#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa s ARG 3 N 0.00 1.49 -0.08 -0.52 3.52 -1.26 -5.15 118.95 116.95 1vsa s ARG 3 Ca 0.00 -1.23 -0.13 0.00 -0.13 0.00 0.00 55.73 54.24 1vsa s ARG 3 Cb 0.00 -1.85 0.03 0.00 -1.56 0.00 0.00 34.95 31.57 1vsa s ARG 3 CO 0.00 0.45 0.32 0.00 -0.81 0.00 0.00 175.30 175.26 1vsa s ALA 4 N -0.97 -0.80 0.00 6.12 0.00 -1.26 -5.17 121.76 119.67 1vsa s ALA 4 Ca 0.12 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1vsa s ALA 4 Cb -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1vsa s ALA 4 CO 0.04 -0.20 0.00 0.36 0.00 0.00 0.00 175.76 175.97 1vsa n LYS 5 N 2.29 1.83 0.00 0.00 2.85 -1.26 -5.17 118.16 118.71 1vsa n LYS 5 Ca -0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 1vsa n LYS 5 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 1vsa n LYS 5 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1vsa n THR 6 N 0.00 0.00 0.00 0.58 -1.04 -1.26 -5.10 114.28 107.46 1vsa n THR 6 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1vsa n THR 6 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1vsa n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vsa n GLY 7 N 4.61 1.24 0.00 3.41 0.00 -1.26 -4.55 105.19 108.65 1vsa n GLY 7 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1vsa n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vsa n VAL 8 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.93 118.33 114.06 1vsa n VAL 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vsa n VAL 8 Cb 0.00 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1vsa n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1vsa n VAL 9 N -1.34 0.00 -0.24 2.52 0.31 -1.26 -2.95 118.33 115.37 1vsa n VAL 9 Ca 0.00 0.75 -0.09 0.00 -0.01 0.00 0.00 64.34 64.99 1vsa n VAL 9 Cb 0.06 -1.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.84 1vsa n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1vsa h ARG 10 N 0.00 -0.12 -0.99 5.55 2.43 -1.95 -2.03 114.38 117.28 1vsa h ARG 10 Ca 0.00 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.35 1vsa h ARG 10 Cb 0.00 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 29.40 1vsa h ARG 10 CO 0.00 -0.08 -0.31 2.89 -1.51 0.00 0.00 179.97 180.96 1vsa n ARG 11 N -4.74 -0.16 0.17 0.20 1.85 -1.15 -0.40 116.66 112.43 1vsa n ARG 11 Ca -0.00 1.54 -0.16 0.00 -1.00 0.00 0.00 57.85 58.23 1vsa n ARG 11 Cb 0.22 -2.29 -0.09 0.00 -1.05 0.00 0.00 32.46 29.25 1vsa n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vsa h ARG 12 N 0.00 -0.76 -1.20 2.89 3.08 -1.33 0.97 114.38 118.04 1vsa h ARG 12 Ca 0.41 0.05 0.34 0.00 0.07 0.00 0.00 59.98 60.86 1vsa h ARG 12 Cb 0.66 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 1vsa h ARG 12 CO -1.00 -0.51 0.85 0.87 -1.07 0.00 0.00 179.97 179.11 1vsa h LYS 13 N -0.79 0.03 0.00 0.04 1.79 -0.48 0.70 116.57 117.86 1vsa h LYS 13 Ca -0.01 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1vsa h LYS 13 Cb 0.76 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1vsa h LYS 13 CO -0.20 0.02 -1.20 0.72 -1.08 0.00 0.00 179.45 177.71 1vsa n HIS 14 N -4.22 0.06 0.07 -1.35 8.25 -0.37 -4.10 115.22 113.57 1vsa n HIS 14 Ca 0.26 0.02 -0.07 0.00 -0.26 0.00 0.00 57.72 57.67 1vsa n HIS 14 Cb 1.24 -0.22 