#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa s GLY 9 N 0.00 0.14 0.00 5.00 0.00 -1.26 -5.14 107.32 106.06 1vsa s GLY 9 Ca 0.00 3.14 0.00 0.00 0.00 0.00 0.00 44.72 47.86 1vsa s GLY 9 CO 0.00 1.83 0.00 0.28 0.00 0.00 0.00 173.10 175.21 1vsa n LYS 10 N 1.71 0.00 0.00 2.90 4.76 -1.26 -4.69 118.16 121.58 1vsa n LYS 10 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1vsa n LYS 10 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1vsa n LYS 10 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1vsa n ARG 11 N -0.07 0.00 -0.06 1.97 5.12 -1.26 -3.81 116.66 118.55 1vsa n ARG 11 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 1vsa n ARG 11 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 1vsa n ARG 11 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1vsa n PRO 12 N 0.00 0.38 -3.74 5.56 -0.04 -1.26 -4.92 135.00 130.99 1vsa n PRO 12 Ca 0.00 0.34 -0.09 0.00 -0.04 0.00 0.00 63.50 63.71 1vsa n PRO 12 Cb 0.00 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 1vsa n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1vsa s ILE 13 N -2.22 0.01 -0.27 0.52 1.09 -1.26 -4.93 121.20 114.15 1vsa s ILE 13 Ca -0.17 -0.75 -0.39 0.00 -1.10 0.00 0.00 60.65 58.24 1vsa s ILE 13 Cb 0.02 -1.66 -0.18 0.00 -1.06 0.00 0.00 42.46 39.59 1vsa s ILE 13 CO 0.25 -0.05 1.24 0.55 -0.10 0.00 0.00 174.94 176.83 1vsa n VAL 14 N -0.39 0.00 0.11 2.92 3.14 -1.26 -4.59 118.33 118.25 1vsa n VAL 14 Ca -0.09 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.25 1vsa n VAL 14 Cb 0.62 -0.27 -0.02 0.00 -1.06 0.00 0.00 33.84 33.11 1vsa n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vsa h ALA 15 N 3.74 -0.54 -6.14 1.55 0.00 -1.95 -3.48 119.26 112.44 1vsa h ALA 15 Ca -0.42 -0.07 -0.42 0.00 0.00 0.00 0.00 54.91 54.01 1vsa h ALA 15 Cb 1.24 0.12 0.03 0.00 0.00 0.00 0.00 17.79 19.18 1vsa h ALA 15 CO 0.76 -0.52 -0.04 0.27 0.00 0.00 0.00 179.25 179.71 1vsa n ASN 16 N -3.57 1.76 -3.61 0.00 6.94 -1.26 -3.62 115.26 111.89 1vsa n ASN 16 Ca -0.04 -2.30 -0.07 0.00 -0.02 0.00 0.00 54.58 52.15 1vsa n ASN 16 Cb 0.12 -0.39 -0.05 0.00 -2.36 0.00 0.00 39.78 37.10 1vsa n ASN 16 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1vsa s SER 17 N -4.17 -0.26 -0.45 0.53 0.01 -1.14 -4.88 113.70 103.35 1vsa s SER 17 Ca 0.53 0.33 -0.17 0.00 1.31 0.00 0.00 55.95 57.95 1vsa s SER 17 Cb -0.04 0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.50 1vsa s SER 17 CO 0.34 -0.21 0.45 -0.63 0.41 0.00 0.00 173.24 173.61 1vsa s ILE 18 N -0.84 5.09 0.25 1.44 1.09 -1.26 -1.61 121.20 125.36 1vsa s ILE 18 Ca 0.03 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 59.06 1vsa s ILE 18 Cb -0.01 -4.10 -0.05 0.00 -1.06 0.00 0.00 42.46 37.23 1vsa s ILE 18 CO -0.03 -0.52 -0.01 -1.58 -0.10 0.00 0.00 174.94 172.70 1vsa s GLN 19 N 2.08 1.42 0.09 2.79 0.74 -1.10 -4.92 119.66 120.75 1vsa s GLN 19 Ca 0.10 -1.73 0.09 0.00 0.05 0.00 0.00 55.36 53.88 1vsa s GLN 19 Cb -0.19 -0.76 -0.04 0.00 1.10 0.00 0.00 33.01 33.12 1vsa s GLN 19 CO 0.11 -0.08 -0.23 1.03 -0.55 0.00 0.00 175.29 175.58 1vsa s ARG 20 N -3.84 1.72 0.00 1.67 1.81 -1.26 -2.43 118.95 116.62 1vsa s ARG 20 Ca 0.30 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.13 1vsa s ARG 20 Cb 0.06 -2.02 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 1vsa s ARG 20 CO 0.10 0.49 0.00 -2.13 -0.68 0.00 0.00 175.30 173.08 1vsa n ARG 21 N 