvi h LYS 70 Cb 0.88 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.55 2jvi h LYS 70 CO 0.00 1.15 0.41 0.28 -2.06 0.00 0.00 179.45 179.24 2jvi h VAL 71 N 0.63 1.22 0.02 0.50 2.07 0.50 0.46 116.25 121.65 2jvi h VAL 71 Ca 0.02 -0.56 -0.25 0.00 0.82 0.00 0.00 66.70 66.74 2jvi h VAL 71 Cb 1.09 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2jvi h VAL 71 CO 0.11 0.25 -1.30 0.16 0.02 0.00 0.00 177.57 176.81 2jvi h ILE 72 N 1.05 1.36 -1.28 4.57 3.07 -1.40 -3.44 117.51 121.44 2jvi h ILE 72 Ca 0.27 -3.11 -0.21 0.00 1.55 0.00 0.00 64.86 63.36 2jvi h ILE 72 Cb 0.03 2.70 -0.21 0.00 -0.27 0.00 0.00 36.82 39.06 2jvi h ILE 72 CO -0.04 0.80 -0.57 -1.81 -1.05 0.00 0.00 178.15 175.48 2jvi s ASP 73 N -6.55 -0.80 0.00 2.16 1.01 0.19 -4.97 116.67 107.71 2jvi s ASP 73 Ca -0.02 -1.67 0.12 0.00 0.71 0.00 0.00 52.55 51.68 2jvi s ASP 73 Cb 0.09 1.46 0.71 0.00 1.01 0.00 0.00 42.92 46.19 2jvi s ASP 73 CO 0.83 -0.12 1.14 -0.62 0.21 0.00 0.00 175.17 176.61 2jvi n GLU 74 N 3.42 0.50 0.18 8.23 1.02 0.15 -0.71 120.64 133.42 2jvi n GLU 74 Ca 0.17 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.34 2jvi n GLU 74 Cb 0.54 -1.37 0.32 0.00 -0.02 0.00 0.00 31.44 30.90 2jvi n GLU 74 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2jvi h ASN 75 N 0.00 0.00 -4.29 1.62 -1.24 -1.89 -3.45 115.58 106.33 2jvi h ASN 75 Ca 0.00 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 56.51 2jvi h ASN 75 Cb 0.00 0.00 0.08 0.00 0.73 0.00 0.00 38.32 39.13 2jvi h ASN 75 CO 0.00 0.43 0.38 -0.51 -1.29 0.00 0.00 177.43 176.44 2jvi s ILE 76 N -3.82 4.06 0.33 2.57 2.07 0.11 -4.97 121.20 121.54 2jvi s ILE 76 Ca -0.01 0.77 0.05 0.00 -1.41 0.00 0.00 60.65 60.05 2jvi s ILE 76 Cb 0.13 -3.45 -0.02 0.00 0.13 0.00 0.00 42.46 39.25 2jvi s ILE 76 CO 0.72 -0.77 0.17 -2.11 -1.91 0.00 0.00 174.94 171.03 2jvi n ARG 77 N -2.68 0.52 -3.90 3.50 1.85 0.12 -4.92 116.66 111.14 2jvi n ARG 77 Ca 0.08 -2.94 -0.11 0.00 -1.00 0.00 0.00 57.85 53.88 2jvi n ARG 77 Cb 0.53 1.90 -0.11 0.00 -1.05 0.00 0.00 32.46 33.74 2jvi n ARG 77 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2jvi s VAL 78 N -2.99 0.08 -0.69 8.89 -7.23 -0.60 -1.34 120.40 116.52 2jvi s VAL 78 Ca 0.24 -0.64 0.05 0.00 -1.81 0.00 0.00 61.98 59.82 2jvi s VAL 78 Cb 0.01 -0.34 0.25 0.00 0.56 0.00 0.00 36.38 36.86 2jvi s VAL 78 CO 0.17 -0.35 0.80 -0.38 -0.31 0.00 0.00 175.10 175.03 2jvi n ILE 79 N 1.76 2.62 -2.16 -0.62 5.41 0.25 0.69 119.36 127.32 2jvi n ILE 79 Ca -0.21 -5.27 -0.40 0.00 1.00 0.00 0.00 62.75 57.87 2jvi n ILE 79 Cb 0.56 -2.11 -0.02 0.00 -0.71 0.00 0.00 39.64 37.36 2jvi n ILE 79 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 2jvi s ILE 80 N -2.41 2.82 -0.32 1.39 -0.00 -0.80 -2.28 121.20 119.60 2jvi s ILE 80 Ca 0.38 0.79 -0.06 0.00 -0.00 0.00 0.00 60.65 61.75 2jvi s ILE 80 Cb 0.12 -3.49 0.03 0.00 -0.00 0.00 0.00 42.46 39.12 2jvi s ILE 80 CO -0.01 0.16 0.09 -0.04 -0.00 