0.08 0.00 1.12 0.00 0.00 29.99 32.20 1vsa n HIS 14 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1vsa h LYS 15 N 0.00 0.28 -0.62 -0.41 2.10 0.72 -2.97 116.57 115.67 1vsa h LYS 15 Ca 0.00 -0.21 0.10 0.00 -2.00 0.00 0.00 60.65 58.54 1vsa h LYS 15 Cb 0.66 0.04 -0.12 0.00 -0.90 0.00 0.00 32.23 31.92 1vsa h LYS 15 CO 0.00 0.85 -0.36 0.87 -2.00 0.00 0.00 179.45 178.80 1vsa h LYS 16 N 0.20 -0.16 -0.15 0.07 1.57 -1.55 0.20 116.57 116.75 1vsa h LYS 16 Ca -0.02 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1vsa h LYS 16 Cb 1.21 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 1vsa h LYS 16 CO 0.11 -0.11 -0.36 0.82 -0.57 0.00 0.00 179.45 179.34 1vsa h ILE 17 N -0.16 0.00 -0.34 1.86 2.04 -1.76 -2.27 117.51 116.88 1vsa h ILE 17 Ca 0.23 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.13 1vsa h ILE 17 Cb 0.56 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1vsa h ILE 17 CO -0.71 0.00 -0.17 0.18 0.00 0.00 0.00 178.15 177.45 1vsa n LEU 18 N -4.45 -0.30 -0.11 1.44 4.77 0.03 0.13 117.00 118.51 1vsa n LEU 18 Ca -0.03 0.59 -0.07 0.00 -0.03 0.00 0.00 56.01 56.46 1vsa n LEU 18 Cb 0.24 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1vsa n LEU 18 CO 0.04 -0.50 1.00 0.11 -1.33 0.00 0.00 177.39 176.70 1vsa h LYS 19 N 0.00 0.40 0.00 3.23 1.79 -1.05 -2.41 116.57 118.54 1vsa h LYS 19 Ca 0.08 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1vsa h LYS 19 Cb 0.16 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1vsa h LYS 19 CO -0.32 0.27 0.00 -0.07 -1.08 0.00 0.00 179.45 178.24 1vsa h LEU 20 N 0.41 0.00 0.00 2.94 -0.00 0.14 -3.15 115.31 115.65 1vsa h LEU 20 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1vsa h LEU 20 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1vsa h LEU 20 CO -0.08 0.00 -0.73 0.00 -0.00 0.00 0.00 178.44 177.63 1vsa h ALA 21 N 2.23 0.55 -1.71 1.53 0.00 -0.49 -3.48 119.26 117.89 1vsa h ALA 21 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1vsa h ALA 21 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vsa h ALA 21 CO 0.00 0.00 1.16 1.63 0.00 0.00 0.00 179.25 182.04 1vsa n LYS 22 N -2.27 1.70 0.00 0.00 4.76 -1.17 -1.77 118.16 119.41 1vsa n LYS 22 Ca 0.02 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1vsa n LYS 22 Cb 0.47 -2.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.13 1vsa n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vsa n GLY 23 N 4.94 1.89 3.80 0.72 0.00 -1.26 -5.11 105.19 110.17 1vsa n GLY 23 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 1vsa n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vsa s TYR 24 N -2.02 2.72 0.00 1.61 4.12 -0.73 -5.07 117.35 117.99 1vsa s TYR 24 Ca 0.00 1.01 0.00 0.00 0.02 0.00 0.00 57.07 58.10 1vsa s TYR 24 Cb 0.00 -3.25 0.00 0.00 -1.52 0.00 0.00 41.96 37.19 1vsa s TYR 24 CO 0.00 -2.00 0.00 1.87 0.02 0.00 0.00 175.55 175.44 1vsa n TRP 25 N -3.55 0.00 0.00 2.71 -0.00 -1.26 -4.44 117.44 110.89 1vsa n TRP 25 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 1vsa n TRP 25 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.89 1vsa n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1vsa n GLY 26 N 5.00 -0.55 0.15 5.87 0.00 -1.26 -3.85 105.19 110.55 1vsa n GLY 26 