#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa s PRO 2 N 0.00 2.05 -0.39 0.03 0.04 -1.26 -4.93 135.00 130.54 1vsa s PRO 2 Ca 0.00 -0.11 -0.08 0.00 0.04 0.00 0.00 61.00 60.85 1vsa s PRO 2 Cb 0.00 -4.97 0.07 0.00 0.04 0.00 0.00 34.50 29.64 1vsa s PRO 2 CO 0.00 -4.06 0.21 1.03 0.04 0.00 0.00 177.00 174.22 1vsa s ARG 3 N 7.79 2.54 -0.10 4.56 3.00 -1.26 -3.00 118.95 132.47 1vsa s ARG 3 Ca 0.79 -1.42 -0.13 0.00 0.00 0.00 0.00 55.73 54.98 1vsa s ARG 3 Cb -0.08 -3.66 -0.05 0.00 0.00 0.00 0.00 34.95 31.16 1vsa s ARG 3 CO 0.06 -0.88 0.29 -1.17 0.00 0.00 0.00 175.30 173.60 1vsa s LEU 4 N 1.38 4.35 -0.11 2.53 2.96 -1.17 -2.95 118.68 125.68 1vsa s LEU 4 Ca 0.02 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.28 1vsa s LEU 4 Cb -0.22 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1vsa s LEU 4 CO 0.01 0.24 1.48 -0.75 -1.32 0.00 0.00 176.35 176.01 1vsa s LYS 5 N -0.36 4.19 -0.44 1.98 2.20 -1.21 -3.00 119.74 123.09 1vsa s LYS 5 Ca 0.18 1.93 0.05 0.00 -0.36 0.00 0.00 55.97 57.77 1vsa s LYS 5 Cb -0.14 -3.89 0.18 0.00 -1.51 0.00 0.00 37.83 32.47 1vsa s LYS 5 CO 0.07 -0.80 0.38 0.28 -0.36 0.00 0.00 175.35 174.92 1vsa n VAL 6 N 5.47 -0.82 -2.05 4.02 0.31 -1.14 -1.81 118.33 122.31 1vsa n VAL 6 Ca 0.16 -3.67 -0.34 0.00 -0.01 0.00 0.00 64.34 60.48 1vsa n VAL 6 Cb 0.44 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.57 1vsa n VAL 6 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1vsa n LYS 7 N 2.54 2.01 0.00 5.55 5.02 -1.23 -2.83 118.16 129.22 1vsa n LYS 7 Ca 0.28 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 1vsa n LYS 7 Cb 0.47 -3.56 0.00 0.00 -0.02 0.00 0.00 35.03 31.93 1vsa n LYS 7 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1vsa n LEU 8 N 11.78 0.00 0.00 -0.35 -0.00 -0.76 -1.61 117.00 126.06 1vsa n LEU 8 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1vsa n LEU 8 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1vsa n LEU 8 CO 0.76 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 179.48 1vsa n VAL 9 N 0.00 0.00 -2.23 1.47 0.24 -0.63 -3.61 118.33 113.57 1vsa n VAL 9 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 1vsa n VAL 9 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 1vsa n VAL 9 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1vsa n LYS 10 N -1.66 0.41 -1.85 7.34 4.76 -1.16 -4.26 118.16 121.74 1vsa n LYS 10 Ca 0.00 -0.55 -0.30 0.00 -2.87 0.00 0.00 58.31 54.59 1vsa n LYS 10 Cb 0.00 -0.15 0.04 0.00 -1.84 0.00 0.00 35.03 33.09 1vsa n LYS 10 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1vsa s SER 11 N -1.85 5.48 0.03 4.39 0.15 -1.26 -4.88 113.70 115.75 1vsa s SER 11 Ca 0.14 1.19 -0.00 0.00 0.70 0.00 0.00 55.95 57.98 1vsa s SER 11 Cb -0.01 -2.02 -0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1vsa s SER 11 CO 0.09 -1.33 -0.01 -0.81 1.20 0.00 0.00 173.24 172.39 1vsa n PRO 12 N -3.01 0.02 -1.69 5.44 -0.04 -1.26 -5.04 135.00 129.42 1vsa n PRO 12 Ca 0.07 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.10 1vsa n PRO 12 Cb 0.57 -0.53 -0.02 0.00 -0.04 0.00 0.00 33.50 33.48 1vsa n PRO 12 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1vsa n ILE 13 N -3.23 0.98 0.00 0.52 -0.00 -1.26 -3.10 119.36 113.27 1vsa n ILE 13 Ca -0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 62.75 62.49 1vsa n ILE 13 Cb 0.32 -1.61 0.00 0.00 -0.00 0.00 0.00 39.64 38.35 1vsa n ILE 13 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1vsa n GLY 14 N 2.15 1.83 0.11 3.28 0.00 -1.26 -5.10 105.19 106.20 1vsa n GLY 14 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1vsa n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vsa n TYR 15 N -0.16 -1.28 -3.69 1.61 4.02 -1.18 -5.15 117.16 111.34 1vsa n TYR 15 Ca 0.00 -0.07 -0.28 0.00 -0.01 0.00 0.00 57.90 57.55 1vsa n TYR 15 Cb 0.00 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.28 1vsa n TYR 15 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1vsa s PRO 16 N -2.06 3.53 0.18 -0.72 0.04 -1.26 -5.06 135.00 129.65 1vsa s PRO 16 Ca 0.01 -0.32 -0.14 0.00 0.04 0.00 0.00 61.00 60.59 1vsa s PRO 16 Cb -0.00 -2.84 0.16 0.00 0.04 0.00 0.00 34.50 31.87 1vsa s PRO 16 CO 0.00 0.40 1.72 -0.22 0.04 0.00 0.00 177.00 178.95 1vsa h LYS 17 N 2.03 0.24 -0.10 4.56 3.11 -1.99 -3.10 116.57 121.32 1vsa h LYS 17 Ca -0.48 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.37 1vsa h LYS 17 Cb 1.19 -0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 32.31 1vsa h LYS 17 CO 0.68 0.16 -0.49 0.22 -2.81 0.00 0.00 179.45 177.21 1vsa h ASP 18 N 0.25 -1.54 -0.77 4.20 1.82 -1.99 1.01 116.42 119.39 1vsa h ASP 18 Ca 0.23 0.18 0.12 0.00 -0.39 0.00 0.00 57.03 57.17 1vsa h ASP 18 Cb 0.29 0.60 -0.13 0.00 0.68 0.00 0.00 39.33 40.78 1vsa h ASP 18 CO -0.29 -0.44 -0.29 0.00 -1.61 0.00 0.00 179.24 176.61 1vsa n GLN 19 N -5.13 -0.17 -0.28 0.28 6.02 -1.19 -0.81 117.38 116.10 1vsa n GLN 19 Ca -0.06 1.18 -0.06 0.00 -0.01 0.00 0.00 57.00 58.06 1vsa n GLN 19 Cb 0.34 -1.76 0.06 0.00 1.02 0.00 0.00 30.24 29.90 1vsa n GLN 19 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1vsa h LYS 20 N 0.00 1.13 0.00 -1.09 1.57 0.74 -2.10 116.57 116.82 1vsa h LYS 20 Ca 0.27 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1vsa h LYS 20 Cb 0.47 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1vsa h LYS 20 CO -0.77 0.89 0.19 0.00 -0.57 0.00 0.00 179.45 179.20 1vsa h ALA 21 N 1.18 1.16 0.00 3.86 0.00 0.25 1.47 119.26 127.18 1vsa h ALA 21 