#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n ALA 4 N 0.00 0.00 0.00 6.98 0.00 -1.26 -5.12 120.51 121.11 1vsa n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 4 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1vsa n TYR 5 N 0.00 0.00 -0.41 0.00 9.36 -1.26 -5.05 117.16 119.79 1vsa n TYR 5 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 1vsa n TYR 5 Cb 0.00 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.63 1vsa n TYR 5 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1vsa n ASP 6 N 0.00 0.94 0.00 2.98 5.75 -1.26 -2.97 116.55 121.99 1vsa n ASP 6 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 1vsa n ASP 6 Cb 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1vsa n ASP 6 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1vsa n VAL 7 N 6.30 0.00 -4.10 2.12 0.31 -1.26 -5.10 118.33 116.60 1vsa n VAL 7 Ca 0.34 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.41 1vsa n VAL 7 Cb 0.29 0.17 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1vsa n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1vsa s ILE 8 N 0.00 4.39 0.00 2.52 1.09 -1.16 -1.48 121.20 126.56 1vsa s ILE 8 Ca 0.00 -1.12 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 1vsa s ILE 8 Cb 0.00 -3.23 0.00 0.00 -1.06 0.00 0.00 42.46 38.17 1vsa s ILE 8 CO 0.00 -0.11 0.00 0.18 -0.10 0.00 0.00 174.94 174.91 1vsa n LEU 9 N -0.31 0.00 -3.62 2.97 4.77 -1.16 -4.88 117.00 114.77 1vsa n LEU 9 Ca -0.08 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.85 1vsa n LEU 9 Cb 0.55 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1vsa n LEU 9 CO 0.43 0.00 1.05 0.00 -1.33 0.00 0.00 177.39 177.54 1vsa s ALA 10 N -2.00 -2.07 0.37 -1.18 0.00 0.41 -4.99 121.76 112.29 1vsa s ALA 10 Ca 0.00 1.80 -0.07 0.00 0.00 0.00 0.00 51.96 53.69 1vsa s ALA 10 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1vsa s ALA 10 CO 0.00 -0.29 -0.39 -2.30 0.00 0.00 0.00 175.76 172.78 1vsa n PRO 11 N 0.51 0.00 0.00 0.00 -0.02 -1.26 -0.31 135.00 133.92 1vsa n PRO 11 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1vsa n PRO 11 Cb 0.59 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 1vsa n PRO 11 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1vsa n VAL 12 N -1.57 0.00 0.01 -1.45 3.14 -0.70 -3.60 118.33 114.16 1vsa n VAL 12 Ca -0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vsa n VAL 12 Cb 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1vsa n VAL 12 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vsa n LEU 13 N 0.00 -0.24 -2.41 6.55 -0.00 -1.26 -4.98 117.00 114.67 1vsa n LEU 13 Ca 0.00 0.52 -0.22 0.00 -0.00 0.00 0.00 56.01 56.31 1vsa n LEU 13 Cb 0.00 0.69 0.01 0.00 -0.00 0.00 0.00 43.42 44.12 1vsa n LEU 13 CO 0.00 0.02 -0.55 -0.24 -0.00 0.00 0.00 177.39 176.62 1vsa n SER 14 N -3.02 -2.74 0.22 1.45 2.88 -1.26 -4.53 113.62 106.61 1vsa n SER 14 Ca 0.00 0.26 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 1vsa n SER 14 Cb 0.00 -0.47 0.62 0.00 -0.75 0.00 0.00 64.21 63.61 1vsa n SER 14 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1vsa h GLU 15 N -0.26 0.00 0.03 -1.46 4.81 -2.02 -0.85 114.58 114.83 1vsa h GLU 15 Ca -0.25 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1vsa h GLU 15 Cb 0.81 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 1vsa h GLU 15 CO 0.20 0.00 -0.32 0.87 -0.73 0.00 0.00 179.01 179.03 1vsa h LYS 16 N 0.00 -0.47 -0.82 1.92 1.57 -2.00 0.40 116.57 117.17 1vsa h LYS 16 Ca 0.00 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.97 1vsa h LYS 16 Cb 