#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vjr n HIS 0 N 0.00 4.07 -0.45 0.00 -0.00 -1.26 -4.87 115.22 112.71 1vjr n HIS 0 Ca 0.00 -3.04 0.40 0.00 -0.00 0.00 0.00 57.72 55.08 1vjr n HIS 0 Cb 0.00 -2.22 0.75 0.00 -0.00 0.00 0.00 29.99 28.53 1vjr n HIS 0 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1vjr h VAL 1 N 4.40 0.27 0.00 1.59 3.04 -2.04 -1.47 116.25 122.03 1vjr h VAL 1 Ca 0.39 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 1vjr h VAL 1 Cb 0.76 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 1vjr h VAL 1 CO 1.48 0.01 0.00 -0.07 -1.01 0.00 0.00 177.57 177.98 1vjr h LEU 2 N 0.03 0.00 -1.84 3.16 3.38 -1.93 -3.13 115.31 114.98 1vjr h LEU 2 Ca 0.71 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.76 1vjr h LEU 2 Cb 2.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 43.46 1vjr h LEU 2 CO -0.06 0.00 0.28 0.44 0.09 0.00 0.00 178.44 179.19 1vjr h ASP 3 N 0.00 0.17 0.90 -0.43 3.32 -1.60 -2.37 116.42 116.42 1vjr h ASP 3 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vjr h ASP 3 Cb 0.70 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1vjr h ASP 3 CO 0.00 0.11 0.00 2.29 -1.72 0.00 0.00 179.24 179.92 1vjr n LYS 4 N -4.46 0.16 -2.20 3.56 2.85 -1.18 -4.76 118.16 112.13 1vjr n LYS 4 Ca 0.06 0.30 -0.42 0.00 -1.05 0.00 0.00 58.31 57.19 1vjr n LYS 4 Cb 0.34 -1.75 -0.03 0.00 -0.65 0.00 0.00 35.03 32.94 1vjr n LYS 4 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1vjr s ILE 5 N -3.17 3.77 -0.14 0.58 -1.09 -0.89 -4.61 121.20 115.65 1vjr s ILE 5 Ca 0.07 1.06 0.17 0.00 -2.23 0.00 0.00 60.65 59.72 1vjr s ILE 5 Cb 0.11 -3.68 -0.24 0.00 -1.58 0.00 0.00 42.46 37.06 1vjr s ILE 5 CO 0.43 -0.05 0.15 -0.62 -1.23 0.00 0.00 174.94 173.63 1vjr n GLU 6 N 6.13 0.93 -4.00 2.79 -0.58 0.29 -4.93 120.64 121.26 1vjr n GLU 6 Ca 0.14 -0.05 -0.23 0.00 -0.42 0.00 0.00 57.16 56.60 1vjr n GLU 6 Cb 0.44 -1.46 -0.17 0.00 -0.57 0.00 0.00 31.44 29.67 1vjr n GLU 6 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1vjr s LEU 7 N -5.09 1.07 -0.23 -4.62 2.96 -0.79 -0.41 118.68 111.55 1vjr s LEU 7 Ca -0.09 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1vjr s LEU 7 Cb 0.07 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 46.14 1vjr s LEU 7 CO 0.76 -0.11 0.08 -0.36 -1.32 0.00 0.00 176.35 175.40 1vjr s PHE 8 N 1.46 3.13 -0.17 5.38 0.40 0.41 -1.93 117.98 126.67 1vjr s PHE 8 Ca -0.02 -0.25 -0.20 0.00 -0.60 0.00 0.00 56.93 55.86 1vjr s PHE 8 Cb -0.13 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1vjr s PHE 8 CO -0.04 -0.22 0.59 0.42 0.70 0.00 0.00 175.22 176.68 1vjr s ILE 9 N 1.32 5.07 -0.09 0.64 1.01 0.42 -0.72 121.20 128.85 1vjr s ILE 9 Ca 0.05 1.13 0.03 0.00 0.00 0.00 0.00 60.65 61.85 1vjr s ILE 9 Cb -0.15 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 1vjr s ILE 9 CO 0.04 0.18 -0.17 -0.76 0.00 0.00 0.00 174.94 174.23 1vjr s LEU 10 N 1.51 2.54 0.00 2.97 1.43 0.51 -0.11 118.68 127.52 1vjr s LEU 10 Ca 0.28 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1vjr s LEU 10 Cb -0.16 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.59 1vjr s LEU 10 CO 0.11 0.23 0.17 0.47 0.23 0.00 0.00 176.35 177.56 1vjr n ASP 11 N 3.05 -1.81 0.00 2.29 9.92 -0.51 -0.81 116.55 128.69 1vjr n ASP 11 Ca -0.18 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.71 1vjr n ASP 11 Cb 0.52 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 1vjr n ASP 11 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1vjr n ASP 13 N -3.41 0.00 0.00 -2.24 -0.08 -1.26 -3.57 116.55 106.00 1vjr n ASP 13 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1vjr n ASP 13 Cb 0.10 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1vjr n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1vjr n GLY 14 N 0.00 2.47 1.05 0.27 0.00 0.12 -4.88 105.19 104.23 1vjr n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vjr n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vjr n THR 15 N -1.27 0.79 0.02 2.61 -1.04 -1.26 -2.45 114.28 111.67 1vjr n THR 15 Ca 0.00 0.26 -0.17 0.00 -2.04 0.00 0.00 64.05 62.10 1vjr n THR 15 Cb 0.00 -1.54 -0.14 0.00 -1.82 0.00 0.00 70.33 66.83 1vjr n THR 15 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1vjr h PHE 16 N 0.00 0.37 -3.99 -1.42 3.57 -1.90 -3.44 116.94 110.13 1vjr h PHE 16 Ca 0.00 -0.27 -0.12 0.00 3.53 0.00 0.00 57.97 61.11 1vjr h PHE 16 Cb 0.35 -0.01 -0.12 0.00 2.79 0.00 0.00 35.95 38.96 1vjr h PHE 16 CO 0.00 1.49 -0.31 1.52 -2.23 0.00 0.00 178.31 178.78 1vjr s TYR 17 N -2.58 0.62 -0.19 0.41 -0.85 -1.26 -1.64 117.35 111.87 1vjr s TYR 17 Ca -0.15 -0.94 -0.04 0.00 -0.52 0.00 0.00 57.07 55.43 1vjr s TYR 17 Cb 0.07 -0.09 0.06 0.00 0.38 0.00 0.00 41.96 42.38 1vjr s TYR 17 CO 0.81 -0.83 0.06 -1.17 -1.52 0.00 0.00 175.55 172.89 1vjr s LEU 18 N -3.05 0.88 0.00 -3.49 2.96 0.10 0.16 118.68 116.24 1vjr s LEU 18 Ca 0.27 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1vjr s LEU 18 Cb 0.02 -0.47 0.00 0.00 0.50 0.00 0.00 46.19 46.25 1vjr s LEU 18 CO 0.08 -0.32 0.00 -0.67 -1.32 0.00 0.00 176.35 174.12 1vjr n ASP 19 N 5.13 0.00 -0.00 3.68 -0.08 -1.26 -2.69 116.55 121.33 1vjr n ASP 19 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1vjr n ASP 19 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1vjr n ASP 19 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1vjr n ASP 20 N 8.72 1.91 -4.17 1.67 3.85 -1.26 -5.03 116.55 122.24 1vjr n ASP 20 Ca 0.00 -1.96 -0.29 0.00 -0.71 0.00 0.00 54.79 51.84 1vjr n ASP 20 Cb 0.00 -0.00 -0.16 0.00 -1.35 0.00 0.00 41.12 39.60 1vjr n ASP 20 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1vjr s SER 21 N -0.96 2.54 0.51 -1.12 0.01 -1.10 -5.11 113.70 108.47 1vjr s SER 21 Ca 0.00 -0.43 -0.23 0.00 1.31 0.00 0.00 55.95 56.60 1vjr s SER 21 Cb 0.00 -0.89 -0.06 0.00 0.21 0.00 0.00 66.02 65.28 1vjr s SER 21 CO 0.00 0.16 1.36 -0.76 0.41 0.00 0.00 173.24 174.40 1vjr s LEU 22 N 0.17 3.94 0.43 2.44 1.43 -1.26 0.03 118.68 125.86 1vjr s LEU 22 Ca -0.09 2.76 -0.04 0.00 -1.03 0.00 0.00 54.13 55.73 1vjr s LEU 22 Cb -0.14 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1vjr s LEU 22 CO 0.04 -1.39 0.71 -0.76 0.23 0.00 0.00 176.35 175.18 1vjr s LEU 23 N -3.24 3.76 0.11 1.79 1.43 -0.65 -4.79 118.68 117.09 1vjr s LEU 23 Ca 0.68 0.79 -0.32 0.00 -1.03 0.00 0.00 54.13 54.25 1vjr s LEU 23 Cb -0.40 -3.71 -0.11 0.00 0.03 0.00 0.00 46.19 41.99 1vjr s LEU 23 CO 0.49 -0.47 1.81 -2.65 0.23 0.00 0.00 176.35 175.75 1vjr n PRO 24 N -2.03 2.67 0.00 1.29 -0.02 -1.26 -2.14 135.00 133.51 1vjr n PRO 24 Ca -0.01 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1vjr n PRO 24 Cb 0.55 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1vjr n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vjr n GLY 25 N 4.14 1.54 0.16 -1.23 0.00 -1.26 -3.64 105.19 104.90 1vjr n GLY 25 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1vjr n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vjr h SER 26 N 0.00 -0.34 -0.15 1.61 0.02 -1.73 0.33 113.55 113.29 1vjr h SER 26 Ca 0.00 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1vjr h SER 26 Cb 0.00 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1vjr h SER 26 CO 0.00 -0.14 0.03 -0.07 -1.14 0.00 0.00 176.83 175.51 1vjr h LEU 27 N -0.11 0.23 -1.57 5.07 3.38 -1.92 -2.36 115.31 118.03 1vjr h LEU 27 Ca 0.10 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1vjr h LEU 27 Cb 0.25 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1vjr h LEU 27 CO -0.23 0.41 0.33 -0.08 0.09 0.00 0.00 178.44 178.96 1vjr h GLU 28 N 0.04 0.55 0.03 1.13 4.57 -1.90 -0.54 114.58 118.46 1vjr h GLU 28 Ca 0.05 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1vjr h GLU 28 Cb 0.27 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1vjr h GLU 28 CO 0.00 0.36 -0.01 0.35 -1.18 0.00 0.00 179.01 178.53 1vjr h PHE 29 N 0.57 -0.03 -0.87 0.92 3.57 0.06 -0.19 116.94 120.97 1vjr h PHE 29 Ca 0.20 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1vjr h PHE 29 Cb 0.08 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1vjr h PHE 29 CO -0.00 -0.02 0.45 -0.07 -2.23 0.00 0.00 178.31 176.44 1vjr h LEU 30 N -0.03 1.11 -1.01 0.59 3.38 -0.93 -1.59 115.31 116.82 1vjr h LEU 30 Ca -0.00 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1vjr h LEU 30 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1vjr h LEU 30 CO 0.01 0.91 -0.11 -0.08 0.09 0.00 0.00 178.44 179.26 1vjr h GLU 31 N 1.22 0.59 -0.26 1.13 4.57 -0.80 -1.62 114.58 119.42 1vjr h GLU 31 Ca 0.30 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1vjr h GLU 31 Cb 0.07 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1vjr h GLU 31 CO -0.04 0.69 0.17 1.15 -1.18 0.00 0.00 179.01 179.79 1vjr h THR 32 N 0.55 1.08 -0.56 0.32 2.02 -0.69 -1.67 112.91 113.96 1vjr h THR 32 Ca 0.10 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.17 1vjr h THR 32 Cb 0.51 