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1vsa n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vsa h LEU 27 N 0.00 0.00 0.00 0.99 3.38 -1.95 -3.13 115.31 114.61 1vsa h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vsa h LEU 27 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1vsa h LEU 27 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 1vsa n ARG 28 N -2.46 0.05 0.00 1.13 1.74 -1.26 -0.83 116.66 115.03 1vsa n ARG 28 Ca 0.04 0.31 0.05 0.00 -0.77 0.00 0.00 57.85 57.47 1vsa n ARG 28 Cb 0.36 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.33 1vsa n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1vsa n SER 29 N -1.39 1.70 -2.75 0.55 3.41 -1.18 -4.46 113.62 109.50 1vsa n SER 29 Ca 0.02 -1.35 -0.02 0.00 -0.26 0.00 0.00 58.87 57.26 1vsa n SER 29 Cb 0.06 0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.15 1vsa n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vsa n LYS 30 N 0.43 1.49 -3.64 4.33 4.76 -0.01 -4.80 118.16 120.72 1vsa n LYS 30 Ca 0.05 -2.50 -0.13 0.00 -2.87 0.00 0.00 58.31 52.86 1vsa n LYS 30 Cb 0.23 -0.70 -0.07 0.00 -1.84 0.00 0.00 35.03 32.65 1vsa n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1vsa s SER 31 N -2.54 -0.74 0.01 4.39 0.15 -0.55 -4.96 113.70 109.46 1vsa s SER 31 Ca 0.20 1.38 -0.20 0.00 0.70 0.00 0.00 55.95 58.03 1vsa s SER 31 Cb 0.39 1.38 -0.20 0.00 -1.71 0.00 0.00 66.02 65.88 1vsa s SER 31 CO -0.07 -0.24 1.17 2.19 1.20 0.00 0.00 173.24 177.50 1vsa h PHE 32 N 5.33 0.53 0.00 3.44 -5.15 -1.88 0.44 116.94 119.65 1vsa h PHE 32 Ca -0.29 -0.25 -0.16 0.00 -0.20 0.00 0.00 57.97 57.07 1vsa h PHE 32 Cb 1.17 -0.08 -0.02 0.00 0.22 0.00 0.00 35.95 37.24 1vsa h PHE 32 CO 0.35 1.01 -0.82 0.07 -2.00 0.00 0.00 178.31 176.92 1vsa h ARG 33 N -0.10 0.00 0.18 6.09 0.11 -1.96 -1.80 114.38 116.90 1vsa h ARG 33 Ca -0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 1vsa h ARG 33 Cb 1.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1vsa h ARG 33 CO 0.08 0.71 -0.09 0.87 0.10 0.00 0.00 179.97 181.65 1vsa h LYS 34 N 0.00 -0.23 -1.00 0.08 1.79 -1.87 -2.24 116.57 113.09 1vsa h LYS 34 Ca -0.03 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1vsa h LYS 34 Cb 1.59 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 32.24 1vsa h LYS 34 CO 0.09 -0.08 0.66 0.00 -1.08 0.00 0.00 179.45 179.04 1vsa h ALA 35 N -0.96 1.29 -0.56 3.86 0.00 -0.27 0.19 119.26 122.81 1vsa h ALA 35 Ca -0.02 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1vsa h ALA 35 Cb 0.25 -0.39 -0.11 0.00 0.00 0.00 0.00 17.79 17.54 1vsa h ALA 35 CO 0.04 0.63 -0.28 -0.09 0.00 0.00 0.00 179.25 179.55 1vsa h ARG 36 N 1.33 -0.13 0.00 0.00 2.43 -1.42 0.48 114.38 117.08 1vsa h ARG 36 Ca 0.38 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1vsa h ARG 36 Cb -0.11 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1vsa h ARG 36 CO -0.09 -0.09 0.00 0.39 -1.51 0.00 0.00 179.97 178.67 1vsa n GLU 37 N -5.43 0.05 -0.09 0.20 1.02 0.62 -1.06 120.64 115.95 1vsa n GLU 37 Ca 0.05 0.28 -0.12 0.00 -0.02 0.00 0.00 57.16 57.34 1vsa n GLU 37 Cb 0.35 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 1vsa n GLU 37 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1vsa n THR 38 N -1.33 1.13 0.25 2.62 -1.04 0.14 -3.64 114.28 112.41 1vsa n THR 38 Ca 0.02 -0.53 0.07 0.00 -2.04 0.00 0.00 64.05 61.57 1vsa n THR 38 Cb 0.04 -0.98 0.37 0.00 -1.82 0.00 0.00 70.33 67.94 1vsa n THR 38 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1vsa h LEU 39 N 0.00 0.00 0.00 -4.42 3.38 0.10 1.04 115.31 115.42 1vsa h LEU 39 Ca -0.44 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1vsa h LEU 39 Cb 1.