1.23 0.70 0.00 3.54 3.00 -1.17 -4.82 116.66 119.14 1vsa n ARG 21 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1vsa n ARG 21 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1vsa n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsa n GLY 22 N 1.00 3.01 0.00 5.14 0.00 -1.26 -2.88 105.19 110.21 1vsa n GLY 22 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1vsa n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vsa n LYS 23 N -1.16 -0.36 0.00 1.61 4.76 0.27 -4.84 118.16 118.45 1vsa n LYS 23 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1vsa n LYS 23 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1vsa n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vsa n ALA 24 N -3.00 0.00 -2.68 7.82 0.00 -1.25 -4.60 120.51 116.80 1vsa n ALA 24 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1vsa n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1vsa n ALA 24 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vsa s LYS 25 N 0.00 4.37 0.00 0.00 1.02 -1.17 -4.72 119.74 119.23 1vsa s LYS 25 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.64 1vsa s LYS 25 Cb 0.00 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1vsa s LYS 25 CO 0.00 0.16 0.00 2.89 -0.92 0.00 0.00 175.35 177.48 1vsa n ARG 26 N 3.54 0.00 0.00 1.68 0.00 -1.24 -3.98 116.66 116.66 1vsa n ARG 26 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1vsa n ARG 26 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.97 1vsa n ARG 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1vsa n GLU 27 N 0.00 0.00 0.00 2.89 4.71 -1.25 -4.92 120.64 122.07 1vsa n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1vsa n GLU 27 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1vsa n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vsa n GLY 28 N 0.60 0.10 0.00 0.62 0.00 0.19 -4.94 105.19 101.77 1vsa n GLY 28 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1vsa n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 29 N 0.00 1.34 3.31 -0.02 0.00 -0.92 -3.96 105.19 104.95 1vsa n GLY 29 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1vsa n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vsa n VAL 30 N 0.00 3.36 -0.51 1.61 0.31 -1.26 -3.79 118.33 118.05 1vsa n VAL 30 Ca 0.00 -3.32 0.00 0.00 -0.01 0.00 0.00 64.34 61.01 1vsa n VAL 30 Cb 0.00 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 30.54 1vsa n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vsa n GLY 31 N 5.03 -0.86 2.10 2.92 0.00 -1.26 -4.95 105.19 108.18 1vsa n GLY 31 Ca 0.49 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1vsa n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vsa n LYS 32 N 1.02 -0.92 0.00 1.61 5.02 -1.26 -4.87 118.16 118.77 1vsa n LYS 32 Ca 0.00 1.14 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 1vsa n LYS 32 Cb 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.69 1vsa n LYS 32 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1vsa n LYS 33 N -0.64 0.00 -1.05 1.97 4.01 -1.25 -2.71 118.16 118.49 1vsa n LYS 33 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1vsa n LYS 33 Cb 0.27 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.79 1vsa n LYS 33 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1vsa n THR 34 N 0.00 0.00 -3.65 -0.18 -1.04 -1.25 0.56 114.28 108.72 1vsa n THR 34 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1vsa