0.34 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.66 1vsa h LYS 16 CO 0.00 -0.31 0.37 0.00 -0.57 0.00 0.00 179.45 178.94 1vsa h ALA 17 N 0.23 1.23 0.00 3.86 0.00 -1.40 0.11 119.26 123.29 1vsa h ALA 17 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1vsa h ALA 17 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1vsa h ALA 17 CO -0.25 -0.20 0.00 0.66 0.00 0.00 0.00 179.25 179.46 1vsa n TYR 18 N -4.97 0.00 0.00 0.00 4.01 0.14 -1.85 117.16 114.49 1vsa n TYR 18 Ca 0.17 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1vsa n TYR 18 Cb 0.48 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1vsa n TYR 18 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vsa n ALA 19 N 1.19 1.34 -0.22 -0.72 0.00 0.37 -4.93 120.51 117.55 1vsa n ALA 19 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1vsa n ALA 19 Cb 0.21 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.99 1vsa n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 20 N 0.77 -0.40 0.19 0.00 0.00 -0.77 -1.31 105.19 103.68 1vsa n GLY 20 Ca 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 1vsa n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1vsa h PHE 21 N 0.00 -0.76 -0.19 1.61 0.05 -1.81 -1.46 116.94 114.37 1vsa h PHE 21 Ca 0.42 0.04 0.02 0.00 3.82 0.00 0.00 57.97 62.27 1vsa h PHE 21 Cb 1.33 0.36 -0.02 0.00 2.00 0.00 0.00 35.95 39.62 1vsa h PHE 21 CO -0.00 -0.20 -0.11 0.00 -0.18 0.00 0.00 178.31 177.81 1vsa n ALA 22 N -2.92 -0.12 0.13 2.45 0.00 -0.43 -4.69 120.51 114.92 1vsa n ALA 22 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1vsa n ALA 22 Cb 0.14 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1vsa n ALA 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1vsa n GLU 23 N -3.30 0.00 -3.05 0.00 4.07 -1.18 -4.99 120.64 112.19 1vsa n GLU 23 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 1vsa n GLU 23 Cb 0.05 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.37 1vsa n GLU 23 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1vsa s GLY 24 N -3.28 1.67 0.81 8.31 0.00 -1.21 -4.55 107.32 109.07 1vsa s GLY 24 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 44.72 43.46 1vsa s GLY 24 CO 0.00 1.63 0.42 1.17 0.00 0.00 0.00 173.10 176.32 1vsa n LYS 25 N 6.44 -2.28 0.00 2.90 3.00 -0.56 -2.22 118.16 125.44 1vsa n LYS 25 Ca -0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 58.31 57.60 1vsa n LYS 25 Cb 0.48 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 34.39 1vsa n LYS 25 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1vsa n TYR 26 N -4.29 0.00 -4.61 5.64 4.11 -1.26 -3.68 117.16 113.07 1vsa n TYR 26 Ca 0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.65 1vsa n TYR 26 Cb 0.29 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.57 1vsa n TYR 26 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1vsa s THR 27 N 0.07 1.30 0.27 -3.48 2.01 -1.26 -4.28 115.64 110.27 1vsa s THR 27 Ca 0.00 -1.91 -0.15 0.00 0.31 0.00 0.00 61.69 59.94 1vsa s THR 27 Cb 0.00 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.31 1vsa s THR 27 CO 0.00 0.00 0.58 -0.36 -0.69 0.00 0.00 174.62 174.15 1vsa s PHE 28 N -2.85 0.21 -0.02 4.92 0.40 0.17 -1.72 117.98 119.10 1vsa s PHE 28 Ca 0.12 -0.62 0.05 0.00 -0.60 0.00 0.00 56.93 55.88 1vsa s PHE 28 Cb 0.01 0.39 -0.01 0.00 0.51 0.00 0.00 43.02 43.92 1vsa s PHE 28 CO 0.07 -1.12 -0.17 -1.58 0.70 0.00 0.00 175.22 173.11 1vsa s TRP 29 N -3.81 1.56 0.27 0.36 0.52 0.57 -2.50 118.94 115.92 1vsa s TRP 29 Ca 0.19 -0.32 -0.14 0.00 0.02 0.00 0.00 56.10 55.84 