0.00 0.00 174.94 175.14 2jvi s MET 81 N -1.93 2.80 0.36 0.37 -1.94 0.13 -1.40 119.30 117.69 2jvi s MET 81 Ca 0.51 -1.05 0.08 0.00 -1.71 0.00 0.00 55.69 53.52 2jvi s MET 81 Cb -0.37 -3.41 -0.07 0.00 2.01 0.00 0.00 34.83 32.98 2jvi s MET 81 CO 0.49 -0.58 -0.06 -0.08 -0.01 0.00 0.00 175.02 174.79 2jvi s THR 82 N 1.44 2.10 0.00 2.05 -1.32 0.21 0.13 115.64 120.26 2jvi s THR 82 Ca -0.00 -2.13 -0.12 0.00 -1.21 0.00 0.00 61.69 58.23 2jvi s THR 82 Cb -0.19 -2.75 -0.15 0.00 -1.51 0.00 0.00 72.50 67.91 2jvi s THR 82 CO 0.02 -0.14 1.16 0.00 -2.21 0.00 0.00 174.62 173.46 2jvi n ALA 83 N -0.83 0.85 -0.67 11.08 0.00 -1.26 -2.89 120.51 126.78 2jvi n ALA 83 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2jvi n ALA 83 Cb 0.65 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.32 2jvi n ALA 83 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jvi n TYR 84 N 6.38 0.00 -0.23 0.00 9.36 -1.26 -3.97 117.16 127.44 2jvi n TYR 84 Ca 0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.40 2jvi n TYR 84 Cb 0.17 -1.66 0.00 0.00 -0.63 0.00 0.00 39.34 37.22 2jvi n TYR 84 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2jvi n GLY 85 N -0.88 -0.51 0.09 2.98 0.00 -1.26 -4.91 105.19 100.71 2jvi n GLY 85 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2jvi n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jvi n GLU 86 N 0.27 0.74 -0.80 1.61 1.02 -1.25 -4.98 120.64 117.24 2jvi n GLU 86 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2jvi n GLU 86 Cb 0.00 -1.07 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2jvi n GLU 86 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jvi n LEU 87 N -0.38 0.00 0.00 -4.62 4.77 -1.26 -4.85 117.00 110.66 2jvi n LEU 87 Ca 0.00 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 2jvi n LEU 87 Cb 0.03 -2.42 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 2jvi n LEU 87 CO 0.00 -1.90 0.00 -0.67 -1.33 0.00 0.00 177.39 173.49 2jvi n ASP 88 N -3.09 0.00 0.29 -1.43 2.03 -1.26 -1.80 116.55 111.28 2jvi n ASP 88 Ca 0.01 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.48 2jvi n ASP 88 Cb 0.37 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.62 2jvi n ASP 88 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2jvi h MET 89 N 0.00 0.00 -0.56 -0.67 2.86 -1.98 -0.52 114.93 114.06 2jvi h MET 89 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2jvi h MET 89 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2jvi h MET 89 CO 0.00 0.06 -0.09 0.82 1.06 0.00 0.00 176.91 178.76 2jvi h ILE 90 N 0.00 1.27 -0.42 -1.22 1.08 -1.69 0.48 117.51 117.00 2jvi h ILE 90 Ca -0.00 -1.25 -0.09 0.00 -0.39 0.00 0.00 64.86 63.13 2jvi h ILE 90 Cb 0.26 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 2jvi h ILE 90 CO 0.01 0.45 -0.09 1.56 -0.69 0.00 0.00 178.15 179.39 2jvi h GLN 91 N 0.94 0.81 -0.80 2.37 1.08 -1.38 -2.98 115.11 115.14 2jvi h GLN 91 Ca 0.15 -0.30 