n THR 34 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1vsa n THR 34 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1vsa s THR 35 N -0.62 0.00 -0.11 12.58 2.01 -1.26 -4.72 115.64 123.52 1vsa s THR 35 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1vsa s THR 35 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1vsa s THR 35 CO 0.00 0.00 1.03 -0.83 -0.69 0.00 0.00 174.62 174.13 1vsa s GLY 36 N 0.65 2.29 -0.20 4.40 0.00 -1.26 -3.05 107.32 110.14 1vsa s GLY 36 Ca -0.02 0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.89 1vsa s GLY 36 CO -0.12 1.96 0.13 4.51 0.00 0.00 0.00 173.10 179.59 1vsa n ILE 37 N 4.61 1.52 -3.56 0.90 0.13 -1.26 -4.82 119.36 116.88 1vsa n ILE 37 Ca 0.09 0.01 -0.08 0.00 -1.10 0.00 0.00 62.75 61.66 1vsa n ILE 37 Cb 0.48 -2.10 -0.04 0.00 -0.84 0.00 0.00 39.64 37.15 1vsa n ILE 37 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1vsa s SER 38 N -6.69 -0.31 0.00 9.51 0.15 -1.26 -4.97 113.70 110.13 1vsa s SER 38 Ca -0.27 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1vsa s SER 38 Cb 0.05 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1vsa s SER 38 CO 0.53 -0.38 0.00 0.29 1.20 0.00 0.00 173.24 174.87 1vsa n LYS 39 N 0.31 0.00 0.00 5.44 4.01 -1.26 0.96 118.16 127.62 1vsa n LYS 39 Ca -0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1vsa n LYS 39 Cb 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 1vsa n LYS 39 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1vsa n ARG 40 N 0.00 0.00 -3.32 1.97 0.00 -1.14 -4.73 116.66 109.45 1vsa n ARG 40 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1vsa n ARG 40 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 1vsa n ARG 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1vsa s ARG 41 N 1.19 0.86 0.40 -0.14 1.70 -1.26 -3.01 118.95 118.68 1vsa s ARG 41 Ca 0.00 -1.79 -0.26 0.00 -0.47 0.00 0.00 55.73 53.21 1vsa s ARG 41 Cb 0.00 -1.17 -0.09 0.00 -0.57 0.00 0.00 34.95 33.12 1vsa s ARG 41 CO 0.00 -1.35 1.28 1.14 -1.08 0.00 0.00 175.30 175.30 1vsa s GLN 42 N 0.39 4.00 -0.94 3.89 -2.07 -1.02 -4.88 119.66 119.03 1vsa s GLN 42 Ca 0.30 2.12 -0.16 0.00 -1.82 0.00 0.00 55.36 55.79 1vsa s GLN 42 Cb -0.01 -2.76 0.17 0.00 -1.09 0.00 0.00 33.01 29.32 1vsa s GLN 42 CO -0.14 -0.45 1.05 -0.47 -1.32 0.00 0.00 175.29 173.95 1vsa s TYR 43 N -1.27 3.45 -0.41 9.60 5.04 -1.26 -2.72 117.35 129.78 1vsa s TYR 43 Ca 0.56 -1.76 -0.08 0.00 -2.44 0.00 0.00 57.07 53.35 1vsa s TYR 43 Cb -0.37 -4.10 -0.11 0.00 0.35 0.00 0.00 41.96 37.73 1vsa s TYR 43 CO 0.48 -1.28 1.47 -0.35 -1.34 0.00 0.00 175.55 174.53 1vsa n PRO 44 N 5.34 0.05 -1.50 4.97 -0.04 -0.63 -4.71 135.00 138.47 1vsa n PRO 44 Ca 0.22 -0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 1vsa n PRO 44 Cb 0.47 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 1vsa n PRO 44 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vsa n ASN 45 N 8.62 3.22 -3.66 3.54 3.02 -1.26 -2.86 115.26 125.88 1vsa n ASN 45 Ca 0.21 -2.76 -0.33 0.00 -0.03 0.00 0.00 54.58 51.66 1vsa n ASN 45 Cb 0.44 -1.40 0.02 0.00 -0.61 0.00 0.00 39.78 38.23 1vsa n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vsa n LEU 46 N 7.28 -4.12 -4.74 3.41 -0.00 -1.24 -4.81 117.00 112.77 1vsa n LEU 46 Ca 0.50 0.40 -0.41 0.00 -0.00 0.00 0.00 56.01 56.50 1vsa n LEU 46 Cb 0.40 -0.72 -0.02 0.00 -0.00 0.00 0.00 