#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvb s PHE 2 N 0.00 -1.13 0.23 0.66 2.19 -1.26 -4.41 117.98 114.26 2pvb s PHE 2 Ca 0.00 2.04 -0.31 0.00 0.33 0.00 0.00 56.93 58.99 2pvb s PHE 2 Cb 0.00 0.62 -0.14 0.00 -1.31 0.00 0.00 43.02 42.19 2pvb s PHE 2 CO 0.00 -0.59 1.23 0.00 1.83 0.00 0.00 175.22 177.70 2pvb n ALA 3 N 5.24 0.16 0.00 11.12 0.00 -1.26 -1.40 120.51 134.38 2pvb n ALA 3 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2pvb n ALA 3 Cb 0.51 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2pvb n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvb n GLY 4 N 1.84 3.04 3.80 0.00 0.00 -1.26 -5.03 105.19 107.58 2pvb n GLY 4 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 2pvb n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pvb s LEU 6 N 0.00 3.73 0.02 0.99 1.43 -0.49 -5.10 118.68 119.25 2pvb s LEU 6 Ca 0.00 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 2pvb s LEU 6 Cb 0.00 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2pvb s LEU 6 CO 0.00 -0.05 0.88 -0.75 0.23 0.00 0.00 176.35 176.66 2pvb s LYS 7 N -3.83 4.55 0.26 1.70 2.20 -1.26 -4.64 119.74 118.72 2pvb s LYS 7 Ca 0.33 1.26 -0.02 0.00 -0.36 0.00 0.00 55.97 57.18 2pvb s LYS 7 Cb -0.08 -3.42 0.50 0.00 -1.51 0.00 0.00 37.83 33.32 2pvb s LYS 7 CO 0.24 0.08 1.77 -0.44 -0.36 0.00 0.00 175.35 176.64 2pvb h ASP 8 N 6.36 0.54 -0.20 1.43 3.32 -1.97 -0.98 116.42 124.93 2pvb h ASP 8 Ca -0.42 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.65 2pvb h ASP 8 Cb 1.21 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 2pvb h ASP 8 CO 0.74 0.25 -0.06 0.00 -1.72 0.00 0.00 179.24 178.45 2pvb h ALA 9 N 1.53 1.29 -0.38 3.45 0.00 -1.99 0.59 119.26 123.76 2pvb h ALA 9 Ca 0.44 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2pvb h ALA 9 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2pvb h ALA 9 CO -0.34 0.47 -0.15 -0.44 0.00 0.00 0.00 179.25 178.79 2pvb h ASP 10 N 0.50 0.79 -0.23 0.00 3.32 -1.52 -0.93 116.42 118.35 2pvb h ASP 10 Ca 0.10 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 2pvb h ASP 10 Cb 0.41 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2pvb h ASP 10 CO 0.02 1.00 0.14 0.58 -1.72 0.00 0.00 179.24 179.26 2pvb h VAL 11 N 0.57 1.09 -0.66 -1.35 2.07 -0.78 -0.42 116.25 116.78 2pvb h VAL 11 Ca 0.09 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2pvb h VAL 11 Cb 0.69 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2pvb h VAL 11 CO 0.05 0.09 0.28 0.00 0.02 0.00 0.00 177.57 178.01 2pvb h ALA 12 N 1.04 1.26 -0.51 1.67 0.00 -0.86 -0.79 119.26 121.07 2pvb h ALA 12 Ca 0.08 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2pvb h ALA 12 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2pvb h ALA 12 CO -0.02 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.66 2pvb h ALA 13 N 1.37 0.70 -0.80 0.00 0.00 -0.94 -1.10 119.26 118.50 2pvb h ALA 13 Ca 0.22 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2pvb h ALA 13 Cb 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2pvb h ALA 13 CO -0.02 0.63 0.34 0.00 0.00 0.00 0.00 179.25 180.19 2pvb h ALA 14 N 0.90 1.03 -0.56 0.00 0.00 -0.64 -0.90 119.26 119.09 2pvb h ALA 14 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2pvb h ALA 14 Cb 0.70 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2pvb h ALA 14 CO 0.05 0.64 0.04 -0.07 0.00 0.00 0.00 179.25 179.92 2pvb h LEU 15 N 1.15 0.93 -1.16 0.00 3.38 -1.00 -2.70 115.31 115.91 2pvb h LEU 15 Ca 0.27 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2pvb h LEU 15 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2pvb h LEU 15 CO -0.03 0.98 0.30 0.00 0.09 0.00 0.00 178.44 179.79 