#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhs s LEU 1 N 0.00 2.04 -0.15 1.04 1.43 -1.26 -3.53 118.68 118.25 1vhs s LEU 1 Ca 0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1vhs s LEU 1 Cb 0.00 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.60 1vhs s LEU 1 CO 0.00 0.13 -0.21 -0.89 0.23 0.00 0.00 176.35 175.61 1vhs s THR 2 N -0.37 2.08 0.07 5.49 2.01 -0.23 -4.91 115.64 119.78 1vhs s THR 2 Ca 0.04 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 1vhs s THR 2 Cb -0.05 -1.84 -0.06 0.00 0.01 0.00 0.00 72.50 70.56 1vhs s THR 2 CO -0.00 0.55 0.44 -0.76 -0.69 0.00 0.00 174.62 174.16 1vhs s LEU 3 N 0.95 4.40 0.17 4.42 1.43 -1.26 -0.81 118.68 127.98 1vhs s LEU 3 Ca -0.03 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 1vhs s LEU 3 Cb -0.15 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.20 1vhs s LEU 3 CO -0.05 0.21 0.51 0.00 0.23 0.00 0.00 176.35 177.26 1vhs s ARG 4 N -1.60 1.30 0.36 1.70 1.70 -0.62 -5.00 118.95 116.78 1vhs s ARG 4 Ca 0.31 -0.75 -0.28 0.00 -0.47 0.00 0.00 55.73 54.53 1vhs s ARG 4 Cb -0.15 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.65 1vhs s ARG 4 CO 0.17 -0.55 1.37 -0.51 -1.08 0.00 0.00 175.30 174.70 1vhs s LEU 5 N -2.83 4.36 0.58 -1.89 1.43 -1.26 -1.11 118.68 117.96 1vhs s LEU 5 Ca 0.06 2.81 -0.17 0.00 -1.03 0.00 0.00 54.13 55.80 1vhs s LEU 5 Cb -0.00 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1vhs s LEU 5 CO -0.07 -0.69 1.08 0.00 0.23 0.00 0.00 176.35 176.91 1vhs s ALA 6 N -1.15 2.68 0.23 4.21 0.00 0.59 -4.69 121.76 123.63 1vhs s ALA 6 Ca 0.51 0.56 0.05 0.00 0.00 0.00 0.00 51.96 53.08 1vhs s ALA 6 Cb -0.42 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 1vhs s ALA 6 CO 0.56 -0.84 -0.05 -1.21 0.00 0.00 0.00 175.76 174.21 1vhs s GLU 7 N -3.78 1.36 0.23 0.00 2.02 -1.26 -4.96 118.70 112.32 1vhs s GLU 7 Ca 0.67 -1.67 -0.07 0.00 0.02 0.00 0.00 54.97 53.92 1vhs s GLU 7 Cb -0.19 -0.85 0.40 0.00 0.10 0.00 0.00 34.13 33.60 1vhs s GLU 7 CO 0.33 0.00 1.68 1.25 0.02 0.00 0.00 175.26 178.54 1vhs h HIS 8 N 2.47 0.17 0.00 1.61 -0.00 -2.01 0.60 115.15 118.00 1vhs h HIS 8 Ca -0.39 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 1vhs h HIS 8 Cb 1.22 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1vhs h HIS 8 CO 0.64 -0.11 0.00 2.89 -0.00 0.00 0.00 177.93 181.35 1vhs n ARG 9 N -5.19 0.06 0.09 5.26 1.85 -1.26 -1.76 116.66 115.72 1vhs n ARG 9 Ca 0.12 0.28 0.12 0.00 -1.00 0.00 0.00 57.85 57.37 1vhs n ARG 9 Cb 0.42 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.40 1vhs n ARG 9 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1vhs h ASP 10 N 0.00 0.00 -1.02 2.89 3.45 -1.28 -3.38 116.42 117.08 1vhs h ASP 10 Ca 0.00 -0.09 0.25 0.00 0.43 0.00 0.00 57.03 57.62 1vhs h ASP 10 Cb 0.11 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.77 1vhs h ASP 10 CO 0.00 0.04 0.63 0.25 -1.57 0.00 0.00 179.24 178.59 1vhs h LEU 11 N 0.00 0.58 -0.19 1.55 5.85 -1.39 -0.28 115.31 121.43 1vhs h LEU 11 Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1vhs h LEU 11 Cb 0.90 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1vhs h LEU 11 CO 0.00 0.11 0.09 -0.33 -0.34 0.00 0.00 178.44 177.98 1vhs h GLU 12 N 0.52 0.27 -0.55 1.25 5.08 -1.81 -0.15 114.58 119.19 1vhs h GLU 12 Ca 0.62 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.86 1vhs h GLU 12 Cb 1.32 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1vhs h GLU 12 CO -0.38 0.29 0.01 0.00 -1.00 0.00 0.00 179.01 177.93 1vhs h ALA 13 N 0.97 0.99 0.05 3.43 0.00 -1.46 -0.48 119.26 122.76 1vhs h ALA 13 Ca 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1vhs h ALA 13 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1vhs h ALA 13 CO -0.01 0.62 -0.03 0.28 0.00 0.00 0.00 179.25 180.12 1vhs h VAL 14 N 0.86 0.97 -0.56 0.00 2.07 -0.79 -0.08 116.25 118.73 1vhs h VAL 14 Ca 0.16 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1vhs h VAL 14 Cb 0.49 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1vhs h VAL 14 CO 0.02 0.02 0.15 0.58 0.02 0.00 0.00 177.57 178.37 1vhs h VAL 15 N -0.11 1.24 -0.48 2.57 2.07 -0.93 -1.72 116.25 118.90 1vhs h VAL 15 Ca -0.01 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1vhs h VAL 15 Cb 0.09 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1vhs h VAL 15 CO 0.01 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.18 1vhs h ALA 16 N 1.03 0.61 0.00 1.67 0.00 -0.89 0.24 119.26 121.92 1vhs h ALA 16 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1vhs h ALA 16 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1vhs h ALA 16 CO -0.00 -0.06 -0.21 0.82 0.00 0.00 0.00 179.25 179.80 1vhs h ILE 17 N 0.53 1.15 0.24 0.00 2.04 -0.82 -1.16 117.51 119.49 1vhs h ILE 17 Ca 0.20 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1vhs h ILE 17 Cb 0.06 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1vhs h ILE 17 CO -0.11 0.21 -0.12 0.22 0.00 0.00 0.00 178.15 178.35 1vhs h TYR 18 N 0.00 -0.30 -0.96 1.37 3.20 -0.20 -2.86 116.97 117.22 1vhs h TYR 18 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1vhs h TYR 18 Cb 0.38 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 1vhs h TYR 18 CO 0.00 0.07 0.63 -0.91 -1.64 0.00 0.00 178.16 176.31 1vhs h ASN 19 N -0.78 1.09 -0.23 -2.11 2.35 -0.85 -1.96 115.58 113.09 1vhs h ASN 19 Ca -0.03 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1vhs h ASN 19 Cb 0.51 