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1vjr h THR 32 CO 0.03 0.08 0.28 -0.07 0.37 0.00 0.00 175.52 176.21 1vjr h LEU 33 N 0.34 0.40 -0.43 2.58 3.38 -0.90 -1.45 115.31 119.23 1vjr h LEU 33 Ca 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1vjr h LEU 33 Cb -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1vjr h LEU 33 CO -0.02 0.27 0.23 0.50 0.09 0.00 0.00 178.44 179.51 1vjr h LYS 34 N 0.54 0.61 -0.46 1.13 3.64 -1.08 0.19 116.57 121.15 1vjr h LYS 34 Ca 0.25 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1vjr h LYS 34 Cb 0.17 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1vjr h LYS 34 CO -0.18 0.49 0.27 0.93 -2.27 0.00 0.00 179.45 178.70 1vjr h GLU 35 N 0.57 0.61 -0.58 1.90 5.08 -0.96 -2.73 114.58 118.46 1vjr h GLU 35 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1vjr h GLU 35 Cb 0.07 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1vjr h GLU 35 CO -0.02 0.43 0.00 1.63 -1.00 0.00 0.00 179.01 180.05 1vjr n LYS 36 N -4.44 2.40 -4.01 2.33 4.76 -0.58 -4.94 118.16 113.68 1vjr n LYS 36 Ca 0.04 -2.17 -0.31 0.00 -2.87 0.00 0.00 58.31 53.00 1vjr n LYS 36 Cb 0.08 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1vjr n LYS 36 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1vjr n ASN 37 N 1.27 -3.65 -4.88 4.39 4.13 -0.83 -5.00 115.26 110.70 1vjr n ASN 37 Ca 0.20 -0.88 -0.23 0.00 1.68 0.00 0.00 54.58 55.35 1vjr n ASN 37 Cb 0.52 -3.43 -0.02 0.00 -1.54 0.00 0.00 39.78 35.30 1vjr n ASN 37 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1vjr s LYS 38 N -6.68 2.39 0.11 3.52 1.02 0.62 -5.02 119.74 115.69 1vjr s LYS 38 Ca 0.59 -1.74 0.03 0.00 0.02 0.00 0.00 55.97 54.86 1vjr s LYS 38 Cb -0.31 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1vjr s LYS 38 CO 0.87 -0.37 -0.09 1.03 -0.92 0.00 0.00 175.35 175.88 1vjr s ARG 39 N -4.19 0.89 0.06 1.68 0.52 0.45 -4.39 118.95 113.97 1vjr s ARG 39 Ca 0.43 -1.30 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1vjr s ARG 39 Cb -0.02 -0.41 -0.03 0.00 0.52 0.00 0.00 34.95 35.00 1vjr s ARG 39 CO 0.26 0.04 0.00 -0.59 0.02 0.00 0.00 175.30 175.03 1vjr s PHE 40 N -3.16 0.49 -0.12 -0.53 -0.71 -1.26 -0.44 117.98 112.25 1vjr s PHE 40 Ca 0.11 -1.02 -0.08 0.00 -1.04 0.00 0.00 56.93 54.90 1vjr s PHE 40 Cb 0.02 -0.35 0.04 0.00 -1.21 0.00 0.00 43.02 41.52 1vjr s PHE 40 CO -0.02 -0.41 0.29 0.54 -1.34 0.00 0.00 175.22 174.29 1vjr s VAL 41 N -3.92 -0.02 0.17 -2.49 0.11 0.10 -4.90 120.40 109.45 1vjr s VAL 41 Ca 0.08 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.91 1vjr s VAL 41 Cb 0.08 -0.43 -0.08 0.00 -1.53 0.00 0.00 36.38 34.42 1vjr s VAL 41 CO -0.09 0.03 0.92 -0.36 -3.33 0.00 0.00 175.10 172.26 1vjr s PHE 42 N 0.79 3.90 -0.00 1.54 0.08 0.16 -0.36 117.98 124.09 1vjr s PHE 42 Ca -0.05 1.82 0.03 0.00 0.12 0.00 0.00 56.93 58.85 1vjr s PHE 42 Cb -0.06 -2.97 -0.01 0.00 -0.57 0.00 0.00 43.02 39.41 1vjr s PHE 42 CO -0.05 0.37 -0.11 0.12 -0.10 0.00 0.00 175.22 175.45 1vjr s PHE 43 N -0.69 0.96 0.02 0.36 5.36 0.01 -0.41 117.98 123.59 1vjr s PHE 43 Ca 0.42 -0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 1vjr s PHE 43 Cb -0.24 -0.61 -0.01 0.00 -0.34 0.00 0.00 43.02 41.81 1vjr s PHE 43 CO 0.30 -0.01 -0.05 -0.08 -1.46 0.00 0.00 175.22 173.92 1vjr s THR 44 N -0.30 0.31 -0.84 0.12 -1.32 -0.71 -4.33 115.64 108.57 1vjr s THR 44 Ca 0.04 -0.61 0.25 0.00 -1.21 0.00 0.00 61.69 60.16 1vjr s THR 44 Cb -0.04 -0.35 0.23 0.00 -1.51 0.00 0.00 72.50 70.83 1vjr s THR 44 CO -0.00 -0.20 1.76 0.59 -2.21 0.00 0.00 174.62 174.56 1vjr n ASN 45 N 2.20 0.34 -4.55 8.08 3.02 -1.26 -1.54 115.26 121.55 1vjr n ASN 45 Ca -0.18 0.55 -0.40 0.00 -0.03 0.00 0.00 54.58 54.52 1vjr n ASN 45 Cb 0.57 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1vjr n ASN 45 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1vjr s ASN 46 N -3.64 5.98 -0.14 6.41 3.84 -1.26 -4.44 114.94 121.69 1vjr s ASN 46 Ca 0.10 -0.49 0.08 0.00 0.21 0.00 0.00 52.86 52.76 1vjr s ASN 46 Cb 0.14 -2.56 0.48 0.00 -0.55 0.00 0.00 41.25 38.76 1vjr s ASN 46 CO 0.48 -1.95 1.24 -1.54 -2.79 0.00 0.00 177.10 172.54 1vjr n SER 47 N 10.27 3.77 0.13 -4.21 3.41 -1.26 -3.95 113.62 121.77 1vjr n SER 47 Ca 0.14 -2.56 0.13 0.00 -0.26 0.00 0.00 58.87 56.32 1vjr n SER 47 Cb 0.50 -0.61 0.45 0.00 -0.26 0.00 0.00 64.21 64.28 1vjr n SER 47 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1vjr h SER 48 N 2.28 0.00 -4.27 4.04 4.64 -1.89 -3.40 113.55 114.95 1vjr h SER 48 Ca 0.01 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.03 1vjr h SER 48 Cb 1.39 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.33 1vjr h SER 48 CO 0.30 0.00 -0.69 -0.76 -0.87 0.00 0.00 176.83 174.81 1vjr s LEU 49 N -4.62 2.36 0.53 5.97 1.43 -1.25 -4.50 118.68 118.60 1vjr s LEU 49 Ca 0.07 -1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1vjr s LEU 49 Cb 0.11 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 1vjr s LEU 49 CO 0.51 -0.46 0.84 -0.83 0.23 0.00 0.00 176.35 176.64 1vjr s GLY 50 N -3.16 1.55 0.31 -3.19 0.00 -1.26 -4.81 107.32 96.77 1vjr s GLY 50 Ca 0.19 -0.57 0.08 0.00 0.00 0.00 0.00 44.72 44.42 1vjr s GLY 50 CO 0.01 -0.36 1.68 0.00 0.00 0.00 0.00 173.10 174.43 1vjr h ALA 51 N 0.04 1.62 0.00 3.20 0.00 -1.95 -0.10 119.26 122.08 1vjr h ALA 51 Ca -0.46 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1vjr h ALA 51 Cb 1.23 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1vjr h ALA 51 CO 0.61 -0.45 -0.28 1.96 0.00 0.00 0.00 179.25 181.09 1vjr h GLN 52 N 0.35 0.00 -0.48 0.00 1.08 -1.92 -0.11 115.11 114.03 1vjr h GLN 52 Ca 0.63 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.75 1vjr h GLN 52 Cb 1.31 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.72 1vjr h GLN 52 CO -0.58 0.28 -0.02 -0.44 -0.95 0.00 0.00 178.83 177.12 1vjr h ASP 53 N 0.00 0.77 0.72 1.46 3.32 -1.39 -0.73 116.42 120.58 1vjr h ASP 53 Ca -0.00 -0.19 -0.21 0.00 0.02 0.00 0.00 57.03 56.64 1vjr h ASP 53 Cb 0.52 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1vjr h ASP 53 CO 0.04 0.85 -0.96 1.88 -1.72 0.00 0.00 179.24 179.33 1vjr h TYR 54 N 0.75 0.21 -0.25 4.55 0.05 -1.18 -1.43 116.97 119.67 1vjr h TYR 54 Ca 0.14 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1vjr h TYR 54 Cb 0.48 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1vjr h TYR 54 CO 0.03 1.01 0.16 0.28 -1.05 0.00 0.00 178.16 178.58 1vjr h VAL 55 N 0.06 1.09 -0.52 -2.88 2.07 -0.80 -1.52 116.25 113.75 1vjr h VAL 55 Ca -0.05 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1vjr h VAL 55 Cb 1.63 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1vjr h VAL 55 CO 0.14 0.09 0.30 -0.09 0.02 0.00 0.00 177.57 178.02 1vjr h ARG 56 N 0.32 0.57 -0.23 1.57 2.43 -1.07 -0.27 114.38 117.70 1vjr h ARG 56 Ca 0.09 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1vjr h ARG 56 Cb 0.00 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1vjr h ARG 56 CO -0.02 0.38 0.14 -0.22 -1.51 0.00 0.00 179.97 178.74 1vjr h LYS 57 N 0.59 0.28 -0.15 0.20 3.64 -0.92 -0.71 116.57 119.49 1vjr h LYS 57 Ca 0.22 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1vjr h LYS 57 Cb 0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1vjr h LYS 57 CO -0.12 0.18 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.14 1vjr h LEU 58 N 0.29 -0.13 -1.17 5.20 3.38 -1.04 -2.68 115.31 119.16 1vjr h LEU 58 Ca 0.09 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1vjr h LEU 58 Cb -0.01 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1vjr h LEU 58 CO -0.04 -0.05 0.58 0.03 0.09 0.00 0.00 178.44 179.05 1vjr h ARG 59 N 0.00 0.97 -2.26 1.13 3.08 -0.69 -1.81 114.38 114.81 1vjr h ARG 59 Ca 0.07 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1vjr h ARG 59 Cb 0.11 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1vjr h ARG 59 CO -0.15 0.64 0.02 0.09 -1.07 0.00 0.00 179.97 179.50 1vjr n ASN 60 N -4.49 2.73 -0.78 7.04 4.13 -0.30 -3.87 115.26 119.71 1vjr n ASN 60 Ca 0.14 -1.88 0.04 0.00 1.68 0.00 0.00 54.58 54.56 1vjr n ASN 60 Cb 0.21 -0.66 0.08 0.00 -1.54 0.00 0.00 39.78 37.86 1vjr n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vjr n GLY 62 N 2.28 2.43 3.26 7.41 0.00 -1.11 -5.09 105.19 114.37 1vjr n GLY 62 Ca 0.12 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1vjr n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vjr s VAL 63 N -1.20 4.01 -0.52 1.61 1.01 -0.70 -5.05 120.40 119.56 1vjr s VAL 63 Ca 0.25 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.64 1vjr s VAL 63 Cb 0.26 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1vjr s VAL 63 CO -0.07 -0.40 0.97 -0.62 0.00 0.00 0.00 175.10 174.99 1vjr s ASP 64 N 1.82 6.42 0.09 3.32 2.15 -1.26 -2.85 116.67 126.37 1vjr s ASP 64 Ca 0.02 -0.09 0.09 0.00 0.43 0.00 0.00 52.55 53.00 1vjr s ASP 64 Cb -0.22 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 1vjr s ASP 64 CO 0.02 -1.19 -0.22 0.68 -0.17 0.00 0.00 175.17 174.29 1vjr s VAL 65 N 4.01 1.85 1.03 1.11 -7.23 -1.26 -5.09 120.40 114.81 1vjr s VAL 65 Ca 0.35 -1.51 -0.12 0.00 -1.81 0.00 0.00 61.98 58.88 1vjr s VAL 65 Cb -0.11 -1.65 0.20 0.00 0.56 0.00 0.00 36.38 35.39 1vjr s VAL 65 CO 0.23 0.05 1.08 -2.16 -0.31 0.00 0.00 175.10 173.99 1vjr s PRO 66 N -1.76 0.21 0.49 4.82 0.04 -1.26 -4.92 135.00 132.61 1vjr s PRO 66 Ca 0.09 0.68 0.21 0.00 0.04 0.00 0.00 61.00 62.01 1vjr s PRO 66 Cb -0.10 -1.70 1.25 0.00 0.04 0.00 0.00 34.50 34.00 1vjr s PRO 66 CO 0.04 -2.92 2.05 -0.44 0.04 0.00 0.00 177.00 175.77 1vjr h ASP 67 N -2.04 0.00 -0.42 6.66 3.32 -2.00 -2.80 116.42 119.15 1vjr h ASP 67 Ca -0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1vjr h ASP 67 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1vjr h ASP 67 CO 0.55 0.14 0.00 -0.90 -1.72 0.00 0.00 179.24 177.30 1vjr n ASP 68 N -4.04 2.47 0.09 6.45 5.75 -1.26 -4.12 116.55 121.89 1vjr n ASP 68 Ca -0.02 -1.95 0.13 0.00 -0.01 0.00 0.00 54.79 52.93 1vjr n ASP 68 Cb 0.22 -0.28 0.45 0.00 -1.03 0.00 0.00 41.12 40.48 1vjr n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vjr n ALA 69 N 0.85 2.12 -2.33 2.12 0.00 -1.06 -4.76 120.51 117.45 1vjr n ALA 69 Ca 0.16 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 1vjr n ALA 69 Cb 0.41 -1.44 -0.16 0.00 0.00 0.00 0.00 19.45 18.26 1vjr n ALA 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vjr s VAL 70 N -3.13 2.13 0.01 0.00 1.01 -1.26 0.36 120.40 119.52 1vjr s VAL 70 Ca 0.09 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1vjr s VAL 70 Cb 0.12 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1vjr s VAL 70 CO 0.52 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 175.37 1vjr s VAL 71 N -0.66 0.70 0.39 2.92 1.01 0.45 -4.87 120.40 120.34 1vjr s VAL 71 Ca 0.11 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1vjr s VAL 71 Cb -0.10 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.60 1vjr s VAL 71 CO -0.00 0.09 0.03 0.42 0.00 0.00 0.00 175.10 175.64 1vjr s THR 72 N -0.43 1.56 0.58 3.92 -4.23 -1.26 -1.73 115.64 114.05 1vjr s THR 72 Ca 0.01 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.79 1vjr s THR 72 Cb -0.05 -2.82 0.34 0.00 1.34 0.00 0.00 72.50 71.31 1vjr s THR 72 CO 0.00 0.00 2.24 0.77 -0.54 0.00 0.00 174.62 177.09 1vjr h SER 73 N 1.86 0.00 0.36 3.99 4.64 -1.49 -1.94 113.55 120.97 1vjr h SER 73 Ca -0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1vjr h SER 73 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vjr h SER 73 CO 0.75 0.00 -0.17 1.23 -0.87 0.00 0.00 176.83 177.77 1vjr h GLY 74 N 0.00 -0.50 1.18 -0.77 0.00 -1.87 0.39 103.07 101.49 1vjr h GLY 74 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1vjr h GLY 74 CO -0.00 -0.18 0.31 0.83 0.00 0.00 0.00 176.54 177.50 1vjr h GLU 75 N -0.64 1.06 -0.26 4.80 3.07 -1.88 0.10 114.58 120.83 1vjr h GLU 75 Ca -0.05 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 58.66 1vjr h GLU 75 Cb 0.46 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1vjr h GLU 75 CO 0.08 0.84 0.13 0.82 -1.40 0.00 0.00 179.01 179.48 1vjr h ILE 76 N 1.04 1.00 -0.23 3.13 1.08 -1.18 -0.61 117.51 121.74 1vjr h ILE 76 Ca 0.25 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1vjr h ILE 76 Cb 0.16 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1vjr h ILE 76 CO -0.03 0.05 0.09 0.74 -0.69 0.00 0.00 178.15 178.31 1vjr h THR 77 N 0.28 1.17 -0.64 -0.27 2.02 -0.68 -0.19 112.91 114.60 1vjr h THR 77 Ca 0.11 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1vjr h THR 77 Cb 0.03 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1vjr h THR 77 CO -0.07 0.17 0.06 0.00 0.37 0.00 0.00 175.52 176.05 1vjr h ALA 78 N 0.93 0.91 -0.40 6.16 0.00 -0.62 -2.85 119.26 123.39 1vjr h ALA 78 Ca 0.08 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1vjr h ALA 78 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1vjr h ALA 78 CO -0.01 0.66 -0.29 1.49 0.00 0.00 0.00 179.25 181.11 1vjr h GLU 79 N 1.00 0.90 -0.99 0.00 4.81 -1.04 -1.69 114.58 117.56 1vjr h GLU 79 Ca 0.19 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1vjr h GLU 79 Cb 0.48 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1vjr h GLU 79 CO 0.02 1.09 0.00 1.58 -0.73 0.00 0.00 179.01 180.97 1vjr n HIS 80 N -4.14 0.00 0.00 0.92 -0.00 -0.09 -0.93 115.22 110.98 1vjr n HIS 80 Ca -0.02 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.09 1vjr n HIS 80 Cb 0.49 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 1vjr n HIS 80 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1vjr n LEU 82 N 0.60 0.00 0.02 0.27 7.94 -0.64 -1.50 117.00 123.69 1vjr n LEU 82 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 1vjr n LEU 82 Cb 0.11 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.98 1vjr n LEU 82 CO 0.00 0.00 0.82 0.50 -1.11 0.00 0.00 177.39 177.60 1vjr h LYS 83 N 0.00 0.02 0.00 1.96 3.64 -1.30 -1.25 116.57 119.64 1vjr h LYS 83 Ca 0.00 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.11 1vjr h LYS 83 Cb 0.00 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1vjr h LYS 83 CO 0.00 0.12 -1.58 0.00 -2.27 0.00 0.00 179.45 175.72 1vjr h ARG 84 N -0.09 0.00 0.00 1.90 2.47 -1.53 -3.40 114.38 113.74 1vjr h ARG 84 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1vjr h ARG 84 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1vjr h ARG 84 CO -0.00 0.52 0.00 1.19 0.56 0.00 0.00 179.97 182.24 1vjr n PHE 85 N -3.06 0.00 -4.23 3.04 3.72 -1.25 -5.12 117.46 110.56 1vjr n PHE 85 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1vjr n PHE 85 Cb 1.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 1vjr n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vjr n GLY 86 N 0.53 -0.53 3.68 1.37 0.00 -0.47 -4.77 105.19 105.00 1vjr n GLY 86 Ca 0.00 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1vjr n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vjr s ARG 87 N 0.00 4.40 0.05 1.61 0.52 -1.26 -3.82 118.95 120.45 1vjr s ARG 87 Ca 0.00 1.36 0.06 0.00 -0.52 0.00 0.00 55.73 56.63 1vjr s ARG 87 Cb 0.00 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 1vjr s ARG 87 CO 0.00 -0.34 -0.11 0.00 0.02 0.00 0.00 175.30 174.87 1vjr s ARG 89 N -1.69 4.10 0.06 0.00 0.52 -1.26 -0.60 118.95 120.09 1vjr s ARG 89 Ca 0.18 0.46 0.05 0.00 -0.52 0.00 0.00 55.73 55.90 1vjr s ARG 89 Cb -0.11 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 1vjr s ARG 89 CO 0.09 -0.37 -0.15 0.96 0.02 0.00 0.00 175.30 175.86 1vjr s ILE 90 N 2.35 1.15 -0.27 1.52 -4.36 -0.29 -0.10 121.20 121.21 1vjr s ILE 90 Ca 0.24 -1.23 -0.12 0.00 -0.26 0.00 0.00 60.65 59.28 1vjr s ILE 90 Cb -0.16 -1.09 -0.05 0.00 1.25 0.00 0.00 42.46 42.42 1vjr s ILE 90 CO 0.09 -0.15 0.21 0.12 0.24 0.00 0.00 174.94 175.46 1vjr s PHE 91 N -1.14 3.24 -0.19 1.37 2.19 0.53 -1.19 117.98 122.78 1vjr s PHE 91 Ca -0.00 0.18 -0.04 0.00 0.33 0.00 0.00 56.93 57.40 1vjr s PHE 91 Cb -0.09 -2.39 -0.02 0.00 -1.31 0.00 0.00 43.02 39.21 1vjr s PHE 91 CO 0.02 -0.14 -0.04 -1.17 1.83 0.00 0.00 175.22 175.72 1vjr s LEU 92 N 1.71 3.00 -0.84 6.12 2.96 -1.26 -0.36 118.68 130.02 1vjr s LEU 92 Ca 0.08 -0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 53.52 1vjr s LEU 92 Cb -0.16 -1.75 0.16 0.00 0.50 0.00 0.00 46.19 44.94 1vjr s LEU 92 CO 0.10 0.05 0.93 -0.76 -1.32 0.00 0.00 176.35 175.35 1vjr s LEU 93 N 1.06 5.72 0.18 -0.68 1.02 0.42 -4.98 118.68 121.41 1vjr s LEU 93 Ca 0.01 -2.18 -0.23 0.00 0.02 0.00 0.00 54.13 51.75 1vjr s LEU 93 Cb -0.15 -2.32 0.06 0.00 0.02 0.00 0.00 46.19 43.81 1vjr s LEU 93 CO 0.00 -0.90 0.69 -0.83 0.02 0.00 0.00 176.35 175.34 1vjr s GLY 94 N 3.09 -0.43 0.91 -3.19 0.00 -1.26 -0.50 107.32 105.94 1vjr s GLY 94 Ca 0.24 0.30 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 1vjr s GLY 94 CO -0.07 0.10 1.09 -0.51 0.00 0.00 0.00 173.10 173.71 1vjr s THR 95 N -3.70 2.60 0.38 0.90 -4.23 -1.26 -4.78 115.64 105.55 1vjr s THR 95 Ca 0.05 0.20 0.11 0.00 -1.18 0.00 0.00 61.69 60.86 1vjr s THR 95 Cb -0.02 -2.64 0.33 0.00 1.34 0.00 0.00 72.50 71.51 1vjr s THR 95 CO -0.06 -0.26 1.89 -0.65 -0.54 0.00 0.00 174.62 175.01 1vjr h PRO 96 N -1.62 0.60 -0.45 3.99 0.11 -1.98 0.17 132.00 132.83 1vjr h PRO 96 Ca -0.50 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1vjr h PRO 96 Cb 1.28 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1vjr h PRO 96 CO 0.54 0.40 0.19 1.96 -0.21 0.00 0.00 178.00 180.87 1vjr h GLN 97 N 0.62 0.66 -0.53 1.05 7.50 -1.92 -1.67 115.11 120.81 1vjr h GLN 97 Ca 0.41 -0.12 -0.07 0.00 0.50 0.00 0.00 58.65 59.38 1vjr h GLN 97 Cb 0.72 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.11 1vjr h GLN 97 CO -0.17 0.60 0.04 1.25 -1.50 0.00 0.00 178.83 179.05 1vjr h LEU 98 N 0.58 0.84 -0.42 1.46 5.85 -1.40 -2.31 115.31 119.91 1vjr h LEU 98 Ca 0.15 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1vjr h LEU 