1vsa s TRP 29 Cb -0.03 -1.02 0.01 0.00 -1.15 0.00 0.00 33.47 31.28 1vsa s TRP 29 CO 0.09 -0.05 0.55 0.08 0.02 0.00 0.00 176.95 177.64 1vsa s VAL 30 N -0.32 0.00 0.17 4.03 1.01 -1.14 -0.45 120.40 123.71 1vsa s VAL 30 Ca 0.05 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 1vsa s VAL 30 Cb -0.07 -2.24 -0.12 0.00 0.00 0.00 0.00 36.38 33.94 1vsa s VAL 30 CO -0.00 0.00 0.32 1.57 0.00 0.00 0.00 175.10 176.99 1vsa n HIS 31 N -0.42 -0.54 0.00 5.22 -0.00 -0.55 -4.26 115.22 114.67 1vsa n HIS 31 Ca -0.02 0.65 0.00 0.00 0.46 0.00 0.00 57.72 58.81 1vsa n HIS 31 Cb 0.61 -1.37 0.00 0.00 -0.12 0.00 0.00 29.99 29.11 1vsa n HIS 31 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1vsa n PRO 32 N 0.75 0.00 0.00 1.57 -0.04 -1.26 -4.68 135.00 131.34 1vsa n PRO 32 Ca 0.12 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1vsa n PRO 32 Cb 0.20 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1vsa n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vsa n LYS 33 N -1.37 1.81 -2.19 0.54 4.76 -1.26 -4.60 118.16 115.85 1vsa n LYS 33 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1vsa n LYS 33 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1vsa n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vsa n ALA 34 N -3.00 -0.56 -0.56 7.82 0.00 -1.26 -4.76 120.51 118.19 1vsa n ALA 34 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 1vsa n ALA 34 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 17.40 1vsa n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1vsa n THR 35 N -3.46 0.00 -0.56 0.00 -1.04 -1.26 -4.70 114.28 103.27 1vsa n THR 35 Ca -0.22 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 1vsa n THR 35 Cb 0.66 -0.90 -0.11 0.00 -1.82 0.00 0.00 70.33 68.16 1vsa n THR 35 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vsa n LYS 36 N 4.97 0.00 0.00 -2.82 5.02 -1.26 -4.59 118.16 119.48 1vsa n LYS 36 Ca 0.14 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 1vsa n LYS 36 Cb 0.21 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1vsa n LYS 36 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1vsa n THR 37 N 6.77 0.00 -4.05 -0.18 5.66 -1.26 -2.95 114.28 118.27 1vsa n THR 37 Ca 0.43 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 61.10 1vsa n THR 37 Cb 0.41 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.04 1vsa n THR 37 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1vsa s GLU 38 N -1.56 2.81 -0.26 1.09 1.03 -1.26 -5.01 118.70 115.54 1vsa s GLU 38 Ca 0.00 -0.97 0.11 0.00 0.03 0.00 0.00 54.97 54.15 1vsa s GLU 38 Cb 0.00 -2.78 0.46 0.00 -0.80 0.00 0.00 34.13 31.01 1vsa s GLU 38 CO 0.00 -0.34 1.18 0.44 -1.33 0.00 0.00 175.26 175.21 1vsa n ILE 39 N 4.60 2.14 0.26 1.83 -6.64 -1.15 -4.77 119.36 115.63 1vsa n ILE 39 Ca -0.18 -3.69 0.12 0.00 -1.77 0.00 0.00 62.75 57.22 1vsa n ILE 39 Cb 0.48 -0.47 0.50 0.00 -1.44 0.00 0.00 39.64 38.70 1vsa n ILE 39 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 1vsa h LYS 40 N 2.02 0.00 -3.24 6.28 1.57 -1.95 -2.07 116.57 119.18 1vsa h LYS 40 Ca 0.19 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.24 1vsa h LYS 40 Cb 1.42 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.62 1vsa h LYS 40 CO 0.51 0.00 2.43 0.09 -0.57 0.00 0.00 179.45 181.91 1vsa n ASN 41 N -2.88 6.18 0.00 0.86 5.03 -1.26 -0.36 115.26 122.83 1vsa n ASN 41 Ca 0.02 -3.04 0.00 0.00 0.87 0.00 0.00 54.58 52.43 1vsa n ASN 41 Cb 0.72 -1.