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 2jvi h GLN 91 Cb 0.66 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 2jvi h GLN 91 CO 0.05 0.92 0.33 1.49 -0.95 0.00 0.00 178.83 180.66 2jvi h GLU 92 N 0.63 1.20 0.39 1.46 4.81 -0.92 -0.87 114.58 121.27 2jvi h GLU 92 Ca 0.11 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2jvi h GLU 92 Cb 0.61 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2jvi h GLU 92 CO 0.04 0.96 -0.36 1.03 -0.73 0.00 0.00 179.01 179.95 2jvi h SER 93 N 1.17 -0.98 -0.78 1.04 0.87 0.11 0.19 113.55 115.16 2jvi h SER 93 Ca 0.27 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.98 2jvi h SER 93 Cb 0.21 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 2jvi h SER 93 CO -0.02 -0.49 0.51 0.07 -0.53 0.00 0.00 176.83 176.37 2jvi h LYS 94 N -0.74 0.76 0.00 2.24 2.10 -1.58 -1.71 116.57 117.64 2jvi h LYS 94 Ca -0.05 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 2jvi h LYS 94 Cb 0.63 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2jvi h LYS 94 CO -0.03 0.51 -0.09 1.05 -2.00 0.00 0.00 179.45 178.89 2jvi h GLU 95 N 0.79 0.00 -0.01 0.07 4.11 -0.27 -1.13 114.58 118.14 2jvi h GLU 95 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 2jvi h GLU 95 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jvi h GLU 95 CO -0.13 0.09 -0.22 1.28 0.07 0.00 0.00 179.01 180.11 2jvi n LEU 96 N -3.41 0.86 0.00 3.06 4.32 0.57 -4.85 117.00 117.56 2jvi n LEU 96 Ca -0.01 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 2jvi n LEU 96 Cb 0.25 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 2jvi n LEU 96 CO 0.28 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 2jvi n GLY 97 N 1.32 0.82 3.74 -0.72 0.00 -0.50 -4.95 105.19 104.89 2jvi n GLY 97 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2jvi n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jvi s ALA 98 N -1.06 3.45 -0.05 4.61 0.00 -0.75 -1.55 121.76 126.41 2jvi s ALA 98 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 2jvi s ALA 98 Cb 0.00 -2.76 -0.22 0.00 0.00 0.00 0.00 23.12 20.14 2jvi s ALA 98 CO 0.00 0.04 1.10 -0.07 0.00 0.00 0.00 175.76 176.83 2jvi h LEU 99 N 6.30 0.09 -7.74 0.00 3.38 0.01 -3.37 115.31 113.97 2jvi h LEU 99 Ca -0.43 -0.68 -0.20 0.00 0.09 0.00 0.00 57.88 56.66 2jvi h LEU 99 Cb 1.19 -0.03 -0.26 0.00 0.09 0.00 0.00 40.66 41.66 2jvi h LEU 99 CO 0.73 0.75 -0.65 0.42 0.09 0.00 0.00 178.44 179.78 2jvi s THR 100 N -3.51 0.03 -0.88 0.22 -4.23 -1.25 -4.99 115.64 101.04 2jvi s THR 100 Ca -0.16 -0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 60.03 2jvi s THR 100 Cb 0.01 -0.15 0.22 0.00 1.34 0.00 0.00 72.50 73.92 2jvi s THR 100 CO 0.70 -0.13 0.80 0.00 -0.54 0.00 0.00 174.62 175.45 2jvi s ALA 101 N -0.38 4.20 0.64 3.99 0.00 -1.25 -1.90 121.76 127.06 2jvi s ALA 101 Ca -0.04 -3.55 -0.13 0.00 0.00 0.00 0.00 51.96 48.23 2jvi s ALA 101 Cb -0.03 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2jvi