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1vsa h LEU 39 CO -0.04 0.00 -0.52 -0.26 0.09 0.00 0.00 178.44 177.72 1vsa h PHE 40 N 0.00 0.00 0.00 1.13 0.05 -1.66 -1.92 116.94 114.54 1vsa h PHE 40 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1vsa h PHE 40 Cb 1.02 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.97 1vsa h PHE 40 CO 0.00 0.66 0.00 0.00 -0.18 0.00 0.00 178.31 178.79 1vsa n ALA 41 N -3.17 -0.22 -0.23 2.45 0.00 0.26 -0.84 120.51 118.75 1vsa n ALA 41 Ca -0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.32 1vsa n ALA 41 Cb 0.38 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.93 1vsa n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa h ALA 42 N -2.00 0.56 -2.32 0.00 0.00 0.46 0.68 119.26 116.65 1vsa h ALA 42 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vsa h ALA 42 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vsa h ALA 42 CO 0.00 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.24 1vsa n GLY 43 N -1.43 -3.05 0.42 0.00 0.00 -0.72 0.98 105.19 101.38 1vsa n GLY 43 Ca 0.10 0.21 0.23 0.00 0.00 0.00 0.00 46.02 46.56 1vsa n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vsa h ASN 44 N 0.00 0.39 1.10 1.61 -0.26 -0.87 0.11 115.58 117.65 1vsa h ASN 44 Ca 0.00 0.06 -0.16 0.00 -0.56 0.00 0.00 56.30 55.65 1vsa h ASN 44 Cb 0.00 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1vsa h ASN 44 CO 0.00 0.10 -0.75 1.88 -1.06 0.00 0.00 177.43 177.60 1vsa h TYR 45 N 0.35 0.00 0.44 1.19 0.99 0.45 0.94 116.97 121.33 1vsa h TYR 45 Ca 0.55 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.26 1vsa h TYR 45 Cb 1.48 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.22 1vsa h TYR 45 CO -0.00 0.75 -0.21 0.00 -0.00 0.00 0.00 178.16 178.70 1vsa h ALA 46 N 1.25 -0.73 -2.57 3.88 0.00 0.26 0.30 119.26 121.65 1vsa h ALA 46 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1vsa h ALA 46 Cb 1.50 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1vsa h ALA 46 CO 0.10 -0.69 0.00 0.98 0.00 0.00 0.00 179.25 179.64 1vsa n TYR 47 N -4.44 0.00 -0.21 0.00 9.36 -0.58 -2.95 117.16 118.33 1vsa n TYR 47 Ca -0.07 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.10 1vsa n TYR 47 Cb 0.23 -0.07 -0.04 0.00 -0.63 0.00 0.00 39.34 38.82 1vsa n TYR 47 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1vsa n ALA 48 N -0.89 -0.30 0.00 2.98 0.00 0.33 0.69 120.51 123.31 1vsa n ALA 48 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1vsa n ALA 48 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1vsa n ALA 48 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vsa n HIS 49 N -4.65 0.00 0.19 0.00 8.25 0.11 -0.15 115.22 118.97 1vsa n HIS 49 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1vsa n HIS 49 Cb 0.14 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 1vsa