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1vhs h ASN 19 CO 0.05 0.79 0.13 0.77 -1.65 0.00 0.00 177.43 177.52 1vhs h SER 20 N 1.29 0.31 -0.02 5.81 4.64 -1.26 -2.40 113.55 121.92 1vhs h SER 20 Ca 0.35 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 1vhs h SER 20 Cb -0.14 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1vhs h SER 20 CO -0.08 0.26 -0.31 0.74 -0.87 0.00 0.00 176.83 176.58 1vhs h THR 21 N 0.36 1.49 0.00 2.95 2.02 -1.13 -2.65 112.91 115.94 1vhs h THR 21 Ca 0.09 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1vhs h THR 21 Cb 0.03 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1vhs h THR 21 CO -0.01 0.52 0.00 0.16 0.37 0.00 0.00 175.52 176.56 1vhs h ILE 22 N -0.34 0.00 0.00 3.11 -0.00 -1.26 -0.75 117.51 118.27 1vhs h ILE 22 Ca -0.03 -0.15 -0.23 0.00 -0.00 0.00 0.00 64.86 64.44 1vhs h ILE 22 Cb 1.01 1.09 -0.04 0.00 -0.00 0.00 0.00 36.82 38.88 1vhs h ILE 22 CO 0.06 0.00 -1.32 0.00 -0.00 0.00 0.00 178.15 176.90 1vhs h ALA 23 N 2.01 0.59 0.00 0.16 0.00 -1.40 -3.52 119.26 117.10 1vhs h ALA 23 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1vhs h ALA 23 Cb 0.16 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1vhs h ALA 23 CO 0.00 1.32 0.00 0.45 0.00 0.00 0.00 179.25 181.02 1vhs n SER 24 N -3.16 0.00 -4.77 0.00 2.88 -0.29 -5.11 113.62 103.17 1vhs n SER 24 Ca -0.08 -0.14 -0.38 0.00 -1.33 0.00 0.00 58.87 56.94 1vhs n SER 24 Cb 0.96 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.41 1vhs n SER 24 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1vhs s GLU 32 N -2.00 4.01 0.04 -1.46 0.41 -1.26 -5.11 118.70 113.32 1vhs s GLU 32 Ca 0.06 1.87 -0.37 0.00 -0.41 0.00 0.00 54.97 56.12 1vhs s GLU 32 Cb 0.03 -2.66 -0.17 0.00 -1.78 0.00 0.00 34.13 29.55 1vhs s GLU 32 CO 0.05 -0.37 1.37 -0.35 -0.49 0.00 0.00 175.26 175.46 1vhs n PRO 33 N 0.02 1.07 -3.77 0.39 -0.06 -1.26 -4.95 135.00 126.44 1vhs n PRO 33 Ca 0.05 0.39 -0.35 0.00 -0.06 0.00 0.00 63.50 63.52 1vhs n PRO 33 Cb 0.46 -2.03 -0.05 0.00 -0.06 0.00 0.00 33.50 31.82 1vhs n PRO 33 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 175.50 175.52 1vhs s VAL 34 N 0.79 5.33 -0.08 0.52 1.01 -1.26 -5.10 120.40 121.61 1vhs s VAL 34 Ca 0.86 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.05 1vhs s VAL 34 Cb -0.99 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1vhs s VAL 34 CO 0.50 0.44 -0.01 0.42 0.00 0.00 0.00 175.10 176.44 1vhs s THR 35 N -1.22 4.20 0.58 3.92 -4.23 -1.26 -4.99 115.64 112.63 1vhs s THR 35 Ca 0.24 -0.29 0.29 0.00 -1.18 0.00 0.00 61.69 60.75 1vhs s THR 35 Cb -0.13 -2.76 0.40 0.00 1.34 0.00 0.00 72.50 71.35 1vhs s THR 35 CO 0.13 0.60 1.88 -0.65 -0.54 0.00 0.00 174.62 176.05 1vhs h PRO 36 N 5.21 0.00 -0.45 3.99 0.11 -1.94 0.78 132.00 139.70 1vhs h PRO 36 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1vhs h PRO 36 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1vhs h PRO 36 CO 0.54 0.00 -0.24 0.93 -0.21 0.00 0.00 178.00 179.02 1vhs h GLU 37 N 0.00 0.93 -0.51 1.05 5.08 -2.01 -2.64 114.58 116.49 1vhs h GLU 37 Ca 0.26 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1vhs h GLU 37 Cb 1.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1vhs h GLU 37 CO -0.00 1.06 0.00 -0.40 -1.00 0.00 0.00 179.01 178.67 1vhs n ASP 38 N -4.10 2.29 -3.48 1.42 5.68 0.25 -4.73 116.55 113.87 1vhs n ASP 38 Ca -0.00 -2.15 -0.27 0.00 -0.50 0.00 0.00 54.79 51.87 1vhs n ASP 38 Cb 0.46 -0.35 -0.10 0.00 -1.14 0.00 0.00 41.12 39.99 1vhs n ASP 38 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1vhs s ARG 39 N -1.64 1.16 0.00 0.11 6.06 -1.00 -4.93 118.95 118.72 1vhs s ARG 39 Ca 0.23 -2.31 0.00 0.00 -2.50 0.00 0.00 55.73 51.16 1vhs s ARG 39 Cb 0.14 -1.75 0.00 0.00 0.06 0.00 0.00 34.95 33.40 1vhs s ARG 39 CO 0.13 -1.37 0.00 0.39 -2.50 0.00 0.00 175.30 171.95 1vhs n GLU 41 N 2.71 0.00 -0.01 5.12 -0.58 -1.26 -2.75 120.64 123.88 1vhs n GLU 41 Ca 0.28 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.92 1vhs n GLU 41 Cb 0.46 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.28 1vhs n GLU 41 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1vhs h TRP 42 N 0.00 0.03 0.06 -0.32 7.01 -1.97 0.15 115.95 120.92 1vhs h TRP 42 Ca 0.00 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1vhs h TRP 42 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 1vhs h TRP 42 CO 0.00 0.01 -0.10 0.35 -2.79 0.00 0.00 178.44 175.91 1vhs h PHE 43 N 0.07 -0.25 0.00 2.65 3.57 -1.93 -2.22 116.94 118.83 1vhs h PHE 43 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1vhs h PHE 43 Cb 0.04 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1vhs h PHE 43 CO -0.12 -0.15 0.00 0.77 -2.23 0.00 0.00 178.31 176.58 1vhs h SER 44 N -0.20 0.00 0.84 0.41 0.02 -1.84 -2.85 113.55 109.93 1vhs h SER 44 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1vhs h SER 44 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1vhs h SER 44 CO -0.05 0.00 -0.03 1.23 -1.14 0.00 0.00 176.83 176.84 1vhs h GLY 45 N 2.26 0.00 -1.74 -3.77 0.00 -0.31 -3.45 103.07 96.07 1vhs h GLY 45 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1vhs h GLY 45 CO 0.00 0.00 0.38 0.30 0.00 0.00 0.00 176.54 177.22 1vhs s HIS 46 N -3.76 2.59 0.20 5.60 4.02 -1.08 -5.04 115.29 117.81 1vhs s HIS 46 Ca 0.00 1.55 0.03 0.00 1.02 0.00 0.00 55.06 57.66 1vhs s HIS 46 Cb 0.10 -3.20 -0.01 0.00 -1.02 0.00 0.00 32.58 28.45 