98 Cb 0.18 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1vjr h LEU 98 CO -0.01 0.87 0.15 0.50 -0.34 0.00 0.00 178.44 179.61 1vjr h LYS 99 N 0.82 0.30 -0.88 1.25 3.64 -0.76 -1.30 116.57 119.65 1vjr h LYS 99 Ca 0.16 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1vjr h LYS 99 Cb 0.43 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1vjr h LYS 99 CO 0.02 0.20 0.58 0.87 -2.27 0.00 0.00 179.45 178.84 1vjr h LYS 100 N 0.31 0.98 0.03 1.90 1.57 -0.98 -0.94 116.57 119.44 1vjr h LYS 100 Ca 0.20 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1vjr h LYS 100 Cb 0.18 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1vjr h LYS 100 CO -0.20 0.65 -0.14 0.28 -0.57 0.00 0.00 179.45 179.47 1vjr h VAL 101 N 1.01 0.66 -0.55 0.50 2.07 -0.72 0.41 116.25 119.62 1vjr h VAL 101 Ca 0.37 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.84 1vjr h VAL 101 Cb 0.17 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1vjr h VAL 101 CO -0.13 0.00 0.13 -0.26 0.02 0.00 0.00 177.57 177.33 1vjr h PHE 102 N -0.25 0.88 0.00 1.57 -1.00 -0.87 -2.30 116.94 114.97 1vjr h PHE 102 Ca 0.04 -0.08 -0.08 0.00 2.81 0.00 0.00 57.97 60.66 1vjr h PHE 102 Cb 0.30 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1vjr h PHE 102 CO -0.18 0.74 -0.36 0.93 -1.61 0.00 0.00 178.31 177.82 1vjr h GLU 103 N 0.82 0.00 0.00 1.51 5.08 -0.94 -2.21 114.58 118.84 1vjr h GLU 103 Ca 0.18 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1vjr h GLU 103 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1vjr h GLU 103 CO -0.00 0.36 -0.29 0.00 -1.00 0.00 0.00 179.01 178.09 1vjr h ALA 104 N 1.64 1.09 -0.32 3.43 0.00 -0.33 -1.59 119.26 123.17 1vjr h ALA 104 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1vjr h ALA 104 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1vjr h ALA 104 CO 0.05 0.36 0.00 0.66 0.00 0.00 0.00 179.25 180.32 1vjr n TYR 105 N -3.57 0.57 -0.95 0.00 4.02 -0.87 -4.91 117.16 111.44 1vjr n TYR 105 Ca -0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 1vjr n TYR 105 Cb 0.43 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1vjr n TYR 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vjr n GLY 106 N 0.86 0.65 3.84 2.72 0.00 -0.60 -4.88 105.19 107.79 1vjr n GLY 106 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1vjr n GLY 106 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vjr s HIS 107 N -2.54 3.37 -0.07 1.61 3.76 -0.94 -4.44 115.29 116.04 1vjr s HIS 107 Ca 0.00 1.43 0.04 0.00 -0.15 0.00 0.00 55.06 56.38 1vjr s HIS 107 Cb 0.00 -2.83 -0.00 0.00 1.11 0.00 0.00 32.58 30.86 1vjr s HIS 107 CO 0.00 -0.67 -0.21 0.08 -0.85 0.00 0.00 174.74 173.09 1vjr s VAL 108 N -2.77 1.76 -0.26 -0.90 1.01 0.23 -4.14 120.40 115.33 1vjr s VAL 108 Ca 0.59 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 1vjr s VAL 108 Cb -0.12 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1vjr s VAL 108 CO 0.40 0.50 0.97 -0.63 0.00 0.00 0.00 175.10 176.34 1vjr s ILE 109 N 0.19 4.69 -0.24 2.22 1.09 -1.26 -1.13 121.20 126.76 1vjr s ILE 109 Ca -0.11 1.75 -0.03 0.00 -1.10 0.00 0.00 60.65 61.16 1vjr s ILE 109 Cb -0.15 -4.27 0.08 0.00 -1.06 0.00 0.00 42.46 37.05 1vjr s ILE 109 CO 0.05 -0.24 0.07 -0.62 -0.10 0.00 0.00 174.94 174.10 1vjr s ASP 110 N 1.40 3.26 0.25 3.58 -1.08 -0.34 -4.90 116.67 118.83 1vjr s ASP 110 Ca 0.41 -1.09 0.24 0.00 -0.52 0.00 0.00 52.55 51.59 1vjr s ASP 110 Cb -0.14 -0.61 0.37 0.00 -1.46 0.00 0.00 42.92 41.08 1vjr s ASP 110 CO 0.09 -0.36 1.44 -0.33 0.52 0.00 0.00 175.17 176.54 1vjr h GLU 111 N 8.24 0.00 0.08 4.34 5.08 -1.94 -2.99 114.58 127.40 1vjr h GLU 111 Ca -0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1vjr h GLU 111 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1vjr h GLU 111 CO 0.38 0.00 -0.04 1.49 -1.00 0.00 0.00 179.01 179.84 1vjr h GLU 112 N 0.00 -0.11 -2.13 2.33 4.57 -1.94 -3.41 114.58 113.88 1vjr h GLU 112 Ca 0.00 0.01 -0.55 0.00 -1.18 0.00 0.00 59.36 57.64 1vjr h GLU 112 Cb 0.87 0.02 -0.41 0.00 -0.16 0.00 0.00 28.75 29.08 1vjr h GLU 112 CO 0.00 0.24 -0.89 0.09 -1.18 0.00 0.00 179.01 177.27 1vjr n ASN 113 N -4.82 2.49 -4.83 1.04 4.13 -1.26 -5.10 115.26 106.91 1vjr n ASN 113 Ca -0.05 -3.26 -0.31 0.00 1.68 0.00 0.00 54.58 52.64 1vjr n ASN 113 Cb 0.20 -0.61 0.04 0.00 -1.54 0.00 0.00 39.78 37.86 1vjr n ASN 113 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1vjr s PRO 114 N -2.58 3.10 -0.01 3.52 0.04 -1.13 -4.88 135.00 133.06 1vjr s PRO 114 Ca 0.42 0.89 0.15 0.00 0.04 0.00 0.00 61.00 62.50 1vjr s PRO 114 Cb 0.26 -2.01 -0.18 0.00 0.04 0.00 0.00 34.50 32.61 1vjr s PRO 114 CO -0.09 -0.97 0.55 -0.25 0.04 0.00 0.00 177.00 176.28 1vjr n ASP 115 N -3.03 0.91 -4.12 6.66 8.00 0.85 -4.95 116.55 120.88 1vjr n ASP 115 Ca 0.07 -0.63 -0.22 0.00 0.71 0.00 0.00 54.79 54.73 1vjr n ASP 115 Cb 0.54 1.18 -0.15 0.00 -0.02 0.00 0.00 41.12 42.67 1vjr n ASP 115 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1vjr s PHE 116 N -2.57 1.27 -0.25 1.24 0.40 -1.06 -2.63 117.98 114.37 1vjr s PHE 116 Ca 0.03 -0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.01 1vjr s PHE 116 Cb 0.11 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1vjr s PHE 116 CO 0.61 -0.01 0.12 0.08 0.70 0.00 0.00 175.22 176.73 1vjr s VAL 117 N -0.42 4.80 -0.20 -0.44 1.01 0.46 -0.34 120.40 125.26 1vjr s VAL 117 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1vjr s VAL 117 Cb -0.06 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.08 1vjr s VAL 117 CO -0.00 0.32 -0.15 -0.69 0.00 0.00 0.00 175.10 174.57 1vjr s VAL 118 N 1.53 2.44 -0.21 2.92 1.01 0.52 -0.77 120.40 127.85 1vjr s VAL 118 Ca 0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1vjr s VAL 118 Cb -0.15 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1vjr s VAL 118 CO 0.06 0.48 0.01 -0.22 0.00 0.00 0.00 175.10 175.43 1vjr s LEU 119 N 1.34 3.28 0.00 3.92 2.96 0.78 -0.43 118.68 130.52 1vjr s LEU 119 Ca 0.05 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1vjr s LEU 119 Cb -0.14 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1vjr s LEU 119 CO -0.10 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 1vjr n GLY 120 N 4.35 4.04 3.57 7.98 0.00 0.35 -0.80 105.19 124.68 1vjr n GLY 120 Ca -0.17 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.36 1vjr n GLY 120 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vjr s PHE 121 N -0.39 2.09 -1.21 1.61 2.19 -1.26 -4.52 117.98 116.49 1vjr s PHE 121 Ca 0.00 0.08 -0.18 0.00 0.33 0.00 0.00 56.93 57.16 1vjr s PHE 121 Cb 0.00 -4.17 0.10 0.00 -1.31 0.00 0.00 43.02 37.63 1vjr s PHE 121 CO 0.00 -1.45 1.57 0.34 1.83 0.00 0.00 175.22 177.51 1vjr s ASP 122 N 6.34 6.84 0.00 6.13 2.15 -1.26 -4.08 116.67 132.79 1vjr s ASP 122 Ca 0.65 -2.43 0.10 0.00 0.43 0.00 0.00 52.55 51.31 1vjr s ASP 122 Cb -0.01 -2.52 0.45 0.00 -0.30 0.00 0.00 42.92 40.54 1vjr s ASP 122 CO 0.08 -1.10 1.31 0.29 -0.17 0.00 0.00 175.17 175.58 1vjr n LYS 123 N 7.60 0.03 -0.66 4.34 5.02 -1.26 -1.38 118.16 131.85 1vjr n LYS 123 Ca 0.42 0.30 0.06 0.00 -2.02 0.00 0.00 58.31 57.07 1vjr n LYS 123 Cb 0.46 -1.50 0.31 0.00 -0.02 0.00 0.00 35.03 34.28 1vjr n LYS 123 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vjr n THR 124 N -1.46 2.52 -1.63 -0.18 -2.24 -1.26 -5.03 114.28 105.00 1vjr n THR 124 Ca 0.03 -1.74 -0.47 0.00 -2.27 0.00 0.00 64.05 59.59 1vjr n THR 124 Cb 0.11 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 1vjr n THR 124 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1vjr n LEU 125 N -0.13 2.39 -4.54 3.22 7.94 -0.48 -5.00 117.00 120.41 1vjr n LEU 125 Ca 0.26 1.13 -0.26 0.00 -1.11 0.00 0.00 56.01 56.03 1vjr n LEU 125 Cb 1.05 -1.33 -0.11 0.00 0.53 0.00 0.00 43.42 43.56 1vjr n LEU 125 CO 0.24 -0.80 -0.37 0.42 -1.11 0.00 0.00 177.39 175.77 1vjr s THR 126 N 0.10 2.13 0.17 1.96 -4.23 -1.26 -5.05 115.64 109.45 1vjr s THR 126 Ca 0.73 -2.17 -0.15 0.00 -1.18 0.00 0.00 61.69 58.92 1vjr s THR 126 Cb -0.76 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 70.47 1vjr s THR 126 CO 0.48 -0.19 1.75 0.22 -0.54 0.00 0.00 174.62 176.34 1vjr h TYR 127 N 2.02 0.24 -0.73 3.99 3.20 -1.99 -1.18 116.97 122.52 1vjr h TYR 127 Ca -0.42 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.49 1vjr h TYR 127 Cb 1.25 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 1vjr h TYR 127 CO 0.75 0.08 0.48 1.49 -1.64 0.00 0.00 178.16 179.32 1vjr h GLU 128 N 0.29 0.93 -0.52 1.82 4.81 -1.99 0.13 114.58 120.05 1vjr h GLU 128 Ca 0.19 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1vjr h GLU 128 Cb 0.19 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1vjr h GLU 128 CO -0.21 0.61 0.15 -0.09 -0.73 0.00 0.00 179.01 178.75 1vjr h ARG 129 N 0.95 0.82 -0.53 1.92 2.43 -1.92 -1.04 114.38 117.01 1vjr h ARG 129 Ca 0.28 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1vjr h ARG 129 Cb -0.06 