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1vsa h ALA 21 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vsa h ALA 21 CO -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 1vsa h ALA 22 N 1.56 1.00 0.00 0.00 0.00 -1.28 -1.70 119.26 118.85 1vsa h ALA 22 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1vsa h ALA 22 Cb 0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1vsa h ALA 22 CO 0.00 0.02 -1.67 1.47 0.00 0.00 0.00 179.25 179.07 1vsa n LEU 23 N -3.11 0.68 0.10 0.00 -0.00 0.50 -1.23 117.00 113.94 1vsa n LEU 23 Ca 0.01 0.30 0.03 0.00 -0.00 0.00 0.00 56.01 56.36 1vsa n LEU 23 Cb 0.33 0.16 -0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1vsa n LEU 23 CO 0.28 0.25 0.19 0.11 -0.00 0.00 0.00 177.39 178.21 1vsa h LYS 24 N 0.00 0.00 0.01 1.47 1.57 -1.54 0.13 116.57 118.20 1vsa h LYS 24 Ca -0.24 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.29 1vsa h LYS 24 Cb 1.75 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.07 1vsa h LYS 24 CO 0.05 0.34 -1.01 0.00 -0.57 0.00 0.00 179.45 178.25 1vsa h ALA 25 N 1.56 0.22 0.00 3.86 0.00 -1.40 -2.95 119.26 120.56 1vsa h ALA 25 Ca -0.06 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 1vsa h ALA 25 Cb 1.39 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1vsa h ALA 25 CO 0.05 0.74 -0.27 -0.07 0.00 0.00 0.00 179.25 179.70 1vsa h LEU 26 N 0.32 0.00 0.76 0.00 3.38 -1.14 -3.47 115.31 115.16 1vsa h LEU 26 Ca -0.11 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.61 1vsa h LEU 26 Cb 1.66 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.33 1vsa h LEU 26 CO 0.19 0.27 -0.24 0.61 0.09 0.00 0.00 178.44 179.37 1vsa n GLY 27 N 0.14 1.08 3.48 0.83 0.00 0.28 -4.94 105.19 106.06 1vsa n GLY 27 Ca -0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1vsa n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vsa s LEU 28 N -2.85 4.18 -0.27 0.99 2.01 -0.29 -4.98 118.68 117.46 1vsa s LEU 28 Ca 0.00 -0.77 0.02 0.00 0.01 0.00 0.00 54.13 53.39 1vsa s LEU 28 Cb 0.00 -2.54 0.07 0.00 0.01 0.00 0.00 46.19 43.74 1vsa s LEU 28 CO 0.00 -1.43 -0.04 -0.13 1.01 0.00 0.00 176.35 175.76 1vsa s ARG 29 N 4.22 1.78 0.00 1.70 3.00 -1.26 -4.84 118.95 123.55 1vsa s ARG 29 Ca 0.26 -1.35 0.00 0.00 0.00 0.00 0.00 55.73 54.63 1vsa s ARG 29 Cb -0.15 -2.82 0.00 0.00 0.00 0.00 0.00 34.95 31.98 1vsa s ARG 29 CO 0.13 -0.69 0.00 -2.13 0.00 0.00 0.00 175.30 172.61 1vsa n ARG 30 N 4.48 0.00 -1.63 3.54 0.63 -1.26 -4.97 116.66 117.45 1vsa n ARG 30 Ca -0.08 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.41 1vsa n ARG 30 Cb 0.43 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.30 1vsa n ARG 30 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1vsa n LEU 