2pvb h ALA 16 N 0.98 1.35 0.00 1.53 0.00 -0.90 -2.79 119.26 119.44 2pvb h ALA 16 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pvb h ALA 16 Cb 0.48 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pvb h ALA 16 CO 0.02 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 2pvb h ALA 17 N 1.45 1.02 -0.27 0.00 0.00 -0.84 -2.48 119.26 118.14 2pvb h ALA 17 Ca 0.22 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2pvb h ALA 17 Cb 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2pvb h ALA 17 CO -0.03 0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 2pvb h SER 19 N 1.07 0.53 -3.62 0.00 4.64 -1.24 -3.42 113.55 111.52 2pvb h SER 19 Ca 0.13 -0.05 -0.51 0.00 -0.47 0.00 0.00 61.79 60.89 2pvb h SER 19 Cb 1.49 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2pvb h SER 19 CO 0.28 0.48 0.40 0.00 -0.87 0.00 0.00 176.83 177.12 2pvb s ALA 20 N -5.29 3.31 0.32 5.18 0.00 -1.26 -5.00 121.76 119.02 2pvb s ALA 20 Ca -0.08 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 2pvb s ALA 20 Cb 0.17 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.88 2pvb s ALA 20 CO 0.75 -0.03 1.44 0.00 0.00 0.00 0.00 175.76 177.93 2pvb n ALA 21 N 2.28 1.87 -0.98 0.00 0.00 -1.26 -1.63 120.51 120.78 2pvb n ALA 21 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2pvb n ALA 21 Cb 0.48 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2pvb n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pvb n ASP 22 N 1.33 -3.33 -0.21 0.00 8.00 -1.26 -4.88 116.55 116.18 2pvb n ASP 22 Ca 0.06 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.68 2pvb n ASP 22 Cb 0.36 -1.21 0.15 0.00 -0.02 0.00 0.00 41.12 40.40 2pvb n ASP 22 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2pvb n SER 23 N -0.23 1.19 -4.75 -2.24 3.41 -0.65 -4.94 113.62 105.42 2pvb n SER 23 Ca 0.00 -0.95 -0.41 0.00 -0.26 0.00 0.00 58.87 57.25 2pvb n SER 23 Cb 0.11 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2pvb n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2pvb s PHE 24 N -2.70 3.18 -0.24 7.33 5.36 -1.26 -4.79 117.98 124.86 2pvb s PHE 24 Ca 0.17 1.23 -0.02 0.00 -0.96 0.00 0.00 56.93 57.35 2pvb s PHE 24 Cb 0.18 -3.65 0.08 0.00 -0.34 0.00 0.00 43.02 39.29 2pvb s PHE 24 CO 0.64 -1.99 0.06 0.15 -1.46 0.00 0.00 175.22 172.62 2pvb s LYS 25 N -0.54 0.71 0.27 10.12 1.02 -1.26 -5.00 119.74 125.06 2pvb s LYS 25 Ca 0.55 -0.70 -0.00 0.00 0.02 0.00 0.00 55.97 55.84 2pvb s LYS 25 Cb -0.38 -2.03 0.51 0.00 -0.52 0.00 0.00 37.83 35.40 2pvb s LYS 25 CO 0.42 -0.79 1.83 1.12 -0.92 0.00 0.00 175.35 177.01 2pvb h HIS 26 N 8.18 1.07 -0.16 3.18 2.07 -1.96 0.22 115.15 127.75 2pvb h HIS 26 Ca -0.16 0.03 -0.11 0.00 -2.85 0.00 0.00 60.37 57.29 2pvb h HIS 26 Cb 1.07 -0.34 -0.01 0.00 2.57 0.00 0.00 27.41 30.70 2pvb h HIS 26 CO 0.33 0.43 -0.37 0.87 -3.07 0.00 0.00 177.93 176.11 2pvb h LYS 27 N 0.94 0.35 -0.43 5.12 1.57 -1.96 -0.02 116.57 122.14 2pvb h LYS 27 Ca 0.47 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 2pvb h LYS 27 Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2pvb h LYS 27 CO -0.26 0.67 -0.09 0.93 -0.57 0.00 0.00 179.45 180.13 2pvb h GLU 28 N 0.30 0.82 -0.39 3.15 5.08 -1.57 -2.64 114.58 119.32 2pvb h GLU 28 Ca 0.03 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2pvb h GLU 28 Cb 0.79 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2pvb h GLU 28 CO 0.06 0.93 0.26 0.35 -1.00 0.00 0.00 179.01 179.61 2pvb h PHE 29 N 0.64 0.49 -0.39 4.33 3.04 -0.61 -0.71 116.94 123.74 2pvb h PHE 29 Ca 0.11 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 2pvb h PHE 29 Cb 0.63 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 2pvb h PHE 29 CO 