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.33 1vjr h ARG 129 CO -0.08 0.77 0.26 1.25 -1.51 0.00 0.00 179.97 180.65 1vjr h LEU 130 N 0.72 0.35 -0.04 3.80 5.85 -0.42 -1.98 115.31 123.59 1vjr h LEU 130 Ca 0.17 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1vjr h LEU 130 Cb 0.29 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1vjr h LEU 130 CO -0.00 0.24 -0.09 0.50 -0.34 0.00 0.00 178.44 178.75 1vjr h LYS 131 N 0.49 -0.13 -0.76 1.25 3.64 -0.43 -1.14 116.57 119.49 1vjr h LYS 131 Ca 0.24 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 1vjr h LYS 131 Cb 0.18 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1vjr h LYS 131 CO -0.18 -0.08 0.48 0.87 -2.27 0.00 0.00 179.45 178.26 1vjr h LYS 132 N -0.13 0.89 -0.49 1.90 1.57 -1.02 -0.44 116.57 118.85 1vjr h LYS 132 Ca 0.05 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1vjr h LYS 132 Cb 0.20 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1vjr h LYS 132 CO -0.12 0.59 0.31 0.00 -0.57 0.00 0.00 179.45 179.66 1vjr h ALA 133 N 1.34 0.63 -0.33 3.86 0.00 -1.01 -1.55 119.26 122.20 1vjr h ALA 133 Ca 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1vjr h ALA 133 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1vjr h ALA 133 CO -0.13 0.03 0.09 0.00 0.00 0.00 0.00 179.25 179.24 1vjr h ILE 135 N 0.37 0.87 -0.48 0.00 2.04 -0.86 -1.10 117.51 118.35 1vjr h ILE 135 Ca 0.10 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1vjr h ILE 135 Cb 0.27 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1vjr h ILE 135 CO -0.00 0.11 -0.11 -0.07 0.00 0.00 0.00 178.15 178.08 1vjr h LEU 136 N 0.62 0.88 -1.15 1.44 3.38 -0.92 -2.75 115.31 116.81 1vjr h LEU 136 Ca 0.34 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1vjr h LEU 136 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1vjr h LEU 136 CO -0.25 1.00 -0.28 -0.07 0.09 0.00 0.00 178.44 178.93 1vjr h LEU 137 N 0.79 0.24 -0.62 1.67 3.38 -0.24 -0.88 115.31 119.65 1vjr h LEU 137 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1vjr h LEU 137 Cb 0.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1vjr h LEU 137 CO 0.04 0.52 0.00 0.03 0.09 0.00 0.00 178.44 179.13 1vjr h ARG 138 N 0.22 0.00 -0.05 1.13 3.08 -0.99 -0.33 114.38 117.45 1vjr h ARG 138 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1vjr h ARG 138 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1vjr h ARG 138 CO 0.04 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.57 1vjr n LYS 139 N -2.39 1.60 -0.69 0.04 5.02 -0.35 -4.94 118.16 116.45 1vjr n LYS 139 Ca 0.03 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 1vjr n LYS 139 Cb 0.30 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1vjr n LYS 139 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vjr n GLY 140 N 1.14 0.60 3.70 0.72 0.00 -0.13 -5.03 105.19 106.18 1vjr n GLY 140 Ca 0.19 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1vjr n GLY 140 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vjr n LYS 141 N -2.69 1.29 -2.06 1.61 4.76 -1.15 -4.95 118.16 114.98 1vjr n LYS 141 Ca 0.00 0.49 -0.41 0.00 -2.87 0.00 0.00 58.31 55.52 1vjr n LYS 141 Cb 0.00 -2.44 -0.02 0.00 -1.84 0.00 0.00 35.03 30.73 1vjr n LYS 141 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1vjr s PHE 142 N -1.37 2.98 -0.18 2.13 5.36 -1.08 -4.76 117.98 121.06 1vjr s PHE 142 Ca 0.76 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 58.05 1vjr s PHE 142 Cb -0.41 -3.75 0.04 0.00 -0.34 0.00 0.00 43.02 38.56 1vjr s PHE 142 CO 0.46 -2.15 -0.09 -0.47 -1.46 0.00 0.00 175.22 171.51 1vjr s TYR 143 N -0.93 2.15 -0.06 10.12 5.04 -1.26 -0.40 117.35 132.00 1vjr s TYR 143 Ca 0.51 -1.38 0.04 0.00 -2.44 0.00 0.00 57.07 53.80 1vjr s TYR 143 Cb -0.41 -1.52 -0.00 0.00 0.35 0.00 0.00 41.96 40.38 1vjr s TYR 143 CO 0.52 -0.69 -0.19 0.42 -1.34 0.00 0.00 175.55 174.27 1vjr s ILE 144 N 1.49 1.60 -0.00 3.14 1.01 0.05 0.85 121.20 129.35 1vjr s ILE 144 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1vjr s ILE 144 Cb -0.16 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1vjr s ILE 144 CO -0.08 0.46 -0.12 0.00 0.00 0.00 0.00 174.94 175.20 1vjr s ALA 145 N 0.21 2.80 0.31 9.38 0.00 -0.03 -0.16 121.76 134.28 1vjr s ALA 145 Ca -0.10 -1.06 0.12 0.00 0.00 0.00 0.00 51.96 50.93 1vjr s ALA 145 Cb -0.14 -0.98 0.57 0.00 0.00 0.00 0.00 23.12 22.57 1vjr s ALA 145 CO 0.04 0.59 1.73 1.79 0.00 0.00 0.00 175.76 179.91 1vjr h THR 146 N 3.98 1.30 -2.34 0.00 1.35 -1.27 -1.60 112.91 114.32 1vjr h THR 146 Ca -0.48 -1.66 0.10 0.00 -0.55 0.00 0.00 66.41 63.83 1vjr h THR 146 Cb 1.16 1.90 -0.15 0.00 -1.73 0.00 0.00 68.15 69.34 1vjr h THR 146 CO 0.51 0.47 0.47 -1.38 -0.25 0.00 0.00 175.52 175.34 1vjr s HIS 147 N -3.89 -0.35 -0.42 4.73 -3.43 -1.26 0.10 115.29 110.77 1vjr s HIS 147 Ca -0.02 0.20 0.23 0.00 -0.80 0.00 0.00 55.06 54.67 1vjr s HIS 147 Cb 0.13 0.55 0.07 0.00 -1.43 0.00 0.00 32.58 31.90 1vjr s HIS 147 CO 0.74 -0.59 1.06 -0.35 -2.00 0.00 0.00 174.74 173.60 1vjr n PRO 148 N -0.27 0.45 -1.66 -0.38 -0.04 -1.26 -4.52 135.00 127.32 1vjr n PRO 148 Ca -0.09 0.05 -0.56 0.00 -0.04 0.00 0.00 63.50 62.86 1vjr n PRO 148 Cb 0.62 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 1vjr n PRO 148 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1vjr n ASP 149 N -2.32 1.92 -0.03 3.54 9.92 -1.26 -3.50 116.55 124.82 1vjr n ASP 149 Ca 0.01 1.10 -0.17 0.00 -0.53 0.00 0.00 54.79 55.20 1vjr n ASP 149 Cb 0.49 -1.14 -0.07 0.00 -0.64 0.00 0.00 41.12 39.77 1vjr n ASP 149 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1vjr h ILE 150 N 4.36 1.27 -3.16 0.53 2.04 -1.89 0.35 117.51 121.02 1vjr h ILE 150 Ca -0.47 -1.92 -0.41 0.00 1.00 0.00 0.00 64.86 63.05 1vjr h ILE 150 Cb 1.33 1.91 -0.14 0.00 -0.74 0.00 0.00 36.82 39.18 1vjr h ILE 150 CO 0.87 0.61 -0.64 0.20 0.00 0.00 0.00 178.15 179.20 1vjr s ASN 151 N -7.08 2.02 -0.04 1.72 0.01 -1.26 -0.32 114.94 109.99 1vjr s ASN 151 Ca -0.10 -1.27 0.03 0.00 -0.71 0.00 0.00 52.86 50.81 1vjr s ASN 151 Cb 0.09 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.73 1vjr s ASN 151 CO 0.90 -0.54 -0.12 0.00 -1.51 0.00 0.00 177.10 175.83 1vjr s PRO 153 N 0.26 3.46 0.26 0.00 0.02 -1.26 -1.31 135.00 136.43 1vjr s PRO 153 Ca -0.06 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 62.88 1vjr s PRO 153 Cb -0.11 -2.38 0.01 0.00 0.02 0.00 0.00 34.50 32.04 1vjr s PRO 153 CO 0.02 -0.89 0.60 -1.54 -0.33 0.00 0.00 177.00 174.86 1vjr s SER 154 N -1.04 -0.18 0.51 2.53 1.04 -1.08 -4.88 113.70 110.60 1vjr s SER 154 Ca 0.67 -0.76 0.19 0.00 0.48 0.00 0.00 55.95 56.53 1vjr s SER 154 Cb -0.36 0.66 1.26 0.00 0.10 0.00 0.00 66.02 67.68 1vjr s SER 154 CO 0.44 -1.24 2.06 0.11 0.98 0.00 0.00 173.24 175.59 1vjr h LYS 155 N 2.13 0.09 -0.36 4.02 1.57 -2.02 -0.96 116.57 121.03 1vjr h LYS 155 Ca -0.23 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1vjr h LYS 155 Cb 1.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1vjr h LYS 155 CO 0.29 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.62 1vjr n GLU 156 N -4.47 2.06 0.00 3.15 1.02 -1.26 -5.06 120.64 116.08 1vjr n GLU 156 Ca 0.04 -1.62 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 1vjr n GLU 156 Cb 0.32 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1vjr n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vjr n GLY 157 N 1.26 -2.49 3.70 0.62 0.00 -0.37 -4.95 105.19 102.96 1vjr n GLY 157 Ca 0.17 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1vjr n GLY 157 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vjr s PRO 158 N -0.33 4.16 0.06 1.61 0.02 -1.26 -2.62 135.00 136.63 1vjr s PRO 158 Ca 0.00 2.50 0.08 0.00 0.02 0.00 0.00 61.00 63.61 1vjr s PRO 158 Cb 0.00 -3.50 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 1vjr s PRO 158 CO 0.00 -0.78 -0.23 0.14 -0.33 0.00 0.00 177.00 175.80 1vjr s VAL 159 N 2.39 1.87 0.31 3.83 -7.23 -0.43 -4.89 120.40 116.26 1vjr s VAL 159 Ca 0.77 -1.36 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 1vjr s VAL 159 Cb -0.44 -1.63 -0.13 0.00 0.56 0.00 0.00 36.38 34.74 1vjr s VAL 159 CO 0.34 0.21 1.32 -0.81 -0.31 0.00 0.00 175.10 175.85 1vjr n PRO 160 N 1.63 2.11 -0.88 4.82 -0.04 -1.26 -0.43 135.00 140.96 1vjr n PRO 160 Ca -0.17 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1vjr n PRO 160 Cb 0.53 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1vjr n PRO 160 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1vjr n ASP 161 N 1.17 1.36 -0.25 3.54 -0.08 0.57 -4.69 116.55 118.16 1vjr n ASP 161 Ca 0.07 -0.44 0.04 0.00 -1.51 0.00 0.00 54.79 52.95 1vjr n ASP 161 Cb 0.35 0.00 0.17 0.00 2.34 0.00 0.00 41.12 43.98 1vjr n ASP 161 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vjr h ALA 162 N 1.00 1.04 0.00 -1.67 0.00 -1.77 -1.43 119.26 116.43 1vjr h ALA 162 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1vjr h ALA 162 