31 N 0.00 3.66 -0.05 6.15 7.99 -1.26 -1.61 117.00 131.88 1vsa n LEU 31 Ca 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 56.01 56.65 1vsa n LEU 31 Cb 0.00 -1.50 0.00 0.00 -0.11 0.00 0.00 43.42 41.81 1vsa n LEU 31 CO 0.00 -0.18 0.00 0.00 -1.51 0.00 0.00 177.39 175.70 1vsa n GLN 32 N 7.87 0.00 -2.59 3.23 6.02 -1.26 -4.89 117.38 125.75 1vsa n GLN 32 Ca 0.25 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.82 1vsa n GLN 32 Cb 0.40 -1.35 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 1vsa n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1vsa s GLN 33 N -2.21 4.47 -0.73 -1.09 -0.44 -0.63 -4.63 119.66 114.40 1vsa s GLN 33 Ca 0.00 1.55 -0.15 0.00 -2.50 0.00 0.00 55.36 54.25 1vsa s GLN 33 Cb 0.00 -3.46 0.18 0.00 -1.64 0.00 0.00 33.01 28.09 1vsa s GLN 33 CO 0.00 -0.21 0.71 -2.00 0.50 0.00 0.00 175.29 174.29 1vsa s GLU 34 N 1.38 3.38 -0.27 1.67 2.12 -1.25 -1.83 118.70 123.90 1vsa s GLU 34 Ca 0.54 -2.09 -0.14 0.00 0.36 0.00 0.00 54.97 53.64 1vsa s GLU 34 Cb -0.23 -4.41 -0.04 0.00 0.26 0.00 0.00 34.13 29.70 1vsa s GLU 34 CO 0.26 -1.36 0.31 1.03 -0.54 0.00 0.00 175.26 174.96 1vsa s ARG 35 N 1.00 4.00 -0.95 4.30 1.81 -1.13 -4.73 118.95 123.25 1vsa s ARG 35 Ca 0.14 -0.08 -0.10 0.00 -1.72 0.00 0.00 55.73 53.98 1vsa s ARG 35 Cb -0.17 -3.66 0.24 0.00 -0.45 0.00 0.00 34.95 30.92 1vsa s ARG 35 CO -0.04 -0.24 0.90 0.14 -0.68 0.00 0.00 175.30 175.38 1vsa s VAL 36 N 1.96 5.53 0.50 3.52 -7.23 -1.18 -2.89 120.40 120.61 1vsa s VAL 36 Ca 0.12 -3.09 0.02 0.00 -1.81 0.00 0.00 61.98 57.22 1vsa s VAL 36 Cb -0.16 -4.38 -0.02 0.00 0.56 0.00 0.00 36.38 32.39 1vsa s VAL 36 CO 0.10 -1.10 0.02 -0.76 -0.31 0.00 0.00 175.10 173.05 1vsa s LEU 37 N -0.66 2.27 0.34 1.32 2.01 -1.16 -4.17 118.68 118.63 1vsa s LEU 37 Ca 0.25 -1.65 -0.23 0.00 0.01 0.00 0.00 54.13 52.50 1vsa s LEU 37 Cb -0.10 -0.67 -0.16 0.00 0.01 0.00 0.00 46.19 45.27 1vsa s LEU 37 CO -0.09 -0.85 0.24 1.21 1.01 0.00 0.00 176.35 177.87 1vsa n GLU 38 N -1.22 0.02 -3.62 1.70 2.13 -1.23 -3.02 120.64 115.40 1vsa n GLU 38 Ca -0.18 0.01 -0.39 0.00 0.66 0.00 0.00 57.16 57.26 1vsa n GLU 38 Cb 0.67 -1.02 -0.09 0.00 0.27 0.00 0.00 31.44 31.27 1vsa n GLU 38 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1vsa s ASP 39 N -1.00 5.59 0.16 4.31 1.01 -1.16 -4.91 116.67 120.67 1vsa s ASP 39 Ca 0.61 -2.10 -0.17 0.00 0.71 0.00 0.00 52.55 51.59 1vsa s ASP 39 Cb -0.73 -1.96 0.04 0.00 1.01 0.00 0.00 42.92 41.28 1vsa s ASP 39 CO 0.61 -0.61 0.48 0.42 0.21 0.00 0.00 175.17 176.27 1vsa s THR 40 N 1.07 0.04 0.05 -1.27 -4.23 -1.26 -5.06 115.64 104.97 1vsa s THR 40 Ca 0.08 -0.61 -0.10 0.00 -1.18 0.00 0.00 61.69 59.88 1vsa s THR 40 Cb -0.24 -1.35 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1vsa