0.05 0.30 0.11 0.74 -2.02 0.00 0.00 178.31 177.49 2pvb h PHE 30 N 0.53 0.56 0.07 0.41 0.04 -0.95 -0.26 116.94 117.34 2pvb h PHE 30 Ca 0.14 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 2pvb h PHE 30 Cb -0.05 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 37.92 2pvb h PHE 30 CO -0.05 0.48 -0.03 0.00 -0.60 0.00 0.00 178.31 178.10 2pvb h ALA 31 N 1.58 -0.09 -0.72 2.45 0.00 -1.14 -1.13 119.26 120.20 2pvb h ALA 31 Ca 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2pvb h ALA 31 Cb 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2pvb h ALA 31 CO -0.01 -0.35 0.30 -0.22 0.00 0.00 0.00 179.25 178.98 2pvb h LYS 32 N -0.50 1.06 0.00 0.00 1.63 -0.69 -2.20 116.57 115.86 2pvb h LYS 32 Ca -0.01 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.60 2pvb h LYS 32 Cb 0.44 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2pvb h LYS 32 CO 0.02 0.86 -0.08 -0.24 -3.45 0.00 0.00 179.45 176.55 2pvb h VAL 33 N 1.04 0.21 0.00 2.00 3.04 -1.15 -3.44 116.25 117.96 2pvb h VAL 33 Ca 0.24 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2pvb h VAL 33 Cb 0.18 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2pvb h VAL 33 CO -0.02 0.08 0.00 0.61 -1.01 0.00 0.00 177.57 177.23 2pvb n GLY 34 N 0.13 0.50 0.24 3.17 0.00 -0.83 -4.56 105.19 103.84 2pvb n GLY 34 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2pvb n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pvb h LEU 35 N 0.00 0.60 -2.45 0.99 5.85 -1.47 -2.75 115.31 116.07 2pvb h LEU 35 Ca 0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2pvb h LEU 35 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2pvb h LEU 35 CO 0.00 0.85 -0.03 0.00 -0.34 0.00 0.00 178.44 178.92 2pvb h ALA 36 N 1.19 1.21 -0.40 1.25 0.00 -1.56 -1.83 119.26 119.13 2pvb h ALA 36 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pvb h ALA 36 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2pvb h ALA 36 CO 0.06 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 2pvb n SER 37 N -3.43 3.36 -4.83 0.00 3.41 -1.05 -4.80 113.62 106.28 2pvb n SER 37 Ca -0.02 -1.95 -0.32 0.00 -0.26 0.00 0.00 58.87 56.31 2pvb n SER 37 Cb 0.13 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 2pvb n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2pvb s LYS 38 N -1.33 3.73 0.89 4.33 -0.14 -0.69 -5.06 119.74 121.48 2pvb s LYS 38 Ca 0.36 1.01 -0.11 0.00 -1.36 0.00 0.00 55.97 55.88 2pvb s LYS 38 Cb 0.21 -2.10 0.13 0.00 -1.68 0.00 0.00 37.83 34.39 2pvb s LYS 38 CO 0.29 -0.46 1.16 -1.54 -0.76 0.00 0.00 175.35 174.04 2pvb s SER 39 N -3.07 3.03 0.23 2.83 1.04 -1.26 -4.76 113.70 111.75 2pvb s SER 39 Ca 0.60 2.23 -0.07 0.00 0.48 0.00 0.00 55.95 59.19 2pvb s SER 39 Cb -0.12 -2.57 0.31 0.00 0.10 0.00 0.00 66.02 63.74 2pvb s SER 39 CO 0.35 -3.04 1.83 0.25 0.98 0.00 0.00 173.24 173.61 2pvb h LEU 40 N -1.70 0.71 -0.49 2.42 5.85 -1.97 -0.01 115.31 120.12 2pvb h LEU 40 Ca -0.44 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.39 2pvb h LEU 40 Cb 1.27 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 2pvb h LEU 40 CO 0.42 0.45 0.09 -0.78 -0.34 0.00 0.00 178.44 178.28 2pvb h ASP 41 N 0.84 -0.01 0.09 1.25 3.58 -2.00 -0.47 116.42 119.70 2pvb h ASP 41 Ca 0.35 0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.76 2pvb h ASP 41 Cb 0.21 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2pvb h ASP 41 CO -0.19 0.02 -0.45 0.44 -2.88 0.00 0.00 179.24 176.19 2pvb h ASP 42 N 0.23 0.47 -0.68 2.28 3.32 -1.67 -2.29 116.42 118.08 2pvb h ASP 42 Ca 0.25 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2pvb h ASP 42 Cb 0.33 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2pvb h ASP 42 CO -0.33 