1vhs s HIS 46 CO 0.54 -1.74 0.10 0.25 1.02 0.00 0.00 174.74 174.92 1vhs n THR 47 N -2.32 0.00 0.20 1.30 -2.24 -0.22 -4.96 114.28 106.04 1vhs n THR 47 Ca 0.11 -1.25 0.04 0.00 -2.27 0.00 0.00 64.05 60.67 1vhs n THR 47 Cb 0.52 0.52 0.43 0.00 -2.10 0.00 0.00 70.33 69.69 1vhs n THR 47 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1vhs h GLU 48 N 0.00 0.00 0.00 -0.78 5.08 -2.00 -2.61 114.58 114.27 1vhs h GLU 48 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1vhs h GLU 48 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1vhs h GLU 48 CO 0.23 0.28 -1.50 -1.13 -1.00 0.00 0.00 179.01 175.89 1vhs n SER 49 N -4.19 0.41 -3.49 1.42 3.41 -1.26 -4.56 113.62 105.36 1vhs n SER 49 Ca -0.02 0.10 -0.27 0.00 -0.26 0.00 0.00 58.87 58.42 1vhs n SER 49 Cb 0.33 1.26 -0.10 0.00 -0.26 0.00 0.00 64.21 65.44 1vhs n SER 49 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vhs n ARG 50 N -2.39 1.12 -2.37 4.33 5.12 -1.10 -4.85 116.66 116.52 1vhs n ARG 50 Ca -0.02 -3.78 -0.25 0.00 -1.93 0.00 0.00 57.85 51.88 1vhs n ARG 50 Cb 0.55 -1.83 0.08 0.00 -1.16 0.00 0.00 32.46 30.10 1vhs n ARG 50 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1vhs s PRO 51 N -1.03 1.99 -0.17 5.56 0.04 -1.00 -1.06 135.00 139.34 1vhs s PRO 51 Ca 0.32 -0.60 0.01 0.00 0.04 0.00 0.00 61.00 60.77 1vhs s PRO 51 Cb 0.06 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1vhs s PRO 51 CO -0.14 -1.29 -0.19 -1.17 0.04 0.00 0.00 177.00 174.25 1vhs s LEU 52 N -5.18 2.22 0.08 -3.56 2.96 -1.26 -1.03 118.68 112.92 1vhs s LEU 52 Ca 0.62 -0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 1vhs s LEU 52 Cb -0.09 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1vhs s LEU 52 CO 0.44 0.03 -0.13 -0.31 -1.32 0.00 0.00 176.35 175.06 1vhs s TYR 53 N 1.10 2.68 0.19 5.38 1.51 0.68 -0.30 117.35 128.59 1vhs s TYR 53 Ca 0.00 -0.19 0.11 0.00 -1.01 0.00 0.00 57.07 55.99 1vhs s TYR 53 Cb -0.14 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1vhs s TYR 53 CO -0.07 0.38 -0.23 0.14 -1.11 0.00 0.00 175.55 174.65 1vhs s VAL 54 N -1.12 2.28 -0.11 0.71 -7.23 -0.27 -0.64 120.40 114.01 1vhs s VAL 54 Ca 0.19 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 1vhs s VAL 54 Cb -0.11 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.75 1vhs s VAL 54 CO 0.11 -0.15 -0.23 0.00 -0.31 0.00 0.00 175.10 174.51 1vhs s ALA 55 N -1.73 2.19 -0.09 1.32 0.00 0.24 -1.59 121.76 122.10 1vhs s ALA 55 Ca 0.20 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1vhs s ALA 55 Cb -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1vhs s ALA 55 CO 0.09 0.19 0.11 -1.21 0.00 0.00 0.00 175.76 174.95 1vhs s GLU 56 N 0.48 3.30 0.00 0.00 2.02 0.01 -0.38 118.70 124.12 1vhs s GLU 56 Ca -0.15 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1vhs s GLU 56 Cb -0.17 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1vhs s GLU 56 CO 0.06 0.74 0.00 -0.40 0.02 0.00 0.00 175.26 175.67 1vhs n ASP 57 N 1.80 -0.12 -0.17 -0.19 5.68 0.13 -1.07 116.55 122.61 1vhs n ASP 57 Ca -0.18 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1vhs n ASP 57 Cb 0.54 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.78 1vhs n ASP 57 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1vhs h GLU 58 N 0.00 0.90 0.00 0.11 -0.00 -1.89 -1.68 114.58 112.02 1vhs h GLU 58 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1vhs h GLU 58 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 28.75 28.56 1vhs h GLU 58 CO 0.00 0.63 0.00 0.09 -0.00 0.00 0.00 179.01 179.73 1vhs n ASN 59 N -4.40 0.00 0.00 3.06 5.03 -1.26 -4.88 115.26 112.81 1vhs n ASN 59 Ca 0.07 -0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.13 1vhs n ASN 59 Cb 0.07 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 1vhs n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1vhs n GLY 60 N 1.07 0.56 3.88 7.41 0.00 -0.63 -5.05 105.19 112.44 1vhs n GLY 60 Ca 0.17 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1vhs n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vhs s ASN 61 N -2.60 6.46 -0.29 1.61 0.01 -1.26 -4.77 114.94 114.10 1vhs s ASN 61 Ca 0.00 0.51 -0.29 0.00 -0.71 0.00 0.00 52.86 52.38 1vhs s ASN 61 Cb 0.00 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 1vhs s ASN 61 CO 0.00 0.32 1.54 -0.69 -1.51 0.00 0.00 177.10 176.76 1vhs s VAL 62 N -1.19 3.79 -0.37 1.60 1.01 -1.26 0.21 120.40 124.20 1vhs s VAL 62 Ca 0.23 0.87 0.13 0.00 0.00 0.00 0.00 61.98 63.21 1vhs s VAL 62 Cb -0.13 -3.88 -0.17 0.00 0.00 0.00 0.00 36.38 32.20 1vhs s VAL 62 CO 0.12 -0.43 0.45 0.00 0.00 0.00 0.00 175.10 175.24 1vhs n ALA 63 N 8.60 3.22 -3.75 5.51 0.00 0.48 -4.94 120.51 129.63 1vhs n ALA 63 Ca 0.18 -0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1vhs n ALA 63 Cb 0.46 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 1vhs n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhs s ALA 64 N -2.55 -1.59 0.02 0.00 0.00 -1.19 -0.32 121.76 116.12 1vhs s ALA 64 Ca 0.01 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 1vhs s ALA 64 Cb 0.10 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1vhs s ALA 64 CO 0.56 -1.02 0.30 1.67 0.00 0.00 0.00 175.76 177.28 1vhs s TRP 65 N -3.40 -0.14 -0.11 0.00 1.48 -0.45 -0.59 118.94 115.73 1vhs s TRP 65 Ca 0.11 0.10 0.02 0.00 -1.06 0.00 0.00 56.10 55.27 1vhs s TRP 65 Cb -0.02 0.09 0.02 0.00 -1.16 0.00 0.00 33.47 32.40 1vhs s TRP 65 CO 0.02 -0.45 -0.14 