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.02 1vsa n ASN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vsa n ALA 42 N 3.42 0.00 0.01 5.41 0.00 -0.79 -4.80 120.51 123.76 1vsa n ALA 42 Ca 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.83 1vsa n ALA 42 Cb 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.63 1vsa n ALA 42 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1vsa h VAL 43 N 0.00 0.95 0.00 0.00 3.04 -1.44 -3.29 116.25 115.50 1vsa h VAL 43 Ca 0.00 -2.73 -0.23 0.00 -1.01 0.00 0.00 66.70 62.73 1vsa h VAL 43 Cb 0.00 2.54 -0.04 0.00 -2.01 0.00 0.00 31.29 31.77 1vsa h VAL 43 CO 0.00 0.66 -1.87 -0.62 -1.01 0.00 0.00 177.57 174.73 1vsa n GLU 44 N -3.22 0.78 -0.01 4.17 1.02 0.52 0.53 120.64 124.43 1vsa n GLU 44 Ca -0.18 0.07 0.03 0.00 -0.02 0.00 0.00 57.16 57.06 1vsa n GLU 44 Cb 1.04 -1.31 0.18 0.00 -0.02 0.00 0.00 31.44 31.32 1vsa n GLU 44 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1vsa n THR 45 N -2.83 0.02 0.00 2.62 -2.24 -1.14 -2.93 114.28 107.78 1vsa n THR 45 Ca -0.26 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1vsa n THR 45 Cb 0.82 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1vsa n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsa n ALA 46 N -0.53 2.79 -0.11 6.98 0.00 -1.24 -4.75 120.51 123.65 1vsa n ALA 46 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1vsa n ALA 46 Cb 0.04 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 1vsa n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1vsa n PHE 47 N -2.35 0.00 0.00 0.00 3.01 -1.12 -5.03 117.46 111.98 1vsa n PHE 47 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1vsa n PHE 47 Cb 0.04 -0.80 0.00 0.00 -0.01 0.00 0.00 39.48 38.71 1vsa n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1vsa n LYS 48 N -3.25 0.00 -1.99 -1.08 5.02 0.19 -4.93 118.16 112.11 1vsa n LYS 48 Ca -0.38 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.57 1vsa n LYS 48 Cb 0.88 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.92 1vsa n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1vsa s VAL 49 N -0.48 3.08 0.27 -0.18 -7.23 -1.25 -4.69 120.40 109.91 1vsa s VAL 49 Ca 0.00 0.59 -0.11 0.00 -1.81 0.00 0.00 61.98 60.65 1vsa s VAL 49 Cb 0.00 -3.17 -0.08 0.00 0.56 0.00 0.00 36.38 33.70 1vsa s VAL 49 CO 0.00 -0.22 0.63 -0.75 -0.31 0.00 0.00 175.10 174.45 1vsa s LYS 50 N -3.64 3.87 0.00 4.82 2.47 -1.26 -4.65 119.74 121.35 1vsa s LYS 50 Ca 0.71 0.42 0.00 0.00 -1.56 0.00 0.00 55.97 55.54 1vsa s LYS 50 Cb -0.24 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.58 1vsa s LYS 50 CO 0.34 0.24 0.00 1.33 0.16 0.00 0.00 175.35 177.42 1vsa n VAL 51 N -0.29 0.00 0.00 4.02 0.24 -1.26 -2.48 118.33 118.56 1vsa n VAL 51 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1vsa n VAL 51 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1vsa n VAL 51 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1vsa n VAL 52 N 0.00 0.00 -4.19 3.34 0.31 -1.26 -4.34 118.33 112.19 1vsa n VAL 52 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1vsa n VAL 52 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1vsa n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1vsa s LYS 53 N 0.71 2.56 -0.18 5.55 2.20 -1.26 -4.86 119.74 124.46 1vsa s LYS 53 Ca 0.00 -1.14 -0.35 0.00 -0.36 0.00 0.00 55.97 54.12 1vsa s LYS 53 Cb 0.00 -2.39 0.14 0.00 -1.51 0.00 0.00 37.83 34.06 1vsa s LYS 53 CO 0.00 0.42 1.20 0.54 -0.36 0.00 0.00 175.35 177.16 1vsa s VAL 54 N -1.98 0.00 0.00 4.02 0.11 -1.26 -3.08 120.40 118.21 1vsa s VAL 54 Ca 0.30 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1vsa s VAL 54 Cb -0.08 