s ALA 101 CO 0.00 -2.20 1.05 -0.06 0.00 0.00 0.00 175.76 174.55 2jvi s PHE 102 N -0.54 3.09 0.04 0.00 0.08 -0.49 -4.69 117.98 115.48 2jvi s PHE 102 Ca 0.23 1.46 0.01 0.00 0.12 0.00 0.00 56.93 58.74 2jvi s PHE 102 Cb -0.11 -2.92 0.01 0.00 -0.57 0.00 0.00 43.02 39.42 2jvi s PHE 102 CO -0.08 -1.12 0.06 0.00 -0.10 0.00 0.00 175.22 173.98 2jvi n ALA 103 N -2.57 0.08 -0.03 5.36 0.00 -1.25 0.68 120.51 122.78 2jvi n ALA 103 Ca 0.08 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 2jvi n ALA 103 Cb 0.53 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 2jvi n ALA 103 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jvi h LYS 104 N 0.00 0.37 -5.87 0.00 3.64 -1.89 -3.39 116.57 109.44 2jvi h LYS 104 Ca -0.02 -0.29 -0.44 0.00 -1.27 0.00 0.00 60.65 58.62 2jvi h LYS 104 Cb 0.09 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2jvi h LYS 104 CO 0.03 0.93 1.24 -1.25 -2.27 0.00 0.00 179.45 178.12 2jvi s PRO 105 N -3.67 2.51 -0.06 1.90 0.04 -1.26 -4.97 135.00 129.49 2jvi s PRO 105 Ca -0.14 0.54 0.02 0.00 0.04 0.00 0.00 61.00 61.46 2jvi s PRO 105 Cb 0.04 -4.55 -0.03 0.00 0.04 0.00 0.00 34.50 30.01 2jvi s PRO 105 CO 0.78 -2.98 -0.11 -0.59 0.04 0.00 0.00 177.00 174.14 2jvi s PHE 106 N 9.84 2.80 -0.70 0.56 -0.71 -1.26 -5.00 117.98 123.51 2jvi s PHE 106 Ca 0.72 -0.12 0.05 0.00 -1.04 0.00 0.00 56.93 56.55 2jvi s PHE 106 Cb -0.12 -1.68 0.31 0.00 -1.21 0.00 0.00 43.02 40.33 2jvi s PHE 106 CO 0.17 0.22 0.98 -0.25 -1.34 0.00 0.00 175.22 175.00 2jvi n ASP 107 N 2.36 2.82 0.00 1.98 8.00 -1.26 -4.92 116.55 125.53 2jvi n ASP 107 Ca -0.17 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 52.96 2jvi n ASP 107 Cb 0.52 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 2jvi n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jvi n ILE 108 N 0.23 0.00 0.26 0.53 3.06 -1.26 -3.33 119.36 118.84 2jvi n ILE 108 Ca 0.11 0.00 0.11 0.00 -2.50 0.00 0.00 62.75 60.47 2jvi n ILE 108 Cb 0.62 0.00 0.70 0.00 0.54 0.00 0.00 39.64 41.50 2jvi n ILE 108 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2jvi h ASP 109 N 0.00 0.00 0.58 9.51 3.58 -1.99 -0.21 116.42 127.90 2jvi h ASP 109 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2jvi h ASP 109 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2jvi h ASP 109 CO 0.00 0.12 -0.38 1.05 -2.88 0.00 0.00 179.24 177.16 2jvi h GLU 110 N 0.00 0.00 0.01 0.28 4.11 -1.95 0.55 114.58 117.58 2jvi h GLU 110 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2jvi h GLU 110 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jvi h GLU 110 CO 0.02 0.38 -0.28 0.82 0.07 0.00 0.00 179.01 180.01 2jvi h ILE 111 N 0.00 1.57 -0.50 -1.06 1.08 -1.36 -1.02 117.51 116.21 2jvi h ILE 111 Ca -0.00 -2.05 -0.12 0.00 -0.39 0.00 0.00 64.86 62.30 2jvi h ILE 111 Cb 0.77 2.87 -0.02 0.00 -3.07 0.00 0.00 36.82 37.38 2jvi h ILE 111 CO 0.05 0.56 -0.14 0.08 -0.69 0.00 0.00 