0.86 0.18 0.58 -1.72 0.00 0.00 179.24 178.81 2pvb h VAL 43 N 0.36 1.26 -0.78 -1.35 2.07 -0.41 -2.31 116.25 115.09 2pvb h VAL 43 Ca 0.02 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.66 2pvb h VAL 43 Cb 0.93 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2pvb h VAL 43 CO 0.08 0.35 0.49 0.11 0.02 0.00 0.00 177.57 178.62 2pvb h LYS 44 N 1.01 0.92 -0.90 1.57 1.57 -0.88 -1.98 116.57 117.87 2pvb h LYS 44 Ca 0.22 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2pvb h LYS 44 Cb 0.34 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 2pvb h LYS 44 CO -0.00 0.61 0.58 0.87 -0.57 0.00 0.00 179.45 180.94 2pvb h LYS 45 N 0.95 1.06 -0.68 3.15 1.57 -0.94 -2.25 116.57 119.42 2pvb h LYS 45 Ca 0.31 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2pvb h LYS 45 Cb 0.03 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 2pvb h LYS 45 CO -0.12 0.70 0.27 0.00 -0.57 0.00 0.00 179.45 179.73 2pvb h ALA 46 N 1.39 1.19 -0.37 3.86 0.00 -0.87 -2.71 119.26 121.76 2pvb h ALA 46 Ca 0.38 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2pvb h ALA 46 Cb 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2pvb h ALA 46 CO -0.14 0.59 -0.03 0.35 0.00 0.00 0.00 179.25 180.01 2pvb h PHE 47 N 0.99 -0.08 0.00 0.00 3.57 -0.77 -2.00 116.94 118.64 2pvb h PHE 47 Ca 0.23 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2pvb h PHE 47 Cb 0.19 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2pvb h PHE 47 CO 0.02 -0.10 -0.28 1.88 -2.23 0.00 0.00 178.31 177.59 2pvb h TYR 48 N 0.07 0.00 -0.22 0.41 0.05 -1.32 -0.92 116.97 115.04 2pvb h TYR 48 Ca 0.18 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.92 2pvb h TYR 48 Cb 0.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2pvb h TYR 48 CO -0.28 0.28 -0.04 0.28 -1.05 0.00 0.00 178.16 177.36 2pvb h VAL 49 N 0.00 1.28 0.00 -2.88 2.07 -1.26 -3.25 116.25 112.21 2pvb h VAL 49 Ca -0.00 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2pvb h VAL 49 Cb 0.59 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2pvb h VAL 49 CO 0.04 0.31 -0.23 0.40 0.02 0.00 0.00 177.57 178.10 2pvb h ILE 50 N 0.16 0.56 -0.52 4.57 2.04 -0.69 -3.28 117.51 120.34 2pvb h ILE 50 Ca 0.06 -1.16 -0.46 0.00 1.00 0.00 0.00 64.86 64.30 2pvb h ILE 50 Cb 0.48 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 2pvb h ILE 50 CO 0.02 0.23 1.52 -0.67 0.00 0.00 0.00 178.15 179.25 2pvb n ASP 51 N -3.38 3.56 0.08 1.72 2.03 -0.41 -4.80 116.55 115.35 2pvb n ASP 51 Ca 0.00 -2.76 -0.00 0.00 0.52 0.00 0.00 54.79 52.55 2pvb n ASP 51 Cb 0.44 -1.70 0.29 0.00 -0.72 0.00 0.00 41.12 39.43 2pvb n ASP 51 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2pvb h GLN 52 N 8.90 0.30 -0.20 -0.67 4.20 -1.81 -2.28 115.11 123.55 2pvb h GLN 52 Ca 0.30 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2pvb h GLN 52 Cb 0.89 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2pvb h GLN 52 CO 1.36 0.54 0.00 -0.40 -0.67 0.00 0.00 178.83 179.65 2pvb n ASP 53 N -4.15 1.83 -2.77 1.46 5.75 -1.26 -4.95 116.55 112.45 2pvb n ASP 53 Ca -0.01 -1.76 -0.21 0.00 -0.01 0.00 0.00 54.79 52.81 2pvb n ASP 53 Cb 0.37 -0.13 0.03 0.00 -1.03 0.00 0.00 41.12 40.36 2pvb n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2pvb n LYS 54 N 0.44 -4.28 0.03 0.11 4.76 -0.86 -4.88 118.16 113.48 2pvb n LYS 54 Ca 0.16 0.87 0.13 0.00 -2.87 0.00 0.00 58.31 56.60 2pvb n LYS 54 Cb 0.35 -5.61 0.38 0.00 -1.84 0.00 0.00 35.03 28.32 2pvb n LYS 54 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2pvb n SER 55 N -2.21 0.42 0.00 4.39 3.41 -1.26 -4.92 113.62 113.45 2pvb n SER 55 Ca -0.12 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2pvb n SER 55 Cb 