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1vsa s VAL 54 CO 0.21 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.57 1vsa n ASN 55 N -0.10 0.00 -3.65 3.54 3.02 -1.26 -5.03 115.26 111.78 1vsa n ASN 55 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 1vsa n ASN 55 Cb 0.58 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.69 1vsa n ASN 55 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vsa s THR 56 N 0.66 0.00 0.00 3.41 -4.23 -1.26 -5.06 115.64 109.16 1vsa s THR 56 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1vsa s THR 56 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1vsa s THR 56 CO 0.00 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 173.97 1vsa n LEU 57 N 2.75 0.00 0.00 4.79 7.94 -1.19 -5.04 117.00 126.25 1vsa n LEU 57 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1vsa n LEU 57 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1vsa n LEU 57 CO 0.06 0.00 0.00 1.41 -1.11 0.00 0.00 177.39 177.75 1vsa n HIS 58 N 0.00 0.00 -3.06 1.96 8.25 -1.22 -4.98 115.22 116.17 1vsa n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vsa n HIS 58 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vsa n HIS 58 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1vsa n VAL 59 N 0.00 0.00 0.00 1.59 0.24 -1.19 -5.01 118.33 113.96 1vsa n VAL 59 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vsa n VAL 59 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vsa n VAL 59 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1vsa n ARG 60 N 0.00 0.00 0.00 7.34 3.00 -1.26 -2.86 116.66 122.88 1vsa n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1vsa n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1vsa n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsa n GLY 61 N -0.34 2.26 0.00 -0.13 0.00 -1.21 -4.97 105.19 100.80 1vsa n GLY 61 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1vsa n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vsa n LYS 62 N 0.00 0.00 -4.22 1.61 -0.00 -0.93 -2.09 118.16 112.53 1vsa n LYS 62 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1vsa n LYS 62 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 34.92 1vsa n LYS 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1vsa s LYS 63 N 1.08 0.96 0.00 -1.58 2.36 -1.26 -4.58 119.74 116.71 1vsa s LYS 63 Ca 0.00 -1.18 0.00 0.00 -2.55 0.00 0.00 55.97 52.24 1vsa s LYS 63 Cb 0.00 -0.82 0.00 0.00 -1.05 0.00 0.00 37.83 35.96 1vsa s LYS 63 CO 0.00 0.16 0.00 1.63 1.55 0.00 0.00 175.35 178.69 1vsa n LYS 64 N 0.65 1.29 -0.34 4.03 4.01 -1.26 -4.49 118.16 122.05 1vsa n LYS 64 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1vsa n LYS 64 Cb 0.57 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.09 1vsa n LYS 64 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1vsa n ARG 65 N 0.00 0.00 0.00 1.97 5.12 -1.26 -4.63 116.66 117.86 1vsa n ARG 65 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1vsa n ARG 65 Cb 0.00 -0.16 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 1vsa n ARG 65 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1vsa n LEU 66 N -0.26 0.00 0.00 0.55 7.99 -1.26 -4.71 117.00 119.31 1vsa n LEU 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1vsa n LEU 66 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1vsa n LEU 66 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1vsa n GLY 67 N 0.00 0.89 3.25 -0.72 0.00 -1.26 -5.13 105.19 102.21 1vsa n GLY 67 Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 1vsa n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vsa