43.42 43.09 1vsa n LEU 46 CO 0.95 -4.69 1.19 -1.10 -0.00 0.00 0.00 177.39 173.74 1vsa s GLN 47 N -1.25 4.19 0.03 1.47 -1.52 -1.26 -4.86 119.66 116.45 1vsa s GLN 47 Ca 0.44 2.45 -0.13 0.00 -1.95 0.00 0.00 55.36 56.17 1vsa s GLN 47 Cb -0.32 -3.07 0.02 0.00 -0.22 0.00 0.00 33.01 29.42 1vsa s GLN 47 CO 0.65 -0.55 0.28 0.21 -0.25 0.00 0.00 175.29 175.63 1vsa s LYS 48 N -0.28 0.75 0.00 2.91 2.20 -1.26 -2.95 119.74 121.10 1vsa s LYS 48 Ca 0.62 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1vsa s LYS 48 Cb -0.45 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1vsa s LYS 48 CO 0.44 -0.23 0.00 0.28 -0.36 0.00 0.00 175.35 175.49 1vsa n VAL 49 N 0.80 0.00 -3.39 4.02 0.31 -1.14 -4.83 118.33 114.10 1vsa n VAL 49 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1vsa n VAL 49 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1vsa n VAL 49 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vsa n ARG 50 N 0.00 0.00 -0.79 5.55 0.63 -1.26 -3.13 116.66 117.67 1vsa n ARG 50 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1vsa n ARG 50 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 1vsa n ARG 50 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1vsa n VAL 51 N 0.00 0.00 -0.51 5.15 0.31 0.23 -4.76 118.33 118.75 1vsa n VAL 51 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1vsa n VAL 51 Cb 0.00 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1vsa n VAL 51 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vsa n ARG 52 N -1.09 0.00 -2.29 5.55 3.00 -1.26 -4.65 116.66 115.92 1vsa n ARG 52 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.47 1vsa n ARG 52 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.47 1vsa n ARG 52 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1vsa s VAL 53 N 0.00 3.13 -0.26 5.15 1.01 -1.17 -4.76 120.40 123.51 1vsa s VAL 53 Ca 0.00 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1vsa s VAL 53 Cb 0.00 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.87 1vsa s VAL 53 CO 0.00 0.14 0.04 0.00 0.00 0.00 0.00 175.10 175.28 1vsa s ALA 54 N -1.34 1.57 0.00 5.51 0.00 -1.24 -2.90 121.76 123.36 1vsa s ALA 54 Ca 0.54 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 1vsa s ALA 54 Cb -0.32 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1vsa s ALA 54 CO 0.41 -1.41 1.30 0.41 0.00 0.00 0.00 175.76 176.47 1vsa n GLY 55 N 4.83 1.65 0.00 0.00 0.00 -1.26 -3.93 105.19 106.48 1vsa n GLY 55 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1vsa n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vsa n GLN 56 N 2.01 0.00 -3.15 1.61 6.02 -1.26 -4.72 117.38 117.88 1vsa n GLN 56 Ca 0.06 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.10 1vsa n GLN 56 Cb 0.31 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.56 1vsa n GLN 56 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1vsa s GLU 57 N 0.00 0.09 0.04 -1.09 2.12 -1.25 -5.19 118.70 113.42 1vsa s GLU 57 Ca 0.00 0.12 -0.28 0.00 0.36 0.00 0.00 54.97 55.18 1vsa s GLU 57 Cb 0.00 0.06 0.10 0.00 0.26 0.00 0.00 34.13 34.55 1vsa s GLU 57 CO 0.00 -0.14 1.20 0.96 -0.54 0.00 0.00 175.26 176.74 1vsa s ILE 58 N 2.97 0.00 0.22 -3.70 -4.36 -1.16 -4.90 121.20 110.27 1vsa s ILE 58 Ca 0.12 -0.34 -0.15 0.00 -0.26 0.00 0.00 60.65 60.03 1vsa s ILE 58 Cb -0.05 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.28 1vsa s ILE 58 CO -0.16 