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vjr h ALA 162 CO 0.00 -0.16 -0.07 0.78 0.00 0.00 0.00 179.25 179.80 1vjr h GLY 163 N 0.49 0.00 0.95 0.00 0.00 -0.34 -2.27 103.07 101.91 1vjr h GLY 163 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.58 1vjr h GLY 163 CO -0.36 0.00 -0.45 1.76 0.00 0.00 0.00 176.54 177.49 1vjr h SER 164 N 0.00 0.72 0.00 0.19 0.02 -1.22 -2.27 113.55 110.98 1vjr h SER 164 Ca -0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1vjr h SER 164 Cb 0.13 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1vjr h SER 164 CO 0.01 1.16 0.00 -0.38 -1.14 0.00 0.00 176.83 176.47 1vjr n ILE 165 N -4.21 0.01 0.00 3.27 5.41 -0.86 -2.75 119.36 120.23 1vjr n ILE 165 Ca -0.06 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1vjr n ILE 165 Cb 0.57 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 1vjr n ILE 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vjr n ALA 167 N 1.28 0.00 -0.07 -1.39 0.00 -0.86 -1.18 120.51 118.30 1vjr n ALA 167 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1vjr n ALA 167 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 1vjr n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vjr h ALA 168 N 0.00 0.27 -0.69 0.00 0.00 -1.82 -1.65 119.26 115.37 1vjr h ALA 168 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1vjr h ALA 168 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1vjr h ALA 168 CO 0.00 0.09 0.32 0.82 0.00 0.00 0.00 179.25 180.48 1vjr h ILE 169 N 0.10 1.23 -0.43 0.00 2.04 -1.45 -1.35 117.51 117.65 1vjr h ILE 169 Ca 0.05 -0.68 -0.13 0.00 1.00 0.00 0.00 64.86 65.09 1vjr h ILE 169 Cb 0.56 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1vjr h ILE 169 CO 0.03 0.28 -0.24 -0.08 0.00 0.00 0.00 178.15 178.14 1vjr h GLU 170 N 0.97 0.90 -0.52 2.37 4.81 -1.63 0.19 114.58 121.68 1vjr h GLU 170 Ca 0.24 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1vjr h GLU 170 Cb 0.14 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1vjr h GLU 170 CO -0.03 1.04 0.27 0.00 -0.73 0.00 0.00 179.01 179.56 1vjr h ALA 171 N 0.95 0.67 -0.21 2.92 0.00 -1.05 0.34 119.26 122.87 1vjr h ALA 171 Ca 0.10 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1vjr h ALA 171 Cb 0.80 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vjr h ALA 171 CO 0.07 0.21 -0.63 1.03 0.00 0.00 0.00 179.25 179.93 1vjr h SER 172 N 0.69 0.84 0.00 0.00 0.87 -0.88 -3.37 113.55 111.70 1vjr h SER 172 Ca 0.18 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1vjr h SER 172 Cb 0.09 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1vjr h SER 172 CO -0.03 1.26 -0.74 0.35 -0.53 0.00 0.00 176.83 177.14 1vjr n THR 173 N -3.96 0.00 -0.95 2.23 -2.24 0.63 -4.99 114.28 105.00 1vjr n THR 173 Ca -0.05 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1vjr n THR 173 Cb 0.66 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1vjr n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vjr n GLY 174 N 1.59 0.82 3.84 3.38 0.00 0.12 -4.97 105.19 109.97 1vjr n GLY 174 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1vjr n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vjr s ARG 175 N -0.13 3.33 0.24 1.61 0.52 -1.26 -4.98 118.95 118.29 1vjr s ARG 175 Ca 0.00 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 55.04 1vjr s ARG 175 Cb 0.00 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1vjr s ARG 175 CO 0.00 0.75 0.35 0.15 0.02 0.00 0.00 175.30 176.57 1vjr s LYS 176 N -1.11 3.43 0.66 3.54 1.02 -1.26 -3.69 119.74 122.33 1vjr s LYS 176 Ca 0.16 -0.76 -0.17 0.00 0.02 0.00 0.00 55.97 55.21 1vjr s LYS 176 Cb -0.12 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1vjr s LYS 176 CO 0.05 0.43 1.06 -2.30 -0.92 0.00 0.00 175.35 173.67 1vjr n PRO 177 N -1.39 0.82 0.15 -1.68 -0.02 -1.26 -4.91 135.00 126.71 1vjr n PRO 177 Ca -0.09 0.33 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1vjr n PRO 177 Cb 0.57 -2.29 0.13 0.00 -0.02 0.00 0.00 33.50 31.89 1vjr n PRO 177 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1vjr h ASP 178 N 0.24 0.00 -3.50 2.55 3.32 0.06 -3.45 116.42 115.65 1vjr h ASP 178 Ca -0.49 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.36 1vjr h ASP 178 Cb 1.35 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.61 1vjr h ASP 178 CO 0.50 0.49 -0.51 -0.22 -1.72 0.00 0.00 179.24 177.78 1vjr s LEU 179 N -6.68 0.71 -0.25 1.55 2.96 -1.09 -5.04 118.68 110.85 1vjr s LEU 179 Ca 0.02 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1vjr s LEU 179 Cb 0.09 0.64 0.06 0.00 0.50 0.00 0.00 46.19 47.48 1vjr s LEU 179 CO 0.73 -0.13 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.90 1vjr s ILE 180 N 0.92 1.99 0.15 6.68 1.01 -1.26 -0.85 121.20 129.83 1vjr s ILE 180 Ca -0.07 -1.50 -0.05 0.00 0.00 0.00 0.00 60.65 59.03 1vjr s ILE 180 Cb -0.08 -2.13 -0.13 0.00 0.01 0.00 0.00 42.46 40.13 1vjr s ILE 180 CO -0.05 -0.03 1.38 0.00 0.00 0.00 0.00 174.94 176.24 1vjr h ALA 181 N 7.83 0.48 -3.72 9.38 0.00 -1.33 -3.44 119.26 128.46 1vjr h ALA 181 Ca -0.20 -0.61 -0.38 0.00 0.00 0.00 0.00 54.91 53.72 1vjr h ALA 181 Cb 1.05 -0.04 0.16 0.00 0.00 0.00 0.00 17.79 18.96 1vjr h ALA 181 CO 0.45 0.74 0.34 0.41 0.00 0.00 0.00 179.25 181.19 1vjr n GLY 182 N 0.64 -1.63 3.53 0.00 0.00 0.11 -4.39 105.19 103.45 1vjr n GLY 182 Ca -0.06 -1.68 -0.47 0.00 0.00 0.00 0.00 46.02 43.81 1vjr n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vjr n LYS 183 N -3.64 0.86 -0.74 1.61 5.02 -1.26 -0.82 118.16 119.18 1vjr n LYS 183 Ca 0.15 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.73 1vjr n LYS 183 Cb 0.52 -1.61 0.25 0.00 -0.02 0.00 0.00 35.03 34.18 1vjr n LYS 183 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1vjr n PRO 184 N 1.09 3.35 -1.72 1.97 -0.04 -1.26 -4.52 135.00 133.87 1vjr n PRO 184 Ca 0.14 -2.31 -0.42 0.00 -0.04 0.00 0.00 63.50 60.87 1vjr n PRO 184 Cb 0.27 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 1vjr n PRO 184 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1vjr s ASN 185 N -0.61 6.41 0.05 3.54 3.84 -0.00 -4.31 114.94 123.87 1vjr s ASN 185 Ca 0.41 2.79 0.15 0.00 0.21 0.00 0.00 52.86 56.42 1vjr s ASN 185 Cb 0.32 -2.58 0.64 0.00 -0.55 0.00 0.00 41.25 39.08 1vjr s ASN 185 CO 0.11 -0.99 1.47 -0.81 -2.79 0.00 0.00 177.10 174.09 1vjr n PRO 186 N 5.14 0.04 -0.29 0.43 -0.04 -1.26 -2.94 135.00 136.07 1vjr n PRO 186 Ca 0.17 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 1vjr n PRO 186 Cb 0.37 -1.58 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 1vjr n PRO 186 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1vjr h LEU 187 N 0.00 -0.16 -0.50 1.53 5.85 -1.89 0.02 115.31 120.15 1vjr h LEU 187 Ca 0.00 0.21 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1vjr h LEU 187 Cb 0.24 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 1vjr h LEU 187 CO 0.00 -0.19 -0.19 0.58 -0.34 0.00 0.00 178.44 178.30 1vjr h VAL 188 N 0.15 0.39 -0.34 1.05 2.07 -1.73 0.81 116.25 118.64 1vjr h VAL 188 Ca 0.52 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.98 1vjr h VAL 188 Cb 1.02 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1vjr h VAL 188 CO -0.70 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 177.45 1vjr h VAL 189 N -0.07 1.27 -0.41 2.57 2.07 -1.28 -2.07 116.25 118.32 1vjr h VAL 189 Ca 0.24 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1vjr h VAL 189 Cb 0.44 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1vjr h VAL 189 CO -0.56 0.34 0.13 0.44 0.02 0.00 0.00 177.57 177.95 1vjr h ASP 190 N 0.43 0.12 0.45 0.57 3.32 -0.73 0.16 116.42 120.74 1vjr h ASP 190 Ca 0.09 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1vjr h ASP 190 Cb 0.50 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1vjr h ASP 190 CO 0.02 0.10 -0.32 0.58 -1.72 0.00 0.00 179.24 177.91 1vjr h VAL 191 N 0.29 0.35 -0.55 -1.35 2.07 -0.75 -1.13 116.25 115.18 1vjr h VAL 191 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.76 1vjr h VAL 191 Cb 0.19 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1vjr h VAL 191 CO -0.21 0.00 0.30 0.40 0.02 0.00 0.00 177.57 178.08 1vjr h ILE 192 N -0.75 0.98 -0.78 4.57 2.04 -1.14 0.20 117.51 122.64 1vjr h ILE 192 Ca -0.05 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1vjr h ILE 192 Cb 0.63 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1vjr h ILE 192 CO 0.02 0.10 0.44 -1.28 0.00 0.00 0.00 178.15 177.44 1vjr h SER 193 N 0.57 0.65 -0.10 1.72 0.87 -0.51 -1.50 113.55 115.26 1vjr h SER 193 Ca 0.24 0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.68 1vjr h SER 193 Cb 0.12 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1vjr h SER 193 CO -0.15 0.39 -0.55 -0.08 -0.53 0.00 0.00 176.83 175.91 1vjr h GLU 194 N 0.77 0.54 -0.67 2.24 4.22 -0.26 -0.52 114.58 120.91 1vjr h GLU 194 Ca 0.36 -0.46 0.09 0.00 0.08 0.00 0.00 59.36 59.44 1vjr h GLU 194 Cb 0.28 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 