s THR 40 CO -0.02 -0.18 1.17 -0.65 -0.54 0.00 0.00 174.62 174.39 1vsa h PRO 41 N 2.24 -0.04 -0.90 3.99 0.11 -1.99 -0.53 132.00 134.88 1vsa h PRO 41 Ca -0.31 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.05 1vsa h PRO 41 Cb 1.27 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1vsa h PRO 41 CO 0.41 -0.03 0.32 0.00 -0.21 0.00 0.00 178.00 178.50 1vsa h ALA 42 N -0.66 1.43 -0.43 -0.75 0.00 -2.02 0.87 119.26 117.69 1vsa h ALA 42 Ca 0.04 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1vsa h ALA 42 Cb 0.14 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1vsa h ALA 42 CO -0.25 -0.46 -0.11 0.82 0.00 0.00 0.00 179.25 179.24 1vsa h ILE 43 N 0.26 0.56 0.00 0.00 5.03 -1.53 -2.99 117.51 118.85 1vsa h ILE 43 Ca 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.33 1vsa h ILE 43 Cb 1.20 0.56 0.00 0.00 -3.03 0.00 0.00 36.82 35.56 1vsa h ILE 43 CO -0.63 0.00 0.00 0.54 -0.68 0.00 0.00 178.15 177.38 1vsa n ARG 44 N -5.33 0.00 -0.18 2.37 3.00 0.30 -1.97 116.66 114.86 1vsa n ARG 44 Ca 0.03 0.63 -0.05 0.00 -0.01 0.00 0.00 57.85 58.45 1vsa n ARG 44 Cb 0.23 -1.09 -0.04 0.00 0.00 0.00 0.00 32.46 31.56 1vsa n ARG 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsa n GLY 45 N -0.98 -1.09 0.25 -0.13 0.00 -1.13 0.94 105.19 103.06 1vsa n GLY 45 Ca 0.00 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 1vsa n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vsa h ASN 46 N 0.00 -0.76 -0.91 1.61 2.35 -1.57 -1.84 115.58 114.47 1vsa h ASN 46 Ca 0.07 0.07 0.21 0.00 -0.55 0.00 0.00 56.30 56.10 1vsa h ASN 46 Cb 0.18 0.26 -0.17 0.00 0.05 0.00 0.00 38.32 38.64 1vsa h ASN 46 CO -0.40 -0.32 -0.07 0.58 -1.65 0.00 0.00 177.43 175.57 1vsa h VAL 47 N -0.46 0.12 -0.26 2.81 2.07 0.29 -2.59 116.25 118.23 1vsa h VAL 47 Ca -0.02 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1vsa h VAL 47 Cb 0.42 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1vsa h VAL 47 CO -0.09 0.01 -0.15 -0.62 0.02 0.00 0.00 177.57 176.74 1vsa n GLU 48 N -5.49 -0.11 0.05 1.57 -0.58 0.27 -0.38 120.64 115.97 1vsa n GLU 48 Ca 0.17 1.01 0.10 0.00 -0.42 0.00 0.00 57.16 58.02 1vsa n GLU 48 Cb 0.58 -1.50 0.42 0.00 -0.57 0.00 0.00 31.44 30.37 1vsa n GLU 48 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1vsa n LYS 49 N -3.53 0.09 0.27 3.49 3.00 -0.99 -2.06 118.16 118.43 1vsa n LYS 49 Ca 0.01 0.26 0.17 0.00 -0.00 0.00 0.00 58.31 58.74 1vsa n LYS 49 Cb 0.07 -1.64 0.69 0.00 0.00 0.00 0.00 35.03 34.14 1vsa n LYS 49 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1vsa h VAL 50 N 0.00 0.08 -0.26 3.15 -1.51 -0.59 -3.34 116.25 113.79 1vsa h VAL 50 Ca 0.00 -0.56 0.05 0.00 -1.23 0.00 0.00 66.70 64.96 1vsa h VAL 50 Cb 0.37 1.51 -0.05 0.00 -2.13 0.00 0.00 31.29 31.00 1vsa h VAL 50 CO 0.00 0.03 -0.07 0.00 -1.23 0.00 0.00 177.57 176.30 1vsa n ALA 51 N -2.11 0.04 -0.64 5.19 0.00 -0.87 0.44 120.51 122.55 1vsa n ALA 51 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.66 1vsa n ALA 51 Cb 0.31 -0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 1vsa n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1vsa n HIS 52 N -4.41 0.00 0.00 0.00 1.44 -1.25 -3.70 115.22 107.29 1vsa n HIS 52 Ca 0.04 -1.06 0.00 0.00 -2.01 0.00 0.00 57.72 54.69 1vsa n HIS 52 Cb 0.12 -0.97 0.00 0.00 0.12 0.00 0.00 29.99 29.26 1vsa n HIS 52 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1vsa n LEU 53 N 2.13 0.00 -5.02 2.39 -0.00 0.17 -4.66 117.00 112.01 1vsa n LEU 53 Ca 0.20 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 56.00 1vsa n LEU 53 Cb 0.61 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.10 1vsa n LEU 53 CO 0.08 0.00 0.40 0.68 -0.00 0.00 0.00 177.39 178.55 1vsa s VAL 54 N -0.05 2.17 0.28 1.47 -7.23 -1.17 -1.61 120.40 114.27 1vsa s VAL 54 Ca 0.00 -0.88 0.06 0.00 -1.81 0.00 0.00 61.98 59.35 1vsa s VAL 54 Cb 0.00 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.59 1vsa s VAL 54 CO 0.00 0.00 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.14 1vsa s ARG 55 N -4.79 1.53 -0.05 4.82 6.06 -0.63 -4.68 118.95 121.21 1vsa s ARG 55 Ca 0.63 -1.78 -0.09 0.00 -2.50 0.00 0.00 55.73 51.98 1vsa s ARG 55 Cb -0.06 -1.08 0.02 0.00 0.06 0.00 0.00 34.95 33.89 1vsa s ARG 55 CO 0.40 0.01 0.23 0.08 -2.50 0.00 0.00 175.30 173.52 1vsa s VAL 56 N -3.07 0.04 0.00 7.11 1.01 -1.15 -3.50 120.40 120.84 1vsa s VAL 56 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1vsa s VAL 56 Cb 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1vsa s VAL 56 CO 0.12 -0.16 0.00 1.21 0.00 0.00 0.00 175.10 176.26 1vsa n GLU 57 N 2.17 0.00 -0.92 2.72 2.13 -0.75 -4.92 120.64 121.07 1vsa n GLU 57 Ca -0.17 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.28 1vsa n GLU 57 Cb 0.57 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.35 1vsa n GLU 57 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1vsa n VAL 58 N 0.00 0.00 -3.15 6.31 0.31 -1.26 -3.32 118.33 117.22 1vsa n VAL 58 Ca 0.00 -0.20 0.04 0.00 -0.01 0.00 0.00 64.34 64.17 1vsa n VAL 58 Cb 0.00 -0.18 -0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1vsa n VAL 58 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1vsa s VAL 59 N -2.08 -0.98 0.00 2.52 -7.23 -1.15 -4.63 120.40 106.84 1vsa s VAL 59 Ca 0.43 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1vsa s VAL 59 Cb -0.03 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1vsa s VAL 59 CO 0.70 0.00 0.36 -0.62 -0.31 0.00 0.00 175.10 175.23