0.00 0.50 -0.89 0.24 0.00 0.00 174.94 174.63 1vsa s THR 59 N -2.40 0.02 0.31 8.37 2.01 -1.14 -3.02 115.64 119.79 1vsa s THR 59 Ca 0.19 -1.08 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 1vsa s THR 59 Cb 0.01 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.67 1vsa s THR 59 CO -0.01 -0.09 0.50 -0.36 -0.69 0.00 0.00 174.62 173.97 1vsa s PHE 60 N -3.94 0.75 0.18 4.92 0.08 -1.26 -4.68 117.98 114.03 1vsa s PHE 60 Ca 0.15 -1.07 0.04 0.00 0.12 0.00 0.00 56.93 56.17 1vsa s PHE 60 Cb -0.01 0.08 -0.03 0.00 -0.57 0.00 0.00 43.02 42.49 1vsa s PHE 60 CO 0.02 -1.12 0.25 0.50 -0.10 0.00 0.00 175.22 174.76 1vsa s ARG 61 N -3.30 3.22 -0.08 0.44 3.52 -1.26 0.75 118.95 122.25 1vsa s ARG 61 Ca 0.27 -0.77 -0.32 0.00 -0.13 0.00 0.00 55.73 54.78 1vsa s ARG 61 Cb -0.01 -2.81 0.12 0.00 -1.56 0.00 0.00 34.95 30.70 1vsa s ARG 61 CO 0.16 0.48 1.18 0.54 -0.81 0.00 0.00 175.30 176.84 1vsa s VAL 62 N -1.84 0.00 0.00 7.11 0.11 -1.18 -4.47 120.40 120.13 1vsa s VAL 62 Ca 0.33 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1vsa s VAL 62 Cb -0.10 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 1vsa s VAL 62 CO 0.27 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.04 1vsa n ALA 63 N -0.29 0.00 -0.00 1.54 0.00 -1.26 -2.89 120.51 117.61 1vsa n ALA 63 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 1vsa n ALA 63 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1vsa n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa n ALA 64 N -3.00 2.18 0.07 0.00 0.00 -1.15 -3.08 120.51 115.52 1vsa n ALA 64 Ca 0.00 -0.25 0.18 0.00 0.00 0.00 0.00 53.44 53.37 1vsa n ALA 64 Cb 0.00 0.14 0.70 0.00 0.00 0.00 0.00 19.45 20.29 1vsa n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vsa h SER 65 N -0.29 0.00 0.00 0.00 0.87 -1.99 -2.28 113.55 109.86 1vsa h SER 65 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vsa h SER 65 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1vsa h SER 65 CO 0.00 0.00 0.00 1.41 -0.53 0.00 0.00 176.83 177.71 1vsa n HIS 66 N -4.29 0.00 -0.20 2.24 -0.00 -1.26 -4.22 115.22 107.49 1vsa n HIS 66 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1vsa n HIS 66 Cb 0.49 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.51 1vsa n HIS 66 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1vsa n ILE 67 N 0.15 -0.27 0.00 1.59 5.41 -0.86 -2.32 119.36 123.05 1vsa n ILE 67 Ca 0.00 1.21 0.00 0.00 1.00 0.00 0.00 62.75 64.96 1vsa n ILE 67 Cb 0.00 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 1vsa n ILE 67 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1vsa n PRO 68 N -4.77 0.00 -0.22 0.38 -0.04 -1.26 -3.63 135.00 125.46 1vsa n PRO 68 Ca 0.06 0.32 0.17 0.00 -0.04 0.00 0.00 63.50 64.01 1vsa n PRO 68 Cb 0.21 -0.97 0.26 0.00 -0.04 0.00 0.00 33.50 32.96 1vsa n PRO 68 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1vsa n LYS 69 N -1.47 -0.00 0.00 0.54 2.85 -1.15 -2.10 118.16 116.82 1vsa n LYS 69 Ca 0.00 0.37 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 1vsa n LYS 69 Cb 0.00 -0.