1vjr h GLU 194 CO -0.22 1.08 0.31 -0.22 -2.18 0.00 0.00 179.01 177.78 1vjr h LYS 195 N 0.15 0.52 -0.29 1.92 3.64 -0.34 -2.88 116.57 119.29 1vjr h LYS 195 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1vjr h LYS 195 Cb 1.20 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1vjr h LYS 195 CO 0.11 0.35 0.00 1.19 -2.27 0.00 0.00 179.45 178.83 1vjr n PHE 196 N -4.90 0.37 -3.05 1.91 3.72 -0.59 -5.00 117.46 109.91 1vjr n PHE 196 Ca 0.10 -0.26 -0.22 0.00 -0.05 0.00 0.00 57.45 57.02 1vjr n PHE 196 Cb 0.26 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.84 1vjr n PHE 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vjr n GLY 197 N 1.01 -0.51 3.37 1.37 0.00 -0.24 -5.00 105.19 105.18 1vjr n GLY 197 Ca 0.14 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1vjr n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vjr s VAL 198 N -3.19 3.42 0.46 1.61 1.01 -0.95 -5.04 120.40 117.72 1vjr s VAL 198 Ca 0.32 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 1vjr s VAL 198 Cb -0.14 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 1vjr s VAL 198 CO 0.40 0.46 1.36 -0.81 0.00 0.00 0.00 175.10 176.51 1vjr n PRO 199 N 4.23 2.02 -0.23 2.72 -0.04 -1.26 -4.64 135.00 137.79 1vjr n PRO 199 Ca -0.18 0.72 0.23 0.00 -0.04 0.00 0.00 63.50 64.23 1vjr n PRO 199 Cb 0.52 -2.53 0.59 0.00 -0.04 0.00 0.00 33.50 32.03 1vjr n PRO 199 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1vjr h LYS 200 N 2.02 0.25 0.00 0.54 1.57 -1.95 0.11 116.57 119.11 1vjr h LYS 200 Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1vjr h LYS 200 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1vjr h LYS 200 CO 0.60 0.16 0.00 -1.91 -0.57 0.00 0.00 179.45 177.73 1vjr n GLU 201 N -4.44 0.14 -2.89 3.15 2.13 -1.26 -4.71 120.64 112.76 1vjr n GLU 201 Ca 0.20 0.46 -0.31 0.00 0.66 0.00 0.00 57.16 58.17 1vjr n GLU 201 Cb 0.82 -1.81 -0.03 0.00 0.27 0.00 0.00 31.44 30.69 1vjr n GLU 201 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1vjr n ARG 202 N -2.08 3.80 0.00 5.31 1.74 0.36 -4.79 116.66 121.00 1vjr n ARG 202 Ca 0.01 -4.80 0.00 0.00 -0.77 0.00 0.00 57.85 52.29 1vjr n ARG 202 Cb 0.15 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 1vjr n ARG 202 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vjr n ALA 204 N -0.12 0.00 -3.22 7.54 0.00 -0.81 0.10 120.51 124.00 1vjr n ALA 204 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.82 1vjr n ALA 204 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 1vjr n ALA 204 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vjr s VAL 206 N -4.00 -0.11 0.15 0.00 1.01 0.85 -0.43 120.40 117.86 1vjr s VAL 206 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1vjr s VAL 206 Cb 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1vjr s VAL 206 CO 0.00 0.00 0.34 0.61 0.00 0.00 0.00 175.10 176.05 1vjr n GLY 207 N 4.55 1.49 0.00 4.51 0.00 -0.10 -1.43 105.19 114.22 1vjr n GLY 207 Ca -0.07 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1vjr n GLY 207 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vjr n ASP 208 N -1.16 1.04 -4.42 1.61 5.75 -1.26 -0.51 116.55 117.60 1vjr n ASP 208 Ca -0.03 -1.25 -0.44 0.00 -0.01 0.00 0.00 54.79 53.05 1vjr n ASP 208 Cb 0.24 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 1vjr n ASP 208 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1vjr s ARG 209 N -0.25 3.41 0.12 0.11 1.81 -1.26 -2.50 118.95 120.38 1vjr s ARG 209 Ca 0.00 -1.59 -0.33 0.00 -1.72 0.00 0.00 55.73 52.09 1vjr s ARG 209 Cb 0.00 -4.61 -0.11 0.00 -0.45 0.00 0.00 34.95 29.77 1vjr s ARG 209 CO 0.00 -1.69 1.56 1.25 -0.68 0.00 0.00 175.30 175.74 1vjr h LEU 210 N 10.21 -1.63 0.16 2.53 5.85 -1.93 -0.30 115.31 130.20 1vjr h LEU 210 Ca -0.01 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1vjr h LEU 210 Cb 1.05 0.64 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1vjr h LEU 210 CO 1.08 -0.48 -0.08 0.22 -0.34 0.00 0.00 178.44 178.84 1vjr h TYR 211 N -0.58 -0.20 -0.28 1.25 5.03 -1.93 -3.03 116.97 117.23 1vjr h TYR 211 Ca 0.04 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 1vjr h TYR 211 Cb 0.68 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 1vjr h TYR 211 CO -0.55 0.16 0.02 1.15 -1.32 0.00 0.00 178.16 177.61 1vjr h THR 212 N -0.59 1.25 -0.15 1.81 2.02 -1.97 -1.72 112.91 113.56 1vjr h THR 212 Ca -0.02 -0.87 -0.21 0.00 0.77 0.00 0.00 66.41 66.08 1vjr h THR 212 Cb 0.44 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1vjr h THR 212 CO 0.04 0.28 -0.73 0.44 0.37 0.00 0.00 175.52 175.91 1vjr h ASP 213 N 0.29 0.80 -0.48 4.18 3.32 -1.18 0.60 116.42 123.96 1vjr h ASP 213 Ca 0.08 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1vjr h ASP 213 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1vjr h ASP 213 CO 0.01 1.29 0.18 0.58 -1.72 0.00 0.00 179.24 179.58 1vjr h VAL 214 N 0.48 1.21 -0.60 -1.35 2.07 -1.56 -2.17 116.25 114.33 1vjr h VAL 214 Ca -0.04 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 1vjr h VAL 214 Cb 1.34 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1vjr h VAL 214 CO 0.14 0.25 0.08 0.50 0.02 0.00 0.00 177.57 178.57 1vjr h LYS 215 N 0.63 0.99 -0.23 1.57 1.63 -1.14 -0.14 116.57 119.87 1vjr h LYS 215 Ca 0.16 -0.26 0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1vjr h LYS 215 Cb 0.22 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1vjr h LYS 215 CO -0.01 0.92 0.03 1.25 -3.45 0.00 0.00 179.45 178.19 1vjr h LEU 216 N 0.93 -0.03 -0.23 5.20 5.85 -0.69 0.34 115.31 126.68 1vjr h LEU 216 Ca 0.19 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1vjr h LEU 216 Cb 0.43 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1vjr h LEU 216 CO 0.01 0.02 -0.02 1.23 -0.34 0.00 0.00 178.44 179.34 1vjr h GLY 217 N 0.11 0.20 0.77 3.75 0.00 -0.73 0.98 103.07 108.16 1vjr h GLY 217 Ca 0.11 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.49 1vjr h GLY 217 CO -0.16 -0.06 -0.11 0.50 0.00 0.00 0.00 176.54 176.71 1vjr h LYS 218 N 0.05 -0.21 -0.97 4.80 1.79 -0.84 0.45 116.57 121.64 1vjr h LYS 218 Ca 0.11 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1vjr h LYS 218 Cb 0.15 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 1vjr h LYS 218 CO -0.20 -0.14 0.63 -0.91 -1.08 0.00 0.00 179.45 177.75 1vjr h ASN 219 N -0.22 1.13 0.72 0.86 2.35 0.03 -2.95 115.58 117.49 1vjr h ASN 219 Ca 0.03 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1vjr h ASN 219 Cb 0.25 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1vjr h ASN 219 CO -0.08 0.83 -1.05 0.00 -1.65 0.00 0.00 177.43 175.48 1vjr n ALA 220 N -2.39 2.85 -2.81 -0.83 0.00 0.31 -4.83 120.51 112.81 1vjr n ALA 220 Ca 0.11 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.17 1vjr n ALA 220 Cb 0.03 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.46 1vjr n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vjr n GLY 221 N 1.26 0.45 3.27 0.00 0.00 0.15 -5.04 105.19 105.28 1vjr n GLY 221 Ca 0.01 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 1vjr n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vjr s ILE 222 N -3.10 1.40 0.27 -0.61 -4.36 -0.55 -4.72 121.20 109.53 1vjr s ILE 222 Ca 0.17 -1.92 -0.30 0.00 -0.26 0.00 0.00 60.65 58.34 1vjr s ILE 222 Cb -0.07 -1.73 -0.11 0.00 1.25 0.00 0.00 42.46 41.80 1vjr s ILE 222 CO 0.23 -0.53 1.50 -0.69 0.24 0.00 0.00 174.94 175.70 1vjr s VAL 223 N -2.61 2.40 -0.19 8.37 1.01 -1.26 -4.39 120.40 123.73 1vjr s VAL 223 Ca 0.14 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 1vjr s VAL 223 Cb -0.02 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1vjr s VAL 223 CO 0.03 0.05 0.04 -0.94 0.00 0.00 0.00 175.10 174.29 1vjr s SER 224 N 0.41 5.34 -0.21 3.32 1.04 -1.26 -4.43 113.70 117.91 1vjr s SER 224 Ca 0.61 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 57.03 1vjr s SER 224 Cb -0.44 -1.91 0.03 0.00 0.10 0.00 0.00 66.02 63.80 1vjr s SER 224 CO 0.46 0.14 -0.15 -0.63 0.98 0.00 0.00 173.24 174.04 1vjr s ILE 225 N 0.56 2.26 -0.05 -1.02 1.01 -1.26 -1.32 121.20 121.38 1vjr s ILE 225 Ca 0.02 -1.12 -0.17 0.00 0.00 0.00 0.00 60.65 59.38 1vjr s ILE 225 Cb -0.13 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 1vjr s ILE 225 CO 0.02 0.33 0.45 -0.22 0.00 0.00 0.00 174.94 175.52 1vjr s LEU 226 N 1.25 4.38 0.20 2.97 2.96 0.00 -0.92 118.68 129.53 1vjr s LEU 226 Ca 0.01 0.90 0.06 0.00 -0.22 0.00 0.00 54.13 54.87 1vjr s LEU 226 Cb -0.15 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1vjr s LEU 226 CO -0.09 0.16 0.19 0.68 -1.32 0.00 0.00 176.35 175.97 1vjr s VAL 227 N -0.23 4.59 -1.42 1.68 -7.23 0.34 -0.88 120.40 117.24 1vjr s VAL 227 Ca 0.25 -1.18 0.20 0.00 -1.81 0.00 0.00 61.98 59.44 1vjr s VAL 227 Cb -0.16 -3.41 0.71 0.00 0.56 0.00 0.00 36.38 34.08 1vjr s VAL 227 CO 0.12 -0.22 1.61 0.18 -0.31 0.00 0.00 175.10 176.48 1vjr n LEU 228 N -0.78 4.55 0.02 1.32 4.77 -0.97 -4.43 117.00 121.49 1vjr n LEU 228 Ca -0.08 -2.30 0.12 0.00 -0.03 0.00 0.00 56.01 53.72 1vjr n LEU 228 Cb 0.56 -0.56 0.20 0.00 -2.33 0.00 0.00 43.42 41.30 1vjr n LEU 228 CO 0.44 0.88 0.37 0.35 -1.33 0.00 0.00 177.39 178.09 1vjr n THR 229 N 1.33 0.14 0.00 -5.08 -2.24 -1.24 -4.81 114.28 102.38 1vjr n THR 229 Ca 0.26 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1vjr n THR 229 Cb 0.81 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1vjr n THR 229 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vjr n GLY 230 N 1.43 2.40 0.27 3.38 0.00 -1.03 -4.87 105.19 106.77 1vjr n GLY 230 Ca 0.04 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1vjr n GLY 230 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vjr h GLU 231 N 0.00 0.00 -5.21 1.61 4.39 -1.83 -3.43 114.58 110.12 1vjr h GLU 231 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 1vjr h GLU 231 Cb 0.00 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.50 1vjr h GLU 231 CO 0.00 0.07 -0.54 0.99 -1.16 0.00 0.00 179.01 178.38 1vjr s THR 232 N -4.45 5.03 0.30 1.13 2.01 -1.04 -4.97 115.64 113.65 1vjr s THR 232 Ca -0.04 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.09 1vjr s THR 232 Cb 0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1vjr s THR 232 CO 0.59 0.42 0.23 0.42 -0.69 0.00 0.00 174.62 175.58 1vjr s THR 233 N 0.62 3.83 0.40 -0.82 -4.23 -1.26 -4.49 115.64 109.69 1vjr s THR 233 Ca 0.05 -1.44 0.12 0.00 -1.18 0.00 0.00 61.69 59.24 1vjr s THR 233 Cb -0.13 -3.23 0.33 0.00 1.34 0.00 0.00 72.50 70.82 1vjr s THR 233 CO 0.01 -0.25 1.92 -0.65 -0.54 0.00 0.00 174.62 175.11 1vjr h PRO 234 N 1.40 0.54 -0.35 3.99 0.11 -1.99 -1.39 132.00 134.31 1vjr h PRO 234 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vjr h PRO 234 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1vjr h PRO 234 CO 0.60 0.36 0.22 0.93 -0.21 0.00 0.00 178.00 179.89 1vjr h GLU 235 N 0.56 0.48 -0.63 1.05 3.07 -2.00 -1.58 114.58 115.52 1vjr h GLU 235 Ca 0.37 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.20 1vjr h GLU 235 Cb 0.65 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 1vjr h GLU 235 CO -0.13 0.36 0.41 -0.44 -1.40 0.00 0.00 179.01 177.81 1vjr h ASP 236 N 0.46 0.71 -0.86 1.42 3.32 -1.78 -2.68 116.42 117.01 1vjr h ASP 236 Ca 0.13 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1vjr h ASP 236 Cb 0.00 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1vjr h ASP 236 CO -0.02 0.51 0.56 -0.07 -1.72 0.00 0.00 179.24 178.49 1vjr h LEU 237 N 0.84 0.92 -1.14 1.55 3.38 -0.91 -0.19 115.31 119.77 1vjr h LEU 237 Ca 0.24 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1vjr h LEU 237 Cb -0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1vjr h LEU 237 CO -0.06 0.63 0.01 -0.33 0.09 0.00 0.00 178.44 178.78 1vjr h GLU 238 N 1.08 0.61 0.00 1.13 4.39 -1.07 -2.84 114.58 117.88 1vjr h GLU 238 Ca 0.35 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.77 1vjr h GLU 238 Cb 0.01 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1vjr h GLU 238 CO -0.12 0.63 -0.64 0.00 -1.16 0.00 0.00 179.01 177.71 1vjr h ARG 239 N 0.59 0.00 -6.63 2.33 3.08 -1.08 -3.47 114.38 109.20 1vjr h ARG 239 Ca 0.12 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.61 1vjr h ARG 239 Cb 0.35 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.48 1vjr h ARG 239 CO 0.01 0.64 0.74 0.00 -1.07 0.00 0.00 179.97 180.29 1vjr n ALA 240 N -2.30 1.63 0.09 0.04 0.00 -0.14 -4.91 120.51 114.93 1vjr n ALA 240 Ca 0.01 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.81 1vjr n ALA 240 Cb 0.75 -2.35 0.14 0.00 0.00 0.00 0.00 19.45 17.98 1vjr n ALA 240 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1vjr h GLU 241 N 4.82 0.21 -4.74 0.00 4.57 -1.91 -3.42 114.58 114.11 1vjr h GLU 241 Ca -0.45 -0.14 -0.58 0.00 -1.18 0.00 0.00 59.36 57.00 1vjr h GLU 241 Cb 1.25 0.02 -0.34 0.00 -0.16 0.00 0.00 28.75 29.52 1vjr h GLU 241 CO 0.80 0.74 -0.83 0.99 -1.18 0.00 0.00 179.01 179.52 1vjr s THR 242 N -3.77 1.48 0.25 0.32 2.01 -1.26 -5.13 115.64 109.54 1vjr s THR 242 Ca -0.04 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 1vjr s THR 242 Cb 0.12 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1vjr s THR 242 CO 0.79 0.44 0.46 -0.54 -0.69 0.00 0.00 174.62 175.08 1vjr s LYS 243 N 0.95 3.54 0.78 4.92 -0.14 -1.26 -4.98 119.74 123.55 1vjr s LYS 243 Ca -0.07 -0.26 -0.11 0.00 -1.36 0.00 0.00 55.97 54.16 1vjr s LYS 243 Cb -0.15 -2.76 0.06 0.00 -1.68 0.00 0.00 37.83 33.30 1vjr s LYS 243 CO -0.01 0.31 1.08 -1.25 -0.76 0.00 0.00 175.35 174.72 1vjr s PRO 244 N -3.58 2.22 0.17 -1.68 0.04 -1.26 -4.98 135.00 125.94 1vjr s PRO 244 Ca 0.40 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1vjr s PRO 244 Cb -0.11 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.57 1vjr s PRO 244 CO 0.30 -1.57 1.66 -0.44 0.04 0.00 0.00 177.00 176.99 1vjr h ASP 245 N -1.06 0.91 -4.99 6.66 3.32 -1.60 -3.46 116.42 116.21 1vjr h ASP 245 Ca -0.46 -0.26 -0.18 0.00 0.02 0.00 0.00 57.03 56.15 1vjr h ASP 245 Cb 1.25 -0.24 -0.19 0.00 0.22 0.00 0.00 39.33 40.37 1vjr h ASP 245 CO 0.57 0.94 -0.70 -0.36 -1.72 0.00 0.00 179.24 177.97 1vjr s PHE 246 N -5.20 0.41 -0.06 4.55 0.40 -0.60 -5.02 117.98 112.46 1vjr s PHE 246 Ca -0.12 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1vjr s PHE 246 Cb 0.13 -0.28 0.01 0.00 0.51 0.00 0.00 43.02 43.39 1vjr s PHE 246 CO 0.82 -0.22 -0.12 0.08 0.70 0.00 0.00 175.22 176.48 1vjr s VAL 247 N -2.14 1.14 0.03 -0.44 1.01 -1.26 -0.82 120.40 117.92 1vjr s VAL 247 Ca -0.08 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1vjr s VAL 247 Cb -0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1vjr s VAL 247 CO -0.03 0.35 -0.08 -0.36 0.00 0.00 0.00 175.10 174.99 1vjr s PHE 248 N 0.63 0.66 0.19 5.22 0.08 -0.06 -4.97 117.98 119.72 1vjr s PHE 248 Ca -0.14 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 56.38 1vjr s PHE 248 Cb -0.15 -0.40 0.17 0.00 -0.57 0.00 0.00 43.02 42.07 1vjr s PHE 248 CO 0.04 -0.06 1.76 -0.22 -0.10 0.00 0.00 175.22 176.64 1vjr h LYS 249 N 4.82 0.41 -2.54 0.44 3.64 -1.95 -2.63 116.57 118.76 1vjr h LYS 249 Ca -0.34 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1vjr h LYS 249 Cb 1.20 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1vjr h LYS 249 CO 0.43 0.27 0.56 0.54 -2.27 0.00 0.00 179.45 178.98 1vjr s ASN 250 N -5.43 -0.01 0.53 4.20 2.20 -1.26 -2.28 114.94 112.88 1vjr s ASN 250 Ca -0.13 -0.67 0.23 0.00 -0.94 0.00 0.00 52.86 51.35 1vjr s ASN 250 Cb 0.15 0.52 1.46 0.00 -2.00 0.00 0.00 41.25 41.37 1vjr s ASN 250 CO 0.73 -1.02 2.14 -0.07 -2.94 0.00 0.00 177.10 175.94 1vjr h LEU 251 N 2.00 0.00 -0.78 3.54 3.38 -1.85 -1.18 115.31 120.42 1vjr h LEU 251 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1vjr h LEU 251 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1vjr h LEU 251 CO 0.35 0.06 -0.06 1.23 0.09 0.00 0.00 178.44 180.12 1vjr h GLY 252 N 0.28 0.93 1.46 0.83 0.00 -1.62 0.11 103.07 105.07 1vjr h GLY 252 Ca -0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 47.33 46.43 1vjr h GLY 252 CO 0.01 0.63 -0.89 0.83 0.00 0.00 0.00 176.54 177.12 1vjr h GLU 253 N 0.79 0.50 -0.72 4.80 4.39 -1.58 -2.38 114.58 120.38 1vjr h GLU 253 Ca 0.14 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1vjr h GLU 253 Cb 0.55 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 1vjr h GLU 253 CO 0.03 1.12 0.46 1.25 -1.16 0.00 0.00 179.01 180.72 1vjr h LEU 254 N 0.30 0.84 -0.57 1.33 5.85 -1.15 -2.08 115.31 119.83 1vjr h LEU 254 Ca -0.07 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1vjr h LEU 254 Cb 1.51 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 1vjr h LEU 254 CO 0.16 0.62 0.31 0.00 -0.34 0.00 0.00 178.44 179.19 1vjr h ALA 255 N 1.25 0.74 -0.02 1.25 0.00 -0.67 -1.20 119.26 120.62 1vjr h ALA 255 Ca 0.26 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1vjr h ALA 255 Cb -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1vjr h ALA 255 CO -0.05 -0.01 -0.18 0.87 0.00 0.00 0.00 179.25 179.88 1vjr h LYS 256 N 0.60 0.03 0.00 0.00 1.57 -1.10 -1.14 116.57 116.54 1vjr h LYS 256 Ca 0.25 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1vjr h LYS 256 Cb 0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1vjr h LYS 256 CO -0.15 0.22 -0.18 0.00 -0.57 0.00 0.00 179.45 178.77 1vjr h ALA 257 N 1.79 1.70 -0.00 3.86 0.00 -0.52 -3.24 119.26 122.85 1vjr h ALA 257 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1vjr h ALA 257 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1vjr h ALA 257 CO 0.02 0.22 -0.44 1.33 0.00 0.00 0.00 179.25 180.38 1vjr n VAL 258 N -4.32 0.00 0.44 0.00 0.24 -0.72 -4.88 118.33 109.09 1vjr n VAL 258 Ca -0.02 -0.28 0.04 0.00 -2.04 0.00 0.00 64.34 62.03 1vjr n VAL 258 Cb 0.24 1.07 0.21 0.00 -1.47 0.00 0.00 33.84 33.89 1vjr n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69