0.62 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2pvb n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pvb n GLY 56 N 1.44 0.87 3.05 5.00 0.00 -1.26 -5.05 105.19 109.25 2pvb n GLY 56 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2pvb n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pvb s PHE 57 N -2.52 0.60 -0.46 1.61 0.40 -1.26 -4.55 117.98 111.80 2pvb s PHE 57 Ca 0.00 -0.55 -0.22 0.00 -0.60 0.00 0.00 56.93 55.56 2pvb s PHE 57 Cb 0.00 -0.37 0.03 0.00 0.51 0.00 0.00 43.02 43.19 2pvb s PHE 57 CO 0.00 -0.12 0.74 0.42 0.70 0.00 0.00 175.22 176.97 2pvb s ILE 58 N -1.60 4.70 0.76 0.64 1.01 0.50 -4.77 121.20 122.43 2pvb s ILE 58 Ca -0.09 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.74 2pvb s ILE 58 Cb -0.09 -4.30 0.08 0.00 0.01 0.00 0.00 42.46 38.17 2pvb s ILE 58 CO -0.00 -0.71 1.08 -1.61 0.00 0.00 0.00 174.94 173.70 2pvb s GLU 59 N 3.16 1.94 0.29 2.79 8.01 -1.26 -1.11 118.70 132.52 2pvb s GLU 59 Ca 0.27 -0.24 -0.02 0.00 0.01 0.00 0.00 54.97 54.99 2pvb s GLU 59 Cb -0.13 -2.09 0.44 0.00 -4.31 0.00 0.00 34.13 28.03 2pvb s GLU 59 CO 0.21 -1.46 1.96 0.93 0.01 0.00 0.00 175.26 176.90 2pvb h GLU 60 N -0.81 1.10 -0.15 1.61 5.08 -1.97 -0.92 114.58 118.51 2pvb h GLU 60 Ca -0.44 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 2pvb h GLU 60 Cb 1.31 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2pvb h GLU 60 CO 0.58 0.73 -0.10 0.38 -1.00 0.00 0.00 179.01 179.60 2pvb h ASP 61 N 1.13 0.21 0.92 1.42 2.03 -1.99 0.69 116.42 120.84 2pvb h ASP 61 Ca 0.32 -0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 56.46 2pvb h ASP 61 Cb -0.08 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.35 2pvb h ASP 61 CO -0.08 0.34 -0.61 -0.33 -1.03 0.00 0.00 179.24 177.53 2pvb h GLU 62 N 0.22 0.00 -0.28 4.15 5.08 -1.57 -2.36 114.58 119.82 2pvb h GLU 62 Ca 0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2pvb h GLU 62 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2pvb h GLU 62 CO 0.02 0.61 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.44 2pvb h LEU 63 N 0.00 0.60 -1.23 1.33 3.38 -0.65 -2.04 115.31 116.70 2pvb h LEU 63 Ca -0.01 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.60 2pvb h LEU 63 Cb 1.23 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2pvb h LEU 63 CO 0.08 0.87 0.54 0.50 0.09 0.00 0.00 178.44 180.52 2pvb h LYS 64 N 0.33 0.95 -0.65 1.13 3.64 -0.70 -1.49 116.57 119.78 2pvb h LYS 64 Ca 0.06 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2pvb h LYS 64 Cb 0.64 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 2pvb h LYS 64 CO 0.04 0.63 0.12 1.28 -2.27 0.00 0.00 179.45 179.25 2pvb n LEU 65 N -4.46 5.95 -0.23 5.20 4.77 -0.90 -0.61 117.00 126.71 2pvb n LEU 65 Ca 0.11 -3.06 0.04 0.00 -0.03 0.00 0.00 56.01 53.07 2pvb n LEU 65 Cb 0.14 -0.72 0.15 0.00 -2.33 0.00 0.00 43.42 40.67 2pvb n LEU 65 CO 0.34 0.71 0.92 0.15 -1.33 0.00 0.00 177.39 178.18 2pvb h PHE 66 N 3.47 0.22 0.00 -1.77 3.57 -0.50 -0.99 116.94 120.94 2pvb h PHE 66 Ca 0.11 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2pvb h PHE 66 Cb 2.15 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.90 2pvb h PHE 66 CO 1.19 -0.08 -0.08 -0.07 -2.23 0.00 0.00 178.31 177.04 2pvb h LEU 67 N 0.25 0.00 -2.22 0.59 3.38 -1.82 -2.59 115.31 112.89 2pvb h LEU 67 Ca 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 2pvb h LEU 67 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2pvb h LEU 67 CO -0.49 0.08 -0.01 1.56 0.09 0.00 0.00 178.44 179.67 2pvb h GLN 68 N 0.00 0.00 0.00 1.13 4.20 -1.30 -0.65 115.11 118.49 2pvb h GLN 68 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pvb h GLN 68 