n HIS 49 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1vsa h ARG 50 N 0.00 -0.53 0.00 -0.41 2.43 2.26 0.76 114.38 118.90 1vsa h ARG 50 Ca 0.00 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1vsa h ARG 50 Cb 0.00 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1vsa h ARG 50 CO 0.00 -0.29 -0.07 0.87 -1.51 0.00 0.00 179.97 178.97 1vsa h LYS 51 N -1.09 0.00 0.88 0.20 1.79 -0.70 -2.57 116.57 115.07 1vsa h LYS 51 Ca -0.06 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1vsa h LYS 51 Cb 0.49 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1vsa h LYS 51 CO 0.09 0.07 -0.43 0.00 -1.08 0.00 0.00 179.45 178.11 1vsa h ARG 52 N 0.00 -1.15 -0.88 3.15 2.47 -1.37 0.21 114.38 116.81 1vsa h ARG 52 Ca -0.00 0.08 0.16 0.00 -1.26 0.00 0.00 59.98 58.96 1vsa h ARG 52 Cb 0.13 0.26 -0.10 0.00 -1.65 0.00 0.00 29.97 28.61 1vsa h ARG 52 CO 0.01 -0.76 0.47 0.07 0.56 0.00 0.00 179.97 180.31 1vsa h ARG 53 N -1.19 0.62 0.09 0.04 0.11 0.89 -0.49 114.38 114.45 1vsa h ARG 53 Ca -0.12 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 59.92 1vsa h ARG 53 Cb 0.91 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1vsa h ARG 53 CO 0.19 0.41 -0.04 0.87 0.10 0.00 0.00 179.97 181.50 1vsa h LYS 54 N 0.63 -0.12 -0.27 0.08 1.57 -1.49 -2.90 116.57 114.08 1vsa h LYS 54 Ca 0.49 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.36 1vsa h LYS 54 Cb 0.73 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1vsa h LYS 54 CO -0.38 0.36 0.65 0.00 -0.57 0.00 0.00 179.45 179.51 1vsa h ARG 55 N -0.66 0.00 0.00 3.15 3.08 0.07 -2.29 114.38 117.74 1vsa h ARG 55 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1vsa h ARG 55 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1vsa h ARG 55 CO 0.02 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.45 1vsa n ASP 56 N -3.07 0.00 -0.35 7.04 -0.08 -0.29 -3.93 116.55 115.87 1vsa n ASP 56 Ca 0.05 0.05 0.34 0.00 -1.51 0.00 0.00 54.79 53.72 1vsa n ASP 56 Cb 0.76 0.00 0.52 0.00 2.34 0.00 0.00 41.12 44.74 1vsa n ASP 56 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1vsa n PHE 57 N -0.37 0.00 0.00 -0.67 3.01 -1.14 -2.50 117.46 115.79 1vsa n PHE 57 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1vsa n PHE 57 Cb 0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 1vsa n PHE 57 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1vsa n ARG 58 N -3.32 0.00 -0.28 -1.08 1.74 -0.87 -2.89 116.66 109.96 1vsa n ARG 58 Ca 0.28 0.00 0.25 0.00 -0.77 0.00 0.00 57.85 57.62 1vsa n ARG 58 Cb 1.58 -0.58 0.60 0.00 -1.02 0.00 0.00 32.46 33.03 1vsa n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vsa h ARG 59 N 0.00 0.24 -0.96 5.56 3.08 -1.67 0.36 114.38 121.00 1vsa h ARG 59 Ca 0.00 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.25 1vsa h ARG 59 Cb 0.00 -0.05 -0.18 0.00 0.08 0.00 0.00 29.97 29.82 1vsa h ARG 59 CO 0.00 0.16 -0.16 1.25 -1.07 0.00 0.00 179.97 180.15 1vsa h LEU 60 N 0.25 -0.76 0.55 3.04 6.46 -1.54 1.37 115.31 124.67 1vsa h LEU 60 Ca 0.53 0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 58.56 1vsa h LEU 60 Cb 1.62 0.56 -0.02 0.00 -0.73 0.00 0.00 40.66 42.09 1vsa h LEU 60 CO -0.16 -0.32 -0.48 -0.50 -0.62 0.00 0.00 178.44 176.36 1vsa h TRP 61 N 0.01 -1.31 0.00 1.25 6.55 -0.13 -3.27 115.95 119.04 1vsa h TRP 61 Ca 0.49 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.34 1vsa h TRP 61 Cb 0.84 0.50 0.00 0.00 -0.86 0.00 0.00 29.16 29.64 1vsa h TRP 61 CO -0.67 -0.66 0.00 -0.89 -1.05 0.00 0.00 178.44 175.18 1vsa n ILE 62 N -5.37 0.00 0.01 1.49 5.41 0.47 -2.63 119.36 118.74 1vsa n ILE 62 Ca -0.12 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.61 1vsa n ILE 62 Cb 0.45 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.37 1vsa n ILE 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1vsa h VAL 63 N 0.00 0.00 -0.93 1.39 2.07 -1.58 -2.85 116.25 114.34 1vsa h VAL 63 Ca 0.00 -0.46 0.27 0.00 0.82 0.00 0.00 66.70 67.33 1vsa h VAL 63 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 1vsa h VAL 63 CO 0.00 0.00 0.67 0.54 0.02 0.00 0.00 177.57 178.80 1vsa n ARG 64 N -3.54 -0.00 0.20 1.57 5.12 -1.08 0.40 116.66 119.33 1vsa n ARG 64 Ca -0.01 0.53 -0.08 0.00 -1.93 0.00 0.00 57.85 56.35 1vsa n ARG 64 Cb 0.04 -1.21 -0.04 0.00 -1.16 0.00 0.00 32.46 30.09 1vsa n ARG 64 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1vsa h ILE 65 N 0.00 0.00 -0.51 0.55 2.04 -1.53 -3.04 117.51 115.02 1vsa h ILE 65 Ca 0.45 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 66.17 1vsa h ILE 65 Cb 1.79 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1vsa h ILE 65 CO -0.02 0.00 0.35 -1.13 0.00 0.00 0.00 178.15 177.34 1vsa h ASN 66 N -0.78 0.26 0.00 1.72 -1.24 0.79 -2.61 115.58 113.72 1vsa h ASN 66 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1vsa h ASN 66 Cb 0.42 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1vsa h ASN 66 CO 0.09 0.16 0.00 0.00 -1.29 0.00 0.00 177.43 176.39 1vsa n ALA 67 N -2.54 0.00 1.61 1.57 0.00 0.29 -2.65 120.51 118.79 1vsa n ALA 67 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.67 1vsa n ALA 67 Cb 0.37 0.18 0.72 0.00 0.00 0.00 0.00 19.45 20.73 1vsa n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa n ALA 68 N -1.12 2.68 0.22 0.00 0.00 -1.18 -3.07 120.51 118.04 1vsa n ALA 68 Ca 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.28 1vsa n ALA 68 Cb 0.00 -1.39 0.42 0.00 0.00 0.00 0.00 19.45 18.49 1vsa n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa h ARG 70 N 0.00 0.00 0.69 0.00 3.08 -1.42 -1.20 114.38 115.53 1vsa h ARG 70 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1vsa h ARG 70 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.85 1vsa h ARG 70 CO 0.03 0.00 -0.33 0.37 -1.07 0.00 0.00 179.97 178.97 1vsa h GLN 71 N 0.00 -0.90 0.00 0.04 4.15 -0.88 -2.46 115.11 115.06 1vsa h GLN 71 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1vsa h GLN 71 Cb 0.74 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1vsa h GLN 71 CO 0.00 -0.57 0.00 0.45 -1.93 0.00 0.00 178.83 176.78 1vsa h HIS 72 N -1.16 0.00 0.00 3.99 3.86 -1.46 -3.47 115.15 116.91 1vsa h HIS 72 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1vsa h HIS 72 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1vsa h HIS 72 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1vsa n GLY 73 N -0.41 2.22 3.20 2.45 0.00 -0.48 -5.11 105.19 107.06 1vsa n GLY 73 Ca 0.01 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1vsa