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 1vsa n LYS 69 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1vsa n VAL 70 N -2.76 0.00 0.18 0.58 0.31 -0.98 0.84 118.33 116.50 1vsa n VAL 70 Ca 0.14 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.59 1vsa n VAL 70 Cb 0.63 -0.06 0.67 0.00 -0.91 0.00 0.00 33.84 34.17 1vsa n VAL 70 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1vsa h TYR 71 N 0.00 0.00 -1.43 3.52 -1.99 -1.77 0.51 116.97 115.80 1vsa h TYR 71 Ca 0.00 0.00 0.49 0.00 2.00 0.00 0.00 58.73 61.22 1vsa h TYR 71 Cb 0.00 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 38.60 1vsa h TYR 71 CO 0.00 0.00 0.93 -1.91 -0.00 0.00 0.00 178.16 177.18 1vsa n GLU 72 N -4.46 -0.03 -0.04 4.88 2.13 -0.89 0.19 120.64 122.42 1vsa n GLU 72 Ca 0.01 1.23 -0.12 0.00 0.66 0.00 0.00 57.16 58.94 1vsa n GLU 72 Cb 0.25 -2.46 -0.10 0.00 0.27 0.00 0.00 31.44 29.39 1vsa n GLU 72 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1vsa h LEU 73 N 0.00 -0.03 -0.26 4.31 3.38 0.56 -3.32 115.31 119.96 1vsa h LEU 73 Ca 0.88 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1vsa h LEU 73 Cb 2.92 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 43.63 1vsa h LEU 73 CO -0.42 0.76 0.09 0.52 0.09 0.00 0.00 178.44 179.47 1vsa n VAL 74 N -4.72 -0.11 -0.00 1.22 0.31 0.51 -2.71 118.33 112.82 1vsa n VAL 74 Ca -0.08 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1vsa n VAL 74 Cb 0.35 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 1vsa n VAL 74 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vsa n GLU 75 N -3.80 0.00 -3.62 5.55 -0.58 -1.15 -4.76 120.64 112.28 1vsa n GLU 75 Ca 0.08 -0.03 -0.37 0.00 -0.42 0.00 0.00 57.16 56.43 1vsa n GLU 75 Cb 0.28 -1.45 -0.07 0.00 -0.57 0.00 0.00 31.44 29.64 1vsa n GLU 75 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1vsa s ARG 76 N 2.87 4.03 -0.28 3.49 1.81 -1.10 -5.07 118.95 124.69 1vsa s ARG 76 Ca 0.00 0.06 -0.10 0.00 -1.72 0.00 0.00 55.73 53.97 1vsa s ARG 76 Cb 0.00 -3.35 -0.04 0.00 -0.45 0.00 0.00 34.95 31.12 1vsa s ARG 76 CO 0.00 0.43 0.16 0.00 -0.68 0.00 0.00 175.30 175.20 1vsa s ALA 77 N -0.09 3.41 0.00 2.13 0.00 -1.26 -4.98 121.76 120.96 1vsa s ALA 77 Ca 0.16 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1vsa s ALA 77 Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1vsa s ALA 77 CO 0.05 -0.59 0.00 0.36 0.00 0.00 0.00 175.76 175.57 1vsa n LYS 78 N 5.02 -1.63 -3.42 0.00 -0.00 -1.26 -5.15 118.16 111.72 1vsa n LYS 78 Ca -0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.14 1vsa n LYS 78 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.49 1vsa n LYS 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1vsa s GLY 79 N 0.00 -0.66 0.34 2.58 0.00 -1.26 -5.17 107.32 103.15 1vsa s GLY 79 Ca 0.00 1.66 0.05 0.00 0.00 0.00 0.00 44.72 46.43 1vsa s GLY 79 CO 0.00 2.93 0.22 1.08 0.00 0.00 0.00 173.10 177.33 1vsa s LEU 80 N 2.74 1.75 0.00 0.66 1.43 -1.26 -5.13 118.68 118.87 1vsa s LEU 80 Ca 0.08 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 51.49 1vsa s LEU 80 Cb -0.14 0.34 0.00 0.00 0.03 0.00 0.00 46.19 46.43 1vsa s LEU 80 CO -0.18 -1.00 0.00 0.54 0.23 0.00 0.00 176.35 175.95 1vsa n ARG 81 N -0.66 0.00 0.00 1.70 5.12 -1.26 -5.00 116.66 116.56 1vsa n ARG 81 Ca 0.03 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1vsa n ARG 81 Cb 0.63 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 31.47 1vsa n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1vsa n LEU 82 N -2.14 0.00 -2.39 0.55 0.00 -1.26 -4.66 117.00 107.10 1vsa n LEU 82 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.79 1vsa n LEU 82 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.43 1vsa n LEU 82 CO 0.00 