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2pvb h GLN 68 CO 0.01 0.01 0.00 -0.91 -0.67 0.00 0.00 178.83 177.27 2pvb h ASN 69 N 0.00 0.00 0.00 1.46 2.35 -1.59 -3.22 115.58 114.58 2pvb h ASN 69 Ca -0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 2pvb h ASN 69 Cb 0.26 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.56 2pvb h ASN 69 CO 0.00 0.00 -2.32 0.49 -1.65 0.00 0.00 177.43 173.95 2pvb n PHE 70 N -2.92 0.00 -3.67 1.19 3.01 -0.32 -4.77 117.46 109.98 2pvb n PHE 70 Ca 0.01 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.38 2pvb n PHE 70 Cb 0.29 -0.94 -0.09 0.00 -0.01 0.00 0.00 39.48 38.72 2pvb n PHE 70 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2pvb s SER 71 N -5.49 -0.60 0.54 4.37 0.15 -0.79 -0.86 113.70 111.01 2pvb s SER 71 Ca -0.13 1.10 0.22 0.00 0.70 0.00 0.00 55.95 57.84 2pvb s SER 71 Cb 0.06 1.13 1.48 0.00 -1.71 0.00 0.00 66.02 66.98 2pvb s SER 71 CO 0.75 -0.21 2.18 -0.65 1.20 0.00 0.00 173.24 176.51 2pvb h PRO 72 N 7.37 0.00 -0.03 5.44 0.11 -1.84 -1.21 132.00 141.84 2pvb h PRO 72 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2pvb h PRO 72 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2pvb h PRO 72 CO 0.22 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 176.90 2pvb n SER 73 N -4.20 1.26 -4.73 -2.05 3.41 -1.26 -4.86 113.62 101.18 2pvb n SER 73 Ca -0.03 -1.44 -0.33 0.00 -0.26 0.00 0.00 58.87 56.81 2pvb n SER 73 Cb 0.10 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.13 2pvb n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pvb s ALA 74 N -1.98 2.16 0.70 7.33 0.00 -0.46 -4.98 121.76 124.53 2pvb s ALA 74 Ca 0.39 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 2pvb s ALA 74 Cb 0.21 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2pvb s ALA 74 CO 0.33 -1.80 1.12 -0.98 0.00 0.00 0.00 175.76 174.43 2pvb s ARG 75 N -4.10 2.56 0.57 0.00 1.70 -1.26 -4.69 118.95 113.73 2pvb s ARG 75 Ca 0.71 1.38 -0.20 0.00 -0.47 0.00 0.00 55.73 57.15 2pvb s ARG 75 Cb -0.25 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.16 2pvb s ARG 75 CO 0.46 -1.43 1.21 0.00 -1.08 0.00 0.00 175.30 174.45 2pvb s ALA 76 N -2.44 2.64 0.49 7.88 0.00 -1.26 -4.57 121.76 124.49 2pvb s ALA 76 Ca 0.66 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 53.41 2pvb s ALA 76 Cb -0.21 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 2pvb s ALA 76 CO 0.46 -1.07 1.17 -0.51 0.00 0.00 0.00 175.76 175.81 2pvb s LEU 77 N -3.86 3.93 0.88 0.00 1.43 0.22 -5.02 118.68 116.26 2pvb s LEU 77 Ca 0.75 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 56.04 2pvb s LEU 77 Cb -0.30 -4.33 0.12 0.00 0.03 0.00 0.00 46.19 41.71 2pvb s LEU 77 CO 0.34 -1.05 1.09 0.42 0.23 0.00 0.00 176.35 177.37 2pvb s THR 78 N -1.58 2.73 0.35 5.49 -4.23 -1.26 -4.77 115.64 112.37 2pvb s THR 78 Ca 0.67 0.24 0.05 0.00 -1.18 0.00 0.00 61.69 61.46 2pvb s THR 78 Cb -0.28 -2.66 0.29 0.00 1.34 0.00 0.00 72.50 71.19 2pvb s THR 78 CO 0.34 -0.31 1.95 0.44 -0.54 0.00 0.00 174.62 176.49 2pvb h ASP 79 N -1.54 0.71 -0.19 3.99 3.32 -1.99 0.31 116.42 121.04 2pvb h ASP 79 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 2pvb h ASP 79 Cb 1.27 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2pvb h ASP 79 CO 0.52 0.46 0.08 0.00 -1.72 0.00 0.00 179.24 178.58 2pvb h ALA 80 N 1.59 0.24 -0.78 3.45 0.00 -1.99 -1.40 119.26 120.36 2pvb h ALA 80 Ca 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2pvb h ALA 80 Cb 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2pvb h ALA 80 CO -0.11 -0.17 0.41 0.93 0.00 0.00 0.00 179.25 180.31 2pvb h GLU 81 N 0.15 1.09 -0.03 0.00 5.08 -1.80 -1.40 114.58 117.67 2pvb h GLU 81 Ca 0.06 