178.15 178.01 2jvi h ARG 112 N -0.54 0.97 -0.43 2.37 -0.00 -1.24 -1.76 114.38 113.76 2jvi h ARG 112 Ca -0.04 -0.37 -0.06 0.00 -0.00 0.00 0.00 59.98 59.51 2jvi h ARG 112 Cb 1.07 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 30.97 2jvi h ARG 112 CO 0.06 1.04 0.03 0.22 -0.00 0.00 0.00 179.97 181.32 2jvi h ASP 113 N 0.86 0.72 -0.12 0.08 3.58 0.03 -2.50 116.42 119.06 2jvi h ASP 113 Ca 0.13 -0.29 0.03 0.00 0.42 0.00 0.00 57.03 57.33 2jvi h ASP 113 Cb 0.70 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 2jvi h ASP 113 CO 0.05 0.82 -0.10 0.00 -2.88 0.00 0.00 179.24 177.14 2jvi h ALA 114 N 0.92 -0.01 0.03 -0.78 0.00 -0.99 -0.77 119.26 117.66 2jvi h ALA 114 Ca 0.13 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2jvi h ALA 114 Cb 0.43 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jvi h ALA 114 CO 0.02 -0.55 -0.05 -0.39 0.00 0.00 0.00 179.25 178.27 2jvi h VAL 115 N -0.12 0.88 0.00 0.00 -1.51 -1.13 -1.16 116.25 113.21 2jvi h VAL 115 Ca 0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.50 2jvi h VAL 115 Cb 0.23 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 2jvi h VAL 115 CO -0.19 0.00 -0.25 0.07 -1.23 0.00 0.00 177.57 175.97 2jvi h LYS 116 N -0.10 0.00 0.00 5.19 2.10 -1.33 0.36 116.57 122.79 2jvi h LYS 116 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2jvi h LYS 116 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2jvi h LYS 116 CO -0.03 0.25 -0.09 0.36 -2.00 0.00 0.00 179.45 177.94 2jvi n LYS 117 N -4.15 0.10 -0.08 0.07 2.85 -0.30 -2.43 118.16 114.21 2jvi n LYS 117 Ca -0.02 0.07 -0.08 0.00 -1.05 0.00 0.00 58.31 57.23 2jvi n LYS 117 Cb 0.31 -1.60 -0.03 0.00 -0.65 0.00 0.00 35.03 33.06 2jvi n LYS 117 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2jvi n TYR 118 N -1.77 0.71 -4.01 5.58 4.01 -0.49 -4.88 117.16 116.31 2jvi n TYR 118 Ca 0.06 0.31 -0.31 0.00 -0.16 0.00 0.00 57.90 57.80 2jvi n TYR 118 Cb 0.37 -0.76 -0.15 0.00 -0.31 0.00 0.00 39.34 38.49 2jvi n TYR 118 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2jvi s LEU 119 N -8.10 3.06 0.03 7.72 2.96 0.12 -5.11 118.68 119.36 2jvi s LEU 119 Ca -0.20 -1.31 -0.00 0.00 -0.22 0.00 0.00 54.13 52.39 2jvi s LEU 119 Cb 0.03 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2jvi s LEU 119 CO 0.31 -0.22 0.16 -2.16 -1.32 0.00 0.00 176.35 173.13 2jvi s PRO 120 N 1.23 3.30 0.00 0.98 0.04 -1.02 -3.60 135.00 135.94 2jvi s PRO 120 Ca -0.07 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.52 2jvi s PRO 120 Cb -0.19 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2jvi s PRO 120 CO -0.06 0.63 0.00 -0.11 0.04 0.00 0.00 177.00 177.50 2jvi n LEU 121 N 0.65 0.00 0.08 -3.56 0.00 -1.26 -4.91 117.00 108.00 2jvi n LEU 121 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.92 2jvi n LEU 121 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 2jvi n LEU 121 CO 0.46 -0.50 0.00 0.29 0.00 0.00 0.00 177.39 177.65 2jvi n LYS 122 N -2.49 0.00 0.00 1.96 4.76 -1.25 -5.03 118.16 116.11 2jvi n LYS 122 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2jvi n LYS 122 Cb 0.00 -0.