0.42 -4.06 0.00 0.00 176.95 172.74 1vhs s ILE 66 N -2.00 1.43 -0.12 0.66 1.01 0.18 -1.83 121.20 120.53 1vhs s ILE 66 Ca -0.09 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1vhs s ILE 66 Cb -0.03 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1vhs s ILE 66 CO 0.00 0.43 -0.21 -0.55 0.00 0.00 0.00 174.94 174.61 1vhs s SER 67 N 1.02 3.26 -0.17 3.58 0.15 0.25 -0.23 113.70 121.57 1vhs s SER 67 Ca -0.06 -0.54 -0.06 0.00 0.70 0.00 0.00 55.95 55.99 1vhs s SER 67 Cb -0.15 -1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 62.67 1vhs s SER 67 CO -0.02 0.13 0.03 -0.36 1.20 0.00 0.00 173.24 174.22 1vhs s PHE 68 N 0.52 3.18 0.06 3.44 0.40 -0.19 -1.49 117.98 123.89 1vhs s PHE 68 Ca -0.13 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1vhs s PHE 68 Cb -0.17 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 1vhs s PHE 68 CO 0.05 0.12 -0.09 -1.21 0.70 0.00 0.00 175.22 174.78 1vhs s GLU 69 N 0.27 0.64 0.53 0.44 2.02 -0.14 -4.12 118.70 118.35 1vhs s GLU 69 Ca 0.01 -0.88 -0.20 0.00 0.02 0.00 0.00 54.97 53.92 1vhs s GLU 69 Cb -0.13 -0.43 -0.06 0.00 0.10 0.00 0.00 34.13 33.61 1vhs s GLU 69 CO 0.01 0.08 1.18 0.95 0.02 0.00 0.00 175.26 177.50 1vhs s THR 70 N -1.60 2.92 -0.15 3.63 -4.23 -1.26 -0.50 115.64 114.45 1vhs s THR 70 Ca -0.05 0.61 -0.20 0.00 -1.18 0.00 0.00 61.69 60.87 1vhs s THR 70 Cb -0.08 -3.27 -0.17 0.00 1.34 0.00 0.00 72.50 70.32 1vhs s THR 70 CO 0.00 -0.09 0.36 0.15 -0.54 0.00 0.00 174.62 174.51 1vhs h PHE 71 N 1.36 0.00 -2.84 3.99 3.57 -1.87 -3.43 116.94 117.72 1vhs h PHE 71 Ca -0.50 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 60.83 1vhs h PHE 71 Cb 1.27 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.72 1vhs h PHE 71 CO 0.50 0.87 -0.43 -0.47 -2.23 0.00 0.00 178.31 176.55 1vhs s TYR 72 N -2.15 -0.46 -0.35 0.41 5.04 -1.26 -5.06 117.35 113.51 1vhs s TYR 72 Ca -0.18 1.02 -0.02 0.00 -2.44 0.00 0.00 57.07 55.45 1vhs s TYR 72 Cb 0.01 0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.41 1vhs s TYR 72 CO 0.49 -0.31 1.46 0.41 -1.34 0.00 0.00 175.55 176.27 1vhs n GLY 73 N 4.51 2.20 2.85 8.97 0.00 -1.26 -4.67 105.19 117.79 1vhs n GLY 73 Ca -0.20 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 1vhs n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vhs s ARG 74 N 4.06 0.24 0.36 1.61 1.81 -1.26 -5.05 118.95 120.72 1vhs s ARG 74 Ca 0.17 0.02 0.16 0.00 -1.72 0.00 0.00 55.73 54.37 1vhs s ARG 74 Cb 0.05 -0.35 1.08 0.00 -0.45 0.00 0.00 34.95 35.27 1vhs s ARG 74 CO -0.01 -0.07 1.71 -1.35 -0.68 0.00 0.00 175.30 174.90 1vhs h PRO 75 N 6.82 0.38 -0.17 3.54 0.11 -2.01 0.54 132.00 141.21 1vhs h PRO 75 Ca -0.37 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.77 1vhs h PRO 75 Cb 1.16 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1vhs h PRO 75 CO 0.49 0.25 0.16 0.00 -0.21 0.00 0.00 178.00 178.70 1vhs h ALA 76 N 1.71 1.86 -0.62 -0.75 0.00 -1.96 -0.96 119.26 118.53 1vhs h ALA 76 Ca 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1vhs h ALA 76 Cb 1.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1vhs h ALA 76 CO -0.45 -0.25 0.00 0.66 0.00 0.00 0.00 179.25 179.21 1vhs n TYR 77 N -3.96 1.24 0.18 0.00 4.02 0.18 -4.65 117.16 114.17 1vhs n TYR 77 Ca 0.01 -0.59 0.17 0.00 -0.01 0.00 0.00 57.90 57.48 1vhs n TYR 77 Cb 0.29 -0.17 0.79 0.00 -0.02 0.00 0.00 39.34 40.23 1vhs n TYR 77 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1vhs h ASN 78 N 3.83 0.00 -0.33 7.72 2.35 -1.19 -0.16 115.58 127.79 1vhs h ASN 78 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vhs h ASN 78 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1vhs h ASN 78 CO 0.16 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.23 1vhs n LYS 79 N -3.93 2.08 -4.78 0.81 5.02 -1.26 -4.84 118.16 111.25 1vhs n LYS 79 Ca 0.03 -1.64 -0.33 0.00 -2.02 0.00 0.00 58.31 54.35 1vhs n LYS 79 Cb 0.36 -1.42 -0.14 0.00 -0.02 0.00 0.00 35.03 33.81 1vhs n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1vhs s THR 80 N -1.57 3.11 0.19 -0.18 2.01 -0.08 -0.01 115.64 119.11 1vhs s THR 80 Ca 0.34 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1vhs s THR 80 Cb 0.19 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1vhs s THR 80 CO 0.26 0.54 0.20 0.00 -0.69 0.00 0.00 174.62 174.93 1vhs s ALA 81 N 0.06 0.69 0.06 7.40 0.00 -0.36 -3.68 121.76 125.93 1vhs s ALA 81 Ca -0.05 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 50.58 1vhs s ALA 81 Cb -0.14 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 1vhs s ALA 81 CO 0.04 -0.62 -0.13 -1.21 0.00 0.00 0.00 175.76 173.84 1vhs s GLU 82 N -4.08 2.18 -0.02 0.00 2.02 0.35 -4.20 118.70 114.95 1vhs s GLU 82 Ca 0.30 -0.95 0.05 0.00 0.02 0.00 0.00 54.97 54.39 1vhs s GLU 82 Cb 0.05 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1vhs s GLU 82 CO 0.08 0.54 -0.17 0.54 0.02 0.00 0.00 175.26 176.27 1vhs s VAL 83 N -1.05 1.31 -0.01 2.63 0.11 -1.26 -0.97 120.40 121.17 1vhs s VAL 83 Ca 0.17 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1vhs s VAL 83 Cb -0.11 -1.10 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1vhs s VAL 83 CO 0.09 0.37 -0.09 -0.94 -3.33 0.00 0.00 175.10 171.20 1vhs s SER 84 N -0.35 1.07 -0.07 3.54 1.04 -0.56 -4.45 113.70 113.92 1vhs s SER 84 Ca 0.05 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1vhs s SER 84 Cb -0.07 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.92 1vhs