0.00 -0.55 1.21 0.00 0.00 0.00 177.39 178.05 1vsa n GLU 83 N 0.00 0.00 -1.11 1.96 2.13 -1.26 -2.53 120.64 119.83 1vsa n GLU 83 Ca 0.00 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.97 1vsa n GLU 83 Cb 0.00 -0.58 -0.05 0.00 0.27 0.00 0.00 31.44 31.09 1vsa n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vsa n GLY 84 N 1.69 -2.11 0.28 8.31 0.00 -1.26 -2.91 105.19 109.19 1vsa n GLY 84 Ca 0.02 -1.22 0.19 0.00 0.00 0.00 0.00 46.02 45.01 1vsa n GLY 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1vsa n LEU 85 N -3.69 0.00 0.00 0.99 -0.00 -1.26 -4.64 117.00 108.40 1vsa n LEU 85 Ca -0.01 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1vsa n LEU 85 Cb 0.51 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 1vsa n LEU 85 CO 0.01 -0.40 0.00 -1.20 -0.00 0.00 0.00 177.39 175.81 1vsa n SER 86 N -2.53 0.00 0.04 1.45 7.64 -1.05 -4.83 113.62 114.34 1vsa n SER 86 Ca 0.16 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.87 1vsa n SER 86 Cb 0.81 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.87 1vsa n SER 86 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1vsa h PRO 87 N 0.00 0.22 0.00 1.43 0.13 -1.83 -3.42 132.00 128.53 1vsa h PRO 87 Ca 0.00 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1vsa h PRO 87 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1vsa h PRO 87 CO 0.00 1.04 0.00 0.36 -0.23 0.00 0.00 178.00 179.17 1vsa n LYS 88 N -3.40 0.00 0.00 0.86 2.85 -1.26 1.00 118.16 118.21 1vsa n LYS 88 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1vsa n LYS 88 Cb 1.05 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.43 1vsa n LYS 88 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1vsa n GLU 89 N -0.98 0.00 0.27 -1.58 0.00 -1.26 -0.45 120.64 116.64 1vsa n GLU 89 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 1vsa n GLU 89 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1vsa n GLU 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1vsa h ILE 90 N 0.00 0.29 -0.50 3.84 1.08 0.32 0.77 117.51 123.30 1vsa h ILE 90 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1vsa h ILE 90 Cb 0.00 0.29 -0.06 0.00 -3.07 0.00 0.00 36.82 33.98 1vsa h ILE 90 CO 0.00 0.00 -0.30 0.29 -0.69 0.00 0.00 178.15 177.45 1vsa n LYS 91 N -5.47 -0.22 -0.06 2.37 4.01 0.40 0.75 118.16 119.94 1vsa n LYS 91 Ca -0.11 0.90 -0.14 0.00 -0.51 0.00 0.00 58.31 58.45 1vsa n LYS 91 Cb 0.37 -1.33 -0.07 0.00 -0.51 0.00 0.00 35.03 33.50 1vsa n LYS 91 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1vsa h LYS 92 N 0.00 0.54 0.00 1.97 1.63 -1.51 -2.98 116.57 116.22 1vsa h LYS 92 Ca 0.08 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1vsa h LYS 92 Cb 0.21 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1vsa h LYS 92 CO -0.47 0.94 0.00 0.39 -3.45 0.00 0.00 179.45 176.86 1vsa n GLU 93 N -4.34 0.01 -3.44 1.90 -0.58 0.15 -4.42 120.64 109.93 1vsa n GLU 93 Ca -0.06 0.06 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1vsa n GLU 93 Cb 0.48 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.78 1vsa n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1vsa s LEU 94 N -2.11 4.17 0.00 -4.62 1.02 0.23 -4.97 118.68 112.40 1vsa s LEU 94 Ca 0.01 0.49 0.00 0.00 0.02 0.00 0.00 54.13 54.64 1vsa s LEU 94 Cb 0.00 -2.46 0.00 0.00 0.02 0.00 0.00 46.19 43.76 1vsa s LEU 94 CO 0.01 -0.03 0.50 0.18 0.02 0.00 0.00 176.35 177.03