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2pvb h GLU 81 Cb 0.17 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2pvb h GLU 81 CO -0.01 0.82 0.02 1.15 -1.00 0.00 0.00 179.01 179.99 2pvb h THR 82 N 1.08 1.05 0.00 1.13 2.02 -0.78 -1.25 112.91 116.16 2pvb h THR 82 Ca 0.27 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.22 2pvb h THR 82 Cb 0.05 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2pvb h THR 82 CO -0.04 0.04 -0.50 0.11 0.37 0.00 0.00 175.52 175.50 2pvb h LYS 83 N -0.00 0.00 -0.52 6.66 1.79 -1.14 -1.15 116.57 122.20 2pvb h LYS 83 Ca 0.01 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 2pvb h LYS 83 Cb 0.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2pvb h LYS 83 CO -0.00 0.50 -0.03 0.00 -1.08 0.00 0.00 179.45 178.83 2pvb h ALA 84 N 1.50 0.71 -0.06 3.86 0.00 -1.04 -0.94 119.26 123.30 2pvb h ALA 84 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2pvb h ALA 84 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pvb h ALA 84 CO 0.06 0.56 -0.01 0.35 0.00 0.00 0.00 179.25 180.21 2pvb h PHE 85 N 0.82 -0.03 -0.08 0.00 3.04 -0.97 -1.47 116.94 118.24 2pvb h PHE 85 Ca 0.14 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.11 2pvb h PHE 85 Cb 0.57 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 2pvb h PHE 85 CO 0.04 -0.02 0.00 1.25 -2.02 0.00 0.00 178.31 177.56 2pvb h LEU 86 N 0.00 -0.02 -1.06 0.59 5.85 -1.15 -2.23 115.31 117.29 2pvb h LEU 86 Ca 0.03 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2pvb h LEU 86 Cb 0.04 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2pvb h LEU 86 CO -0.06 0.00 0.17 0.00 -0.34 0.00 0.00 178.44 178.21 2pvb h ALA 87 N 1.06 1.25 -0.32 1.25 0.00 -0.98 0.18 119.26 121.70 2pvb h ALA 87 Ca 0.04 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2pvb h ALA 87 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2pvb h ALA 87 CO -0.06 0.53 -0.28 0.22 0.00 0.00 0.00 179.25 179.66 2pvb h ASP 88 N 0.82 0.68 0.76 0.00 3.58 -1.10 -3.32 116.42 117.84 2pvb h ASP 88 Ca 0.19 -0.26 -0.08 0.00 0.42 0.00 0.00 57.03 57.30 2pvb h ASP 88 Cb 0.25 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2pvb h ASP 88 CO -0.01 0.93 -1.30 0.61 -2.88 0.00 0.00 179.24 176.59 2pvb n GLY 89 N -0.20 -1.30 2.86 -0.78 0.00 -0.85 -4.69 105.19 100.22 2pvb n GLY 89 Ca -0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2pvb n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvb n ASP 90 N -2.74 4.65 0.01 1.61 2.03 0.01 -4.74 116.55 117.37 2pvb n ASP 90 Ca -0.05 -3.00 0.10 0.00 0.52 0.00 0.00 54.79 52.36 2pvb n ASP 90 Cb 0.69 -1.55 0.46 0.00 -0.72 0.00 0.00 41.12 39.99 2pvb n ASP 90 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pvb n LYS 91 N 4.87 0.02 0.00 -0.67 4.76 -1.26 -2.44 118.16 123.44 2pvb n LYS 91 Ca 0.44 0.15 0.09 0.00 -2.87 0.00 0.00 58.31 56.12 2pvb n LYS 91 Cb 0.38 -1.52 0.06 0.00 -1.84 0.00 0.00 35.03 32.11 2pvb n LYS 91 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2pvb n ASP 92 N -1.55 2.44 -0.06 4.39 5.68 -1.26 -5.01 116.55 121.18 2pvb n ASP 92 Ca 0.05 -1.72 -0.01 0.00 -0.50 0.00 0.00 54.79 52.61 2pvb n ASP 92 Cb 0.26 0.09 -0.00 0.00 -1.14 0.00 0.00 41.12 40.32 2pvb n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pvb n GLY 93 N 1.11 0.47 0.28 6.12 0.00 -1.02 -4.91 105.19 107.24 2pvb n GLY 93 Ca 0.10 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.03 2pvb n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pvb n ASP 94 N 0.19 0.84 0.00 1.61 5.75 -1.26 -4.90 116.55 118.78 2pvb n ASP 94 Ca -0.01 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 2pvb n ASP 94 Cb 0.09 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2pvb