s SER 84 CO -0.00 0.10 -0.04 -0.63 0.98 0.00 0.00 173.24 173.64 1vhs s ILE 85 N -0.12 0.62 -0.01 -1.02 1.01 -1.26 -0.58 121.20 119.84 1vhs s ILE 85 Ca 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1vhs s ILE 85 Cb -0.04 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 1vhs s ILE 85 CO -0.00 0.27 -0.19 -0.31 0.00 0.00 0.00 174.94 174.71 1vhs s TYR 86 N 1.40 1.74 0.11 3.97 1.51 -0.76 -5.01 117.35 120.31 1vhs s TYR 86 Ca -0.03 -0.33 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 1vhs s TYR 86 Cb -0.13 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1vhs s TYR 86 CO -0.03 -0.02 -0.24 0.42 -1.11 0.00 0.00 175.55 174.57 1vhs s ILE 87 N -0.48 1.98 0.77 2.71 1.01 -1.26 -1.35 121.20 124.57 1vhs s ILE 87 Ca 0.07 -1.62 -0.12 0.00 0.00 0.00 0.00 60.65 58.98 1vhs s ILE 87 Cb -0.08 -1.76 0.06 0.00 0.01 0.00 0.00 42.46 40.69 1vhs s ILE 87 CO -0.01 0.04 1.13 -0.62 0.00 0.00 0.00 174.94 175.48 1vhs s ASP 88 N -1.92 4.23 0.32 3.58 3.68 0.56 -4.72 116.67 122.40 1vhs s ASP 88 Ca 0.10 2.06 0.01 0.00 2.13 0.00 0.00 52.55 56.85 1vhs s ASP 88 Cb -0.10 -2.55 0.54 0.00 -1.45 0.00 0.00 42.92 39.35 1vhs s ASP 88 CO 0.05 -2.23 1.92 1.05 0.13 0.00 0.00 175.17 176.10 1vhs h GLU 89 N -0.85 0.81 -0.00 4.34 -0.00 -1.89 -1.92 114.58 115.07 1vhs h GLU 89 Ca -0.45 -0.10 0.00 0.00 -0.00 0.00 0.00 59.36 58.81 1vhs h GLU 89 Cb 1.26 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 1vhs h GLU 89 CO 0.49 0.63 -0.01 0.00 -0.00 0.00 0.00 179.01 180.12 1vhs n ALA 90 N -2.45 2.65 -0.10 1.06 0.00 -1.26 -3.59 120.51 116.82 1vhs n ALA 90 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1vhs n ALA 90 Cb 0.13 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1vhs n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhs s ARG 92 N -0.27 2.72 0.00 0.00 3.00 -0.77 -4.04 118.95 119.59 1vhs s ARG 92 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 55.73 56.19 1vhs s ARG 92 Cb 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 34.95 30.59 1vhs s ARG 92 CO 0.00 -2.64 0.00 0.41 0.00 0.00 0.00 175.30 173.07 1vhs n GLY 93 N 5.65 0.22 0.94 -3.53 0.00 -1.26 -5.06 105.19 102.15 1vhs n GLY 93 Ca 0.17 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 1vhs n GLY 93 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vhs n LYS 94 N 0.00 0.08 -0.98 1.61 2.85 -1.26 -4.96 118.16 115.50 1vhs n LYS 94 Ca 0.00 -0.64 0.00 0.00 -1.05 0.00 0.00 58.31 56.62 1vhs n LYS 94 Cb 0.00 0.48 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 1vhs n LYS 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vhs n GLY 95 N -0.09 0.23 0.10 2.58 0.00 -1.26 -4.87 105.19 101.89 1vhs n GLY 95 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1vhs n GLY 95 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vhs h VAL 96 N 0.00 1.18 -0.53 1.61 2.07 -1.93 -2.35 116.25 116.30 1vhs h VAL 96 Ca 0.00 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.07 1vhs h VAL 96 Cb 0.53 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 1vhs h VAL 96 CO 0.00 0.17 0.01 1.23 0.02 0.00 0.00 177.57 179.00 1vhs h GLY 97 N 0.06 0.55 1.05 2.17 0.00 -1.91 0.13 103.07 105.11 1vhs h GLY 97 Ca 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1vhs h GLY 97 CO -0.00 -0.15 0.28 0.23 0.00 0.00 0.00 176.54 176.90 1vhs h SER 98 N 0.12 1.07 -0.26 0.19 0.87 -1.94 -0.52 113.55 113.07 1vhs h SER 98 Ca 0.27 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1vhs h SER 98 Cb 0.41 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1vhs h SER 98 CO -0.44 0.97 0.11 0.22 -0.53 0.00 0.00 176.83 177.16 1vhs h TYR 99 N 1.11 0.39 -0.64 2.24 3.20 -0.72 -0.76 116.97 121.78 1vhs h TYR 99 Ca 0.25 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1vhs h TYR 99 Cb 0.25 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1vhs h TYR 99 CO 0.02 0.38 0.26 -0.07 -1.64 0.00 0.00 178.16 177.12 1vhs h LEU 100 N 0.28 0.88 -0.78 2.82 3.38 -0.53 -0.43 115.31 120.92 1vhs h LEU 100 Ca 0.09 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1vhs h LEU 100 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1vhs h LEU 100 CO -0.01 0.80 -0.25 0.25 0.09 0.00 0.00 178.44 179.32 1vhs h LEU 101 N 0.90 0.66 -0.63 1.67 5.85 -1.00 0.26 115.31 123.00 1vhs h LEU 101 Ca 0.21 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1vhs h LEU 101 Cb 0.19 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1vhs h LEU 101 CO -0.02 0.89 0.34 -0.61 -0.34 0.00 0.00 178.44 178.70 1vhs h GLN 102 N 0.56 0.88 -0.46 1.25 4.15 -0.64 -0.96 115.11 119.89 1vhs h GLN 102 Ca 0.08 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 1vhs h GLN 102 Cb 0.73 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1vhs h GLN 102 CO 0.06 0.67 -0.22 0.93 -1.93 0.00 0.00 178.83 178.34 1vhs h GLU 103 N 0.86 0.95 -0.80 1.69 4.39 -0.74 -1.69 114.58 119.24 1vhs h GLU 103 Ca 0.22 -0.40 0.01 0.00 0.34 0.00 0.00 59.36 59.53 1vhs h GLU 103 Cb 0.05 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1vhs h GLU 103 CO -0.03 1.06 0.53 0.00 -1.16 0.00 0.00 179.01 179.41 1vhs h ALA 104 N 0.92 1.02 0.00 3.43 0.00 -0.56 -1.05 119.26 123.02 1vhs h ALA 104 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1vhs h ALA 104 Cb 0.78 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1vhs h ALA 104 CO 0.06 0.42 -0.33 -0.07 0.00 0.00 0.00 179.25 179.33 1vhs h LEU 105 N 1.08 0.00 -0.12 0.00 3.38 -0.92 -0.22 115.31 118.49 1vhs h LEU 105 Ca 0.30 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.07 1vhs h LEU 105 Cb -0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1vhs h LEU 105 CO -0.07 0.33 -0.69 -0.09 0.09 0.00 0.00 178.44 178.01 1vhs h ARG 106 N 0.00 0.69 -0.23 1.13 2.43 -0.53 -3.33 114.38 114.54 1vhs h ARG 106 Ca -0.00 -0.57 -0.17 0.00 -0.81 0.00 0.00 59.98 58.42 1vhs h ARG 106 Cb 0.70 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1vhs h ARG 106 CO 0.04 1.19 -0.52 0.82 -1.51 0.00 0.00 179.97 179.99 1vhs h ILE 107 N 0.37 1.30 -0.85 1.20 2.04 -0.95 -3.37 117.51 117.24 1vhs h ILE 107 Ca -0.05 -1.73 0.15 0.00 1.00 0.00 0.00 64.86 64.23 1vhs h ILE 107 Cb 1.33 1.79 -0.15 0.00 -0.74 0.00 0.00 36.82 39.06 1vhs h ILE 107 CO 0.14 0.55 -0.33 0.00 0.00 0.00 0.00 178.15 178.51 1vhs h ALA 108 N 0.62 0.20 -0.62 1.87 0.00 -1.15 0.43 119.26 120.61 1vhs h ALA 108 Ca -0.00 0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1vhs h ALA 108 Cb 1.13 0.86 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 1vhs h ALA 108 CO 0.11 -0.58 0.41 -1.35 0.00 0.00 0.00 179.25 177.84 1vhs h PRO 109 N -0.05 0.58 0.00 0.00 0.11 -1.73 0.10 132.00 131.00 1vhs h PRO 109 Ca 0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1vhs h PRO 109 Cb 0.60 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1vhs h PRO 109 CO -0.88 0.38 0.00 -0.91 -0.21 0.00 0.00 178.00 176.38 1vhs h ASN 110 N 0.59 0.00 -0.27 -2.05 2.35 -1.12 -1.58 115.58 113.50 1vhs h ASN 110 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1vhs h ASN 110 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1vhs h ASN 110 CO -0.08 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.88 1vhs n LEU 111 N -2.82 2.75 -0.02 1.61 4.77 -0.01 -4.93 117.00 118.35 1vhs n LEU 111 Ca 0.00 -1.14 -0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1vhs n LEU 111 Cb 0.22 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1vhs n LEU 111 CO 0.23 0.57 -0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1vhs n GLY 112 N 1.35 0.41 3.71 -0.72 0.00 -0.59 -4.93 105.19 104.42 1vhs n GLY 112 Ca 0.18 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 1vhs n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhs s ILE 113 N -2.01 5.13 -0.14 -0.61 1.01 -1.01 -4.52 121.20 119.05 1vhs s ILE 113 Ca 0.00 1.10 0.06 0.00 0.00 0.00 0.00 60.65 61.81 1vhs s ILE 113 Cb 0.00 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.46 1vhs s ILE 113 CO 0.00 0.27 -0.06 -1.14 0.00 0.00 0.00 174.94 174.02 1vhs n ARG 114 N 3.93 1.11 -4.68 2.79 0.63 0.99 -4.20 116.66 117.23 1vhs n ARG 114 Ca -0.05 0.05 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 1vhs n ARG 114 Cb 0.51 -1.32 -0.17 0.00 0.45 0.00 0.00 32.46 31.93 1vhs n ARG 114 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1vhs s SER 115 N -5.10 2.89 0.45 6.15 0.01 -0.72 -0.27 113.70 117.12 1vhs s SER 115 Ca -0.15 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.61 1vhs s SER 115 Cb 0.05 -1.33 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 1vhs s SER 115 CO 0.44 0.07 0.01 -0.22 0.41 0.00 0.00 173.24 173.95 1vhs s LEU 116 N 0.80 2.59 -0.29 2.44 2.96 -0.17 -1.23 118.68 125.78 1vhs s LEU 116 Ca -0.09 -1.50 -0.19 0.00 -0.22 0.00 0.00 54.13 52.14 1vhs s LEU 116 Cb -0.16 -0.80 0.17 0.00 0.50 0.00 0.00 46.19 45.91 1vhs s LEU 116 CO -0.00 -0.64 1.14 0.00 -1.32 0.00 0.00 176.35 175.53 1vhs s ALA 118 N -2.81 -2.35 -0.33 5.97 0.00 0.38 -1.04 121.76 121.58 1vhs s ALA 118 Ca 0.22 2.01 -0.11 0.00 0.00 0.00 0.00 51.96 54.08 1vhs s ALA 118 Cb 0.06 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 1vhs s ALA 118 CO 0.11 -0.28 0.18 -0.06 0.00 0.00 0.00 175.76 175.71 1vhs s PHE 119 N 0.89 3.20 -0.02 0.00 0.40 -1.26 -0.61 117.98 120.57 1vhs s PHE 119 Ca -0.04 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1vhs s PHE 119 Cb -0.04 -2.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 1vhs s PHE 119 CO -0.12 -0.44 -0.18 0.42 0.70 0.00 0.00 175.22 175.59 1vhs s ILE 120 N 1.64 1.46 0.24 0.64 1.01 0.11 -4.95 121.20 121.34 1vhs s ILE 120 Ca 0.05 -0.77 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 1vhs s ILE 120 Cb -0.17 -1.23 -0.12 0.00 0.01 0.00 0.00 42.46 40.96 1vhs s ILE 120 CO 0.08 0.41 1.67 -0.36 0.00 0.00 0.00 174.94 176.74 1vhs s PHE 121 N -0.26 2.86 0.54 3.97 2.99 -1.26 0.02 117.98 126.83 1vhs s PHE 121 Ca 0.03 0.52 0.31 0.00 0.00 0.00 0.00 56.93 57.79 1vhs s PHE 121 Cb -0.09 -4.10 1.48 0.00 0.00 0.00 0.00 43.02 40.31 1vhs s PHE 121 CO 0.00 -4.00 1.89 0.78 -0.00 0.00 0.00 175.22 173.89 1vhs h GLY 122 N 6.07 0.00 -4.53 4.36 0.00 -1.83 -2.71 103.07 104.43 1vhs h GLY 122 Ca -0.44 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.43 1vhs h GLY 122 CO 0.89 0.00 0.55 1.42 0.00 0.00 0.00 176.54 179.40 1vhs n HIS 123 N -4.23 1.32 -3.06 5.60 8.25 -1.26 -4.42 115.22 117.41 1vhs n HIS 123 Ca 0.17 -1.97 -0.19 0.00 -0.26 0.00 0.00 57.72 55.48 1vhs n HIS 123 Cb 0.93 -1.53 -0.03 0.00 1.12 0.00 0.00 29.99 30.48 1vhs n HIS 123 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1vhs n ASN 124 N 1.50 -0.63 -0.34 0.41 2.85 -1.02 -4.99 115.26 113.03 1vhs n ASN 124 Ca 0.50 -2.91 0.05 0.00 -0.11 0.00 0.00 54.58 52.11 1vhs n ASN 124 Cb 0.60 0.08 0.23 0.00 1.24 0.00 0.00 39.78 41.92 1vhs n ASN 124 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1vhs h LYS 125 N 3.86 