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.08 2jvi n LYS 122 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2jvi n SER 123 N -3.20 0.00 -3.65 4.39 3.41 0.11 -4.11 113.62 110.58 2jvi n SER 123 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 2jvi n SER 123 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2jvi n SER 123 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2jvi s ASN 124 N -3.50 -0.69 -0.09 4.04 3.04 -1.26 -4.96 114.94 111.52 2jvi s ASN 124 Ca 0.00 1.27 -0.03 0.00 0.04 0.00 0.00 52.86 54.15 2jvi s ASN 124 Cb 0.00 1.77 -0.06 0.00 -1.54 0.00 0.00 41.25 41.42 2jvi s ASN 124 CO 0.00 -0.23 2.67 0.18 -3.04 0.00 0.00 177.10 176.68 2jvi n LEU 125 N 5.36 5.58 0.08 3.21 4.77 -1.26 -4.67 117.00 130.06 2jvi n LEU 125 Ca -0.11 -2.98 -0.13 0.00 -0.03 0.00 0.00 56.01 52.76 2jvi n LEU 125 Cb 0.50 -1.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 2jvi n LEU 125 CO -0.02 1.36 0.60 1.05 -1.33 0.00 0.00 177.39 179.05 2jvi h GLU 126 N 1.99 -0.56 0.00 3.23 -0.00 -1.95 -3.41 114.58 113.87 2jvi h GLU 126 Ca 0.15 0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.55 2jvi h GLU 126 Cb 1.15 0.13 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 2jvi h GLU 126 CO 0.28 -0.37 0.00 0.72 -0.00 0.00 0.00 179.01 179.63 2jvi n HIS 127 N -5.45 -0.27 -2.59 2.06 8.25 -1.26 -4.93 115.22 111.04 2jvi n HIS 127 Ca -0.06 0.05 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 2jvi n HIS 127 Cb 0.36 0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2jvi n HIS 127 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jvi n HIS 128 N -2.76 4.06 -3.20 4.41 1.44 -1.26 -4.92 115.22 113.00 2jvi n HIS 128 Ca 0.00 -3.06 -0.44 0.00 -2.01 0.00 0.00 57.72 52.20 2jvi n HIS 128 Cb 0.00 -2.16 -0.06 0.00 0.12 0.00 0.00 29.99 27.89 2jvi n HIS 128 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2jvi s HIS 129 N 1.47 3.08 -0.15 -1.40 -3.43 -1.26 -5.00 115.29 108.60 2jvi s HIS 129 Ca 0.43 -0.77 -0.06 0.00 -0.80 0.00 0.00 55.06 53.86 2jvi s HIS 129 Cb 0.04 -3.61 -0.04 0.00 -1.43 0.00 0.00 32.58 27.54 2jvi s HIS 129 CO 0.00 -1.06 0.05 -1.58 -2.00 0.00 0.00 174.74 170.15 2jvi s HIS 130 N 2.39 3.24 -0.51 0.38 2.46 -1.26 -5.06 115.29 116.94 2jvi s HIS 130 Ca 0.11 0.11 -0.24 0.00 0.47 0.00 0.00 55.06 55.51 2jvi s HIS 130 Cb -0.22 -1.99 0.04 0.00 -0.13 0.00 0.00 32.58 30.28 2jvi s HIS 130 CO 0.09 0.26 0.90 -3.38 -2.47 0.00 0.00 174.74 170.15 2jvi s HIS 131 N -0.05 2.86 0.00 3.88 -3.43 -1.26 -5.24 115.29 112.05 2jvi s HIS 131 Ca 0.06 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.41 2jvi s HIS 131 Cb -0.12 -3.97 0.00 0.00 -1.43 0.00 0.00 32.58 27.06 2jvi s HIS 131 CO 0.01 -1.22 0.00 1.58 -2.00 0.00 0.00 174.74 173.11