s ARG 68 N 0.13 1.40 0.00 1.61 0.52 -1.26 -4.73 118.95 116.61 1vsa s ARG 68 Ca 0.00 -1.73 0.00 0.00 -0.52 0.00 0.00 55.73 53.48 1vsa s ARG 68 Cb 0.00 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.77 1vsa s ARG 68 CO 0.00 -0.49 0.00 0.66 0.02 0.00 0.00 175.30 175.49 1vsa n TYR 69 N -0.39 0.00 -2.88 -0.53 0.53 -1.26 -4.90 117.16 107.74 1vsa n TYR 69 Ca 0.03 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.94 1vsa n TYR 69 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.96 1vsa n TYR 69 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1vsa s LEU 70 N 0.00 -0.45 0.00 7.72 1.98 -1.18 -4.50 118.68 122.25 1vsa s LEU 70 Ca 0.00 -0.17 0.00 0.00 -2.89 0.00 0.00 54.13 51.07 1vsa s LEU 70 Cb 0.00 0.71 0.00 0.00 0.66 0.00 0.00 46.19 47.56 1vsa s LEU 70 CO 0.00 -0.06 0.00 0.61 -1.89 0.00 0.00 176.35 175.01 1vsa n GLY 71 N 4.03 2.63 0.00 7.98 0.00 -0.89 -2.19 105.19 116.75 1vsa n GLY 71 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1vsa n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vsa n LYS 72 N 0.00 2.15 -3.76 1.61 2.85 -1.26 -3.29 118.16 116.45 1vsa n LYS 72 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 1vsa n LYS 72 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 1vsa n LYS 72 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1vsa s ARG 73 N 0.00 2.74 0.30 -1.58 0.52 -1.26 -4.34 118.95 115.33 1vsa s ARG 73 Ca 0.00 -3.00 -0.29 0.00 -0.52 0.00 0.00 55.73 51.92 1vsa s ARG 73 Cb 0.00 -3.70 -0.10 0.00 0.52 0.00 0.00 34.95 31.67 1vsa s ARG 73 CO 0.00 -1.22 1.37 -1.25 0.02 0.00 0.00 175.30 174.21 1vsa s PRO 74 N -0.87 4.31 -0.07 3.54 0.04 -1.14 -4.40 135.00 136.41 1vsa s PRO 74 Ca 0.22 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 1vsa s PRO 74 Cb -0.13 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.36 1vsa s PRO 74 CO -0.09 -0.30 -0.01 0.34 0.04 0.00 0.00 177.00 176.98 1vsa s ASP 75 N -0.12 1.55 0.11 6.66 -1.08 -1.26 -3.14 116.67 119.39 1vsa s ASP 75 Ca 0.53 -0.10 -0.06 0.00 -0.52 0.00 0.00 52.55 52.40 1vsa s ASP 75 Cb -0.41 -0.46 -0.02 0.00 -1.46 0.00 0.00 42.92 40.58 1vsa s ASP 75 CO 0.49 -0.18 0.15 -0.13 0.52 0.00 0.00 175.17 176.03 1vsa s ARG 76 N 1.86 0.89 0.00 4.34 3.00 -1.26 -2.87 118.95 124.91 1vsa s ARG 76 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 55.73 54.63 1vsa s ARG 76 Cb -0.12 0.31 0.00 0.00 0.00 0.00 0.00 34.95 35.14 1vsa s ARG 76 CO -0.05 -0.28 0.00 1.63 0.00 0.00 0.00 175.30 176.61 1vsa n LYS 77 N -0.07 0.00 0.00 3.54 4.76 -1.04 -3.18 118.16 122.17 1vsa n LYS 77 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1vsa n LYS 77 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 1vsa n LYS 77 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1vsa n LYS 78 N 0.00 0.00 0.00 1.97 -0.00 -1.26 0.47 118.16 119.33 1vsa n LYS 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsa n LYS 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1vsa n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vsa n ALA 79 N -3.00 0.00 -0.19 0.58 0.00 -1.23 -4.58 120.51 112.09 1vsa n ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 79 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1vsa n ILE 80 N -0.06 0.00 0.00 0.00 2.08 -1.18 -3.86 119.36 116.34 1vsa n ILE 80 Ca 0.00 1.34 0.00 0.00 0.56 0.00 0.00 62.75 64.65 1vsa n ILE 80 Cb 0.00 -2.33 0.00 0.00 -0.75 0.00 0.00 39.64 36.56 1vsa n ILE 80 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 1vsa n VAL 81 N -1.72 0.00 0.00 1.39 3.14 -1.26 -2.83 