n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pvb n GLY 95 N 0.97 0.67 3.53 6.12 0.00 -1.26 -5.01 105.19 110.19 2pvb n GLY 95 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2pvb n GLY 95 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2pvb s MET 96 N -0.23 1.82 -0.21 1.61 0.23 -1.26 -4.56 119.30 116.71 2pvb s MET 96 Ca 0.00 -1.61 -0.02 0.00 -1.03 0.00 0.00 55.69 53.03 2pvb s MET 96 Cb 0.00 0.46 0.00 0.00 -1.53 0.00 0.00 34.83 33.76 2pvb s MET 96 CO 0.00 -0.76 -0.11 0.42 -2.03 0.00 0.00 175.02 172.54 2pvb s ILE 97 N -3.26 2.83 0.63 3.16 -1.09 -0.27 -4.68 121.20 118.53 2pvb s ILE 97 Ca 0.28 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 2pvb s ILE 97 Cb -0.01 -2.26 0.09 0.00 -1.58 0.00 0.00 42.46 38.70 2pvb s ILE 97 CO 0.17 0.46 0.87 -0.83 -1.23 0.00 0.00 174.94 174.38 2pvb s GLY 98 N 1.40 1.78 0.20 6.18 0.00 -1.26 -0.37 107.32 115.24 2pvb s GLY 98 Ca 0.05 -1.73 -0.10 0.00 0.00 0.00 0.00 44.72 42.94 2pvb s GLY 98 CO -0.07 -1.28 1.81 -0.24 0.00 0.00 0.00 173.10 173.32 2pvb h VAL 99 N -0.16 1.23 -0.39 1.40 3.04 -1.99 -0.20 116.25 119.17 2pvb h VAL 99 Ca -0.36 -0.59 -0.11 0.00 -1.01 0.00 0.00 66.70 64.63 2pvb h VAL 99 Cb 1.28 0.29 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 2pvb h VAL 99 CO 0.43 0.26 -0.19 0.44 -1.01 0.00 0.00 177.57 177.50 2pvb h ASP 100 N 1.00 0.76 -0.68 3.17 3.32 -1.98 -0.96 116.42 121.04 2pvb h ASP 100 Ca 0.25 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2pvb h ASP 100 Cb 0.07 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2pvb h ASP 100 CO -0.04 0.94 0.15 -0.33 -1.72 0.00 0.00 179.24 178.25 2pvb h GLU 101 N 0.67 1.11 -0.14 3.56 5.08 -1.72 -0.69 114.58 122.45 2pvb h GLU 101 Ca 0.10 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2pvb h GLU 101 Cb 0.68 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2pvb h GLU 101 CO 0.05 0.99 0.06 0.35 -1.00 0.00 0.00 179.01 179.46 2pvb h PHE 102 N 1.05 0.20 -0.76 4.33 3.57 -0.66 -2.28 116.94 122.39 2pvb h PHE 102 Ca 0.22 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2pvb h PHE 102 Cb 0.39 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 2pvb h PHE 102 CO 0.03 0.27 0.37 0.00 -2.23 0.00 0.00 178.31 176.75 2pvb h ALA 103 N 0.91 1.23 -0.57 2.41 0.00 -1.04 -2.60 119.26 119.60 2pvb h ALA 103 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2pvb h ALA 103 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2pvb h ALA 103 CO -0.00 0.60 0.24 0.00 0.00 0.00 0.00 179.25 180.08 2pvb h ALA 104 N 1.33 1.35 -0.19 0.00 0.00 -0.83 0.59 119.26 121.52 2pvb h ALA 104 Ca 0.26 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2pvb h ALA 104 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2pvb h ALA 104 CO -0.04 0.49 -0.34 0.00 0.00 0.00 0.00 179.25 179.36 2pvb h MET 105 N 0.81 0.39 0.15 0.00 -0.00 -1.03 -2.69 114.93 112.56 2pvb h MET 105 Ca 0.20 -0.17 -0.33 0.00 -0.00 0.00 0.00 59.70 59.39 2pvb h MET 105 Cb 0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2pvb h MET 105 CO -0.02 0.69 -1.69 0.82 -0.00 0.00 0.00 176.91 176.71 2pvb h ILE 106 N 0.34 0.98 -0.66 -0.10 2.04 -1.22 -3.35 117.51 115.54 2pvb h ILE 106 Ca 0.04 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.29 2pvb h ILE 106 Cb 0.77 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2pvb h ILE 106 CO 0.06 0.83 0.00 0.29 0.00 0.00 0.00 178.15 179.33 2pvb n LYS 107 N -3.51 2.98 0.00 2.37 4.76 0.15 -4.45 118.16 120.46 2pvb n LYS 107 Ca -0.22 -2.56 0.00 0.00 -2.87 0.00 0.00 58.31 52.66 2pvb n LYS 107 Cb 1.06 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2pvb n LYS 107 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03