1.02 -0.62 1.20 1.79 -1.87 -1.68 116.57 120.27 1vhs h LYS 125 Ca 0.01 -0.06 0.07 0.00 -2.18 0.00 0.00 60.65 58.49 1vhs h LYS 125 Cb 0.93 -0.23 -0.06 0.00 -1.58 0.00 0.00 32.23 31.30 1vhs h LYS 125 CO 0.42 0.67 0.31 -1.35 -1.08 0.00 0.00 179.45 178.43 1vhs h PRO 126 N 1.05 0.56 -0.28 3.15 0.11 -1.98 -0.09 132.00 134.52 1vhs h PRO 126 Ca 0.44 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.41 1vhs h PRO 126 Cb 0.32 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1vhs h PRO 126 CO -0.20 0.37 -0.24 1.03 -0.21 0.00 0.00 178.00 178.75 1vhs h SER 127 N 0.57 0.70 -0.46 -2.05 0.87 -1.86 -2.24 113.55 109.09 1vhs h SER 127 Ca 0.29 -0.46 0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1vhs h SER 127 Cb 0.23 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1vhs h SER 127 CO -0.21 1.01 0.15 0.25 -0.53 0.00 0.00 176.83 177.51 1vhs h LEU 128 N 0.39 0.15 -0.41 2.23 5.85 -0.87 -1.45 115.31 121.20 1vhs h LEU 128 Ca 0.05 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1vhs h LEU 128 Cb 0.80 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1vhs h LEU 128 CO 0.06 0.11 0.25 0.11 -0.34 0.00 0.00 178.44 178.63 1vhs h LYS 129 N 0.32 0.56 -0.16 1.25 6.56 -0.95 -0.99 116.57 123.16 1vhs h LYS 129 Ca 0.22 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.80 1vhs h LYS 129 Cb 0.23 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.73 1vhs h LYS 129 CO -0.23 0.42 -0.12 1.25 -2.06 0.00 0.00 179.45 178.70 1vhs h LEU 130 N 0.54 -0.38 -0.87 2.94 5.85 -0.77 -1.68 115.31 120.94 1vhs h LEU 130 Ca 0.15 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1vhs h LEU 130 Cb 0.00 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1vhs h LEU 130 CO -0.03 -0.16 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.64 1vhs h PHE 131 N -0.13 0.88 -0.13 1.25 -1.00 -1.13 -2.76 116.94 113.91 1vhs h PHE 131 Ca 0.10 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1vhs h PHE 131 Cb 0.27 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1vhs h PHE 131 CO -0.25 0.82 -0.08 0.93 -1.61 0.00 0.00 178.31 178.11 1vhs h GLU 132 N 0.76 0.20 0.00 1.51 5.08 -0.76 -0.77 114.58 120.60 1vhs h GLU 132 Ca 0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1vhs h GLU 132 Cb 0.48 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1vhs h GLU 132 CO 0.02 0.29 -0.09 0.87 -1.00 0.00 0.00 179.01 179.10 1vhs h LYS 133 N 0.20 0.00 -0.84 2.33 1.57 -1.02 -2.99 116.57 115.82 1vhs h LYS 133 Ca 0.04 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.40 1vhs h LYS 133 Cb 0.27 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.33 1vhs h LYS 133 CO 0.01 0.09 0.47 0.72 -0.57 0.00 0.00 179.45 180.17 1vhs n HIS 134 N -3.23 2.59 -0.96 -1.35 8.25 -0.35 -4.93 115.22 115.25 1vhs n HIS 134 Ca 0.00 -1.74 0.00 0.00 -0.26 0.00 0.00 57.72 55.73 1vhs n HIS 134 Cb 0.36 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.64 1vhs n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vhs n GLY 135 N -1.05 0.66 3.83 -1.41 0.00 -1.13 -5.04 105.19 101.04 1vhs n GLY 135 Ca 0.52 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 1vhs n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vhs s PHE 136 N -2.56 3.48 0.13 1.61 0.40 -0.87 -4.62 117.98 115.55 1vhs s PHE 136 Ca 0.00 1.39 0.05 0.00 -0.60 0.00 0.00 56.93 57.77 1vhs s PHE 136 Cb 0.00 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.84 1vhs s PHE 136 CO 0.00 0.14 -0.13 0.00 0.70 0.00 0.00 175.22 175.94 1vhs s ALA 137 N -1.84 1.48 -0.08 5.36 0.00 0.08 -4.26 121.76 122.50 1vhs s ALA 137 Ca 0.52 -1.35 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1vhs s ALA 137 Cb -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1vhs s ALA 137 CO 0.18 0.04 1.42 -2.00 0.00 0.00 0.00 175.76 175.41 1vhs s GLU 138 N -2.97 4.23 -0.02 0.00 2.12 -1.26 -0.54 118.70 120.27 1vhs s GLU 138 Ca 0.11 1.91 0.16 0.00 0.36 0.00 0.00 54.97 57.51 1vhs s GLU 138 Cb -0.03 -3.78 -0.23 0.00 0.26 0.00 0.00 34.13 30.36 1vhs s GLU 138 CO 0.02 -0.70 0.42 0.91 -0.54 0.00 0.00 175.26 175.37 1vhs n TRP 139 N 6.39 0.00 -3.56 5.30 8.01 0.67 -4.91 117.44 129.33 1vhs n TRP 139 Ca 0.15 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.28 1vhs n TRP 139 Cb 0.44 -0.27 -0.02 0.00 -2.01 0.00 0.00 31.31 29.45 1vhs n TRP 139 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1vhs s GLY 140 N -3.49 -0.39 -0.14 6.99 0.00 -0.97 -4.97 107.32 104.35 1vhs s GLY 140 Ca -0.03 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 45.74 1vhs s GLY 140 CO 0.65 0.35 0.21 -2.27 0.00 0.00 0.00 173.10 172.05 1vhs s LEU 141 N -2.47 -0.15 -0.51 0.66 0.20 -1.26 -0.66 118.68 114.49 1vhs s LEU 141 Ca 0.08 0.19 -0.14 0.00 0.69 0.00 0.00 54.13 54.95 1vhs s LEU 141 Cb -0.01 0.44 0.12 0.00 -0.43 0.00 0.00 46.19 46.31 1vhs s LEU 141 CO -0.06 -0.28 0.43 -0.36 -0.29 0.00 0.00 176.35 175.79 1vhs s PHE 142 N 2.34 3.31 0.02 5.38 0.08 -0.13 -4.97 117.98 124.01 1vhs s PHE 142 Ca 0.04 -1.45 -0.30 0.00 0.12 0.00 0.00 56.93 55.35 1vhs s PHE 142 Cb -0.13 -3.61 -0.08 0.00 -0.57 0.00 0.00 43.02 38.62 1vhs s PHE 142 CO -0.09 -0.98 1.95 -1.25 -0.10 0.00 0.00 175.22 174.75 1vhs s PRO 143 N 1.52 4.11 -1.66 0.24 0.04 -1.26 -1.65 135.00 136.34 1vhs s PRO 143 Ca 0.04 2.56 -0.19 0.00 0.04 0.00 0.00 61.00 63.45 1vhs s PRO 143 Cb -0.28 -4.16 0.18 0.00 0.04 0.00 0.00 34.50 30.28 1vhs s PRO 143 CO 0.02 -0.99 0.65 0.41 0.04 0.00 