118.33 117.05 1vsa n VAL 81 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vsa n VAL 81 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1vsa n VAL 81 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1vsa n GLN 82 N 0.00 0.00 -0.10 1.45 -0.06 -1.04 -4.41 117.38 113.22 1vsa n GLN 82 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 57.00 55.06 1vsa n GLN 82 Cb 0.00 0.00 0.11 0.00 -4.06 0.00 0.00 30.24 26.29 1vsa n GLN 82 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1vsa n VAL 83 N 0.00 0.52 0.00 1.69 0.24 -1.26 -4.87 118.33 114.65 1vsa n VAL 83 Ca 0.00 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 1vsa n VAL 83 Cb 0.00 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1vsa n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n ALA 84 N 0.62 0.00 0.67 2.33 0.00 -1.26 -5.02 120.51 117.85 1vsa n ALA 84 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.58 1vsa n ALA 84 Cb 0.37 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.05 1vsa n ALA 84 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vsa n PRO 85 N 0.00 0.33 -2.49 0.00 -0.02 -1.26 -4.69 135.00 126.87 1vsa n PRO 85 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1vsa n PRO 85 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1vsa n PRO 85 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1vsa s GLY 86 N -1.91 0.82 0.00 -1.23 0.00 -1.26 -4.90 107.32 98.84 1vsa s GLY 86 Ca 0.12 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1vsa s GLY 86 CO 0.09 2.73 0.00 -1.06 0.00 0.00 0.00 173.10 174.86 1vsa n GLN 87 N 9.28 0.00 0.00 2.90 6.02 -1.26 -4.64 117.38 129.68 1vsa n GLN 87 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1vsa n GLN 87 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 1vsa n GLN 87 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1vsa n LYS 88 N 0.00 0.00 0.00 -1.09 3.00 -1.26 -4.96 118.16 113.85 1vsa n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsa n LYS 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1vsa n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1vsa n ILE 89 N 0.00 0.00 0.18 3.15 -0.00 -1.26 -4.96 119.36 116.47 1vsa n ILE 89 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 62.75 62.61 1vsa n ILE 89 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 39.56 1vsa n ILE 89 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1vsa h GLU 90 N 0.00 -0.39 0.00 0.38 5.08 -1.93 -3.26 114.58 114.46 1vsa h GLU 90 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1vsa h GLU 90 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vsa h GLU 90 CO 0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 179.01 177.79 1vsa n ALA 91 N -2.31 2.07 -1.10 3.43 0.00 -1.26 -4.13 120.51 117.21 1vsa n ALA 91 Ca -0.10 -1.63 -0.10 0.00 0.00 0.00 0.00 53.44 51.61 1vsa n ALA 91 Cb 0.20 -0.16 0.28 0.00 0.00 0.00 0.00 19.45 19.77 1vsa n ALA 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vsa n LEU 92 N -0.84 6.27 0.00 0.00 4.77 -1.23 -4.75 117.00 121.22 1vsa n LEU 92 Ca 0.06 -3.32 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 1vsa n LEU 92 Cb 0.43 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1vsa n LEU 92 CO 0.00 0.87 0.00 1.21 -1.33 0.00 0.00 177.39 178.15 1vsa n GLU 93 N -0.39 0.00 0.00 3.23 0.00 -1.25 -4.72 120.64 117.51 1vsa n GLU 93 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.62 1vsa n GLU 93 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.90 1vsa n GLU 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54