0.00 177.00 177.13 1vhs n GLY 144 N 4.55 -0.43 0.00 0.56 0.00 -1.19 -4.83 105.19 103.85 1vhs n GLY 144 Ca 0.20 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.45 1vhs n GLY 144 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vhs n ILE 145 N -4.11 0.00 -4.67 -0.61 -5.35 -0.95 -4.48 119.36 99.20 1vhs n ILE 145 Ca 0.09 -0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.23 1vhs n ILE 145 Cb 0.48 -0.35 -0.12 0.00 -1.74 0.00 0.00 39.64 37.91 1vhs n ILE 145 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vhs s ALA 146 N -2.97 2.89 0.26 -1.28 0.00 -0.96 -4.98 121.76 114.72 1vhs s ALA 146 Ca 0.14 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1vhs s ALA 146 Cb 0.19 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1vhs s ALA 146 CO 0.56 0.50 0.05 -2.00 0.00 0.00 0.00 175.76 174.87 1vhs s GLU 147 N -0.56 1.43 0.00 0.00 2.12 -1.26 0.58 118.70 121.00 1vhs s GLU 147 Ca 0.08 -1.76 0.00 0.00 0.36 0.00 0.00 54.97 53.65 1vhs s GLU 147 Cb -0.12 -0.53 0.00 0.00 0.26 0.00 0.00 34.13 33.74 1vhs s GLU 147 CO 0.02 -0.19 0.00 -0.25 -0.54 0.00 0.00 175.26 174.29 1vhs n ASP 149 N -0.49 0.00 -0.06 -1.70 8.00 -1.26 -4.94 116.55 116.10 1vhs n ASP 149 Ca -0.03 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.47 1vhs n ASP 149 Cb 0.65 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1vhs n ASP 149 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vhs n GLY 150 N -0.14 0.26 3.35 0.44 0.00 -1.26 -4.98 105.19 102.86 1vhs n GLY 150 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1vhs n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vhs s LYS 151 N -1.32 3.22 0.01 1.61 -0.14 -1.26 -5.12 119.74 116.74 1vhs s LYS 151 Ca 0.00 -0.73 -0.05 0.00 -1.36 0.00 0.00 55.97 53.83 1vhs s LYS 151 Cb 0.00 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 1vhs s LYS 151 CO 0.00 0.25 0.24 1.03 -0.76 0.00 0.00 175.35 176.11 1vhs s ARG 152 N 0.24 3.53 0.04 1.68 0.52 -1.26 -4.34 118.95 119.36 1vhs s ARG 152 Ca -0.11 -0.18 0.05 0.00 -0.52 0.00 0.00 55.73 54.97 1vhs s ARG 152 Cb -0.16 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 1vhs s ARG 152 CO 0.06 0.65 -0.13 0.71 0.02 0.00 0.00 175.30 176.60 1vhs s TYR 153 N -1.33 1.15 0.48 -0.53 1.51 0.19 -4.85 117.35 113.96 1vhs s TYR 153 Ca 0.28 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.84 1vhs s TYR 153 Cb -0.13 -0.68 -0.07 0.00 -0.11 0.00 0.00 41.96 40.96 1vhs s TYR 153 CO 0.18 0.02 0.92 -0.51 -1.11 0.00 0.00 175.55 175.05 1vhs s ASP 154 N -1.15 6.59 -0.21 2.29 -0.00 -1.26 -2.23 116.67 120.70 1vhs s ASP 154 Ca 0.01 1.43 0.01 0.00 -0.00 0.00 0.00 52.55 54.00 1vhs s ASP 154 Cb -0.08 -2.45 0.04 0.00 -0.00 0.00 0.00 42.92 40.43 1vhs s ASP 154 CO 0.01 -0.52 -0.14 -0.22 -0.00 0.00 0.00 175.17 174.30 1vhs s LEU 155 N -3.99 2.49 -0.12 1.23 2.96 -0.66 -2.55 118.68 118.04 1vhs s LEU 155 Ca 0.56 -0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 1vhs s LEU 155 Cb -0.10 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1vhs s LEU 155 CO 0.31 -0.11 0.12 -0.75 -1.32 0.00 0.00 176.35 174.60 1vhs s LYS 156 N 1.29 3.45 -0.21 1.98 2.20 0.10 -0.96 119.74 127.59 1vhs s LYS 156 Ca -0.01 -0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.38 1vhs s LYS 156 Cb -0.16 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1vhs s LYS 156 CO -0.09 0.72 -0.02 0.42 -0.36 0.00 0.00 175.35 176.02 1vhs s ILE 157 N -0.87 3.62 -0.06 5.43 -1.09 0.16 -0.71 121.20 127.67 1vhs s ILE 157 Ca 0.14 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1vhs s ILE 157 Cb -0.12 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 1vhs s ILE 157 CO 0.03 0.42 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.39 1vhs s LEU 158 N 1.29 3.46 0.08 2.97 1.43 0.22 -0.24 118.68 127.90 1vhs s LEU 158 Ca 0.04 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1vhs s LEU 158 Cb -0.14 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1vhs s LEU 158 CO -0.01 0.35 -0.13 -0.83 0.23 0.00 0.00 176.35 175.97 1vhs s GLY 159 N -1.00 0.84 -0.03 -3.19 0.00 0.30 -0.47 107.32 103.76 1vhs s GLY 159 Ca 0.14 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 1vhs s GLY 159 CO 0.04 -1.07 0.06 -1.60 0.00 0.00 0.00 173.10 170.53 1vhs s ARG 160 N -1.98 0.01 -0.20 2.90 6.06 -0.21 -0.74 118.95 124.78 1vhs s ARG 160 Ca -0.01 0.22 -0.07 0.00 -2.50 0.00 0.00 55.73 53.37 1vhs s ARG 160 Cb -0.08 -0.19 -0.04 0.00 0.06 0.00 0.00 34.95 34.70 1vhs s ARG 160 CO 0.02 -0.14 0.05 -2.00 -2.50 0.00 0.00 175.30 170.73 1vhs s GLU 161 N 0.94 3.83 -0.52 5.12 2.12 -1.26 -0.99 118.70 127.94 1vhs s GLU 161 Ca -0.08 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.56 1vhs s GLU 161 Cb -0.11 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.09 1vhs s GLU 161 CO -0.03 0.11 1.20 -0.51 -0.54 0.00 0.00 175.26 175.49 1vhs s LEU 162 N 0.80 3.54 0.38 2.70 2.01 0.63 -4.98 118.68 123.76 1vhs s LEU 162 Ca 0.03 0.34 -0.27 0.00 0.01 0.00 0.00 54.13 54.24 1vhs s LEU 162 Cb -0.14 -3.36 -0.11 0.00 0.01 0.00 0.00 46.19 42.59 1vhs s LEU 162 CO 0.02 -1.39 1.26 -0.24 1.01 0.00 0.00 176.35 177.01 1vhs n SER 163 N 8.29 2.55 -0.45 2.29 2.88 -1.26 -4.91 113.62 123.01 1vhs n SER 163 Ca 0.11 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 58.95 1vhs n SER 163 Cb 0.49 -1.48 0.55 0.00 -0.75 0.00 0.00 64.21 63.02 1vhs n SER 163 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19