n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1vsa n LEU 74 N 0.00 -3.06 -3.80 0.99 -0.00 -1.07 -4.11 117.00 105.95 1vsa n LEU 74 Ca 0.00 0.20 -0.13 0.00 -0.00 0.00 0.00 56.01 56.08 1vsa n LEU 74 Cb 0.00 -0.94 -0.12 0.00 -0.00 0.00 0.00 43.42 42.36 1vsa n LEU 74 CO 0.00 -4.50 -0.15 0.20 -0.00 0.00 0.00 177.39 172.94 1vsa s ASN 75 N -1.50 -0.20 0.00 1.45 0.01 -1.26 -3.04 114.94 110.40 1vsa s ASN 75 Ca 0.48 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 53.02 1vsa s ASN 75 Cb -0.16 0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.89 1vsa s ASN 75 CO 0.74 -0.07 0.00 0.00 -1.51 0.00 0.00 177.10 176.25 1vsa n TYR 76 N 3.04 0.00 0.00 2.20 9.36 -1.26 -2.85 117.16 127.65 1vsa n TYR 76 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 1vsa n TYR 76 Cb 0.58 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 1vsa n TYR 76 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1vsa n SER 77 N 0.00 0.00 -0.24 2.98 3.41 -1.26 0.50 113.62 119.01 1vsa n SER 77 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1vsa n SER 77 Cb 0.00 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.46 1vsa n SER 77 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1vsa h THR 78 N 0.00 0.69 0.08 6.66 1.35 -2.01 -1.81 112.91 117.87 1vsa h THR 78 Ca 0.00 -0.14 0.02 0.00 -0.55 0.00 0.00 66.41 65.74 1vsa h THR 78 Cb 0.00 0.24 -0.05 0.00 -1.73 0.00 0.00 68.15 66.61 1vsa h THR 78 CO 0.00 0.08 -0.41 0.15 -0.25 0.00 0.00 175.52 175.09 1vsa h PHE 79 N 0.41 -1.14 -0.93 4.73 -0.00 1.19 0.77 116.94 121.97 1vsa h PHE 79 Ca 0.46 0.03 0.27 0.00 -0.00 0.00 0.00 57.97 58.74 1vsa h PHE 79 Cb 1.14 0.49 -0.15 0.00 -0.00 0.00 0.00 35.95 37.44 1vsa h PHE 79 CO -0.00 -0.50 0.36 0.82 -0.00 0.00 0.00 178.31 178.99 1vsa h ILE 80 N -0.61 0.29 -0.35 1.41 1.08 -1.24 0.73 117.51 118.81 1vsa h ILE 80 Ca 0.03 -0.08 0.08 0.00 -0.39 0.00 0.00 64.86 64.49 1vsa h ILE 80 Cb 0.66 0.03 -0.08 0.00 -3.07 0.00 0.00 36.82 34.35 1vsa h ILE 80 CO -0.26 0.04 -0.25 -0.74 -0.69 0.00 0.00 178.15 176.25 1vsa h HIS 81 N 0.24 -0.66 -1.67 1.37 2.76 0.63 0.41 115.15 118.22 1vsa h HIS 81 Ca 0.63 0.05 0.50 0.00 -2.20 0.00 0.00 60.37 59.35 1vsa h HIS 81 Cb 1.35 0.34 -0.09 0.00 1.55 0.00 0.00 27.41 30.57 1vsa h HIS 81 CO -0.17 -0.32 1.18 0.41 -1.30 0.00 0.00 177.93 177.72 1vsa n GLY 82 N -1.39 -0.87 0.09 5.26 0.00 0.25 0.22 105.19 108.76 1vsa n GLY 82 Ca 0.01 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.54 1vsa n GLY 82 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vsa h LEU 83 N 0.00 0.19 0.65 0.99 5.85 -0.10 -3.19 115.31 119.70 1vsa h LEU 83 Ca 0.85 -0.62 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1vsa h LEU 83 Cb 3.24 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 44.22 1vsa h LEU 83 CO -0.11 0.78 -0.31 0.11 -0.34 0.00 0.00 178.44 178.57 1vsa h LYS 84 N -0.38 -0.84 0.00 1.25 6.56 0.29 -1.43 116.57 122.02 1vsa h LYS 84 Ca -0.00 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1vsa h LYS 84 Cb 0.76 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1vsa h LYS 84 CO 0.03 -0.54 0.22 -0.22 -2.06 0.00 0.00 179.45 176.88 1vsa h LYS 85 N -0.91 0.00 0.00 3.15 1.63 -1.46 -3.28 116.57 115.70 1vsa h LYS 85 Ca -0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1vsa h LYS 85 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1vsa h LYS 85 CO 0.15 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.15 1vsa n ALA 86 N -1.88 0.00 0.00 5.00 0.00 -0.55 -4.90 120.51 118.18 1vsa n ALA 86 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1vsa n ALA 86 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1vsa n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 87 N 0.70 0.00 0.07 0.00 0.00 -1.17 -5.10 105.19 99.69 1vsa n GLY 87 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vsa n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vsa n ILE 88 N -0.11 0.00 -3.55 -0.61 -5.35 -1.26 -5.10 119.36 103.38 1vsa n ILE 88 Ca 0.00 -0.04 -0.06 0.00 -0.27 0.00 0.00 62.75 62.38 1vsa n ILE 88 Cb 0.00 0.02 -0.07 0.00 -1.74 0.00 0.00 39.64 37.85 1vsa n ILE 88 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1vsa s GLU 89 N -2.01 0.40 0.04 6.28 8.01 -1.26 -4.16 118.70 125.99 1vsa s GLU 89 Ca 0.01 1.02 -0.02 0.00 0.01 0.00 0.00 54.97 55.98 1vsa s GLU 89 Cb -0.00 0.30 0.01 0.00 -4.31 0.00 0.00 34.13 30.13 1vsa s GLU 89 CO 0.00 -0.35 0.11 0.28 0.01 0.00 0.00 175.26 175.32 1vsa n VAL 90 N 5.40 0.00 0.00 2.63 0.31 -1.26 -5.02 118.33 120.39 1vsa n VAL 90 Ca -0.08 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1vsa n VAL 90 Cb 0.50 0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 1vsa n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1vsa n ASP 91 N -0.91 0.00 -1.64 4.52 4.64 -1.26 -4.89 116.55 117.01 1vsa n ASP 91 Ca -0.01 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.40 1vsa n ASP 91 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.16 1vsa n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1vsa n ARG 92 N 0.00 -0.30 0.00 -0.67 0.63 -1.26 -2.92 116.66 112.13 1vsa n ARG 92 Ca 0.00 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 1vsa n ARG 92 Cb 0.00 -0.43 0.00 0.00 0.45 0.00 0.00 32.46 32.48 1vsa n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1vsa n LYS 93 N 1.19 0.00 -0.04 -0.14 4.01 -1.26 0.89 118.16 122.81 1vsa n LYS 93 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 1vsa n LYS 93 Cb 0.15 -1.03 -0.08 0.00 -0.51 0.00 0.00 35.03 33.55 1vsa n LYS 93 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 1vsa h ASN 94 N 0.00 -0.03 -0.88 4.39 -0.00 -1.94 -3.16 115.58 113.96 1vsa h ASN 94 Ca 0.00 -0.58 0.19 0.00 -0.00 0.00 0.00 56.30 55.91 1vsa h ASN 94 Cb 0.40 0.01 -0.06 0.00 -0.00 0.00 0.00 38.32 38.66 1vsa h ASN 94 CO 0.00 0.73 0.58 -0.07 -0.00 0.00 0.00 177.43 178.67 1vsa h LEU 95 N -0.96 0.39 -0.40 6.14 3.38 0.63 -0.51 115.31 123.98 1vsa h LEU 95 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1vsa h LEU 95 Cb 0.61 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1vsa h LEU 95 CO 0.01 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1vsa n ALA 96 N -2.52 0.61 0.49 1.53 0.00 -1.15 -1.48 120.51 117.99 1vsa n ALA 96 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1vsa n ALA 96 Cb 0.67 -0.47 0.46 0.00 0.00 0.00 0.00 19.45 20.11 1vsa n ALA 96 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vsa n ASP 97 N -0.05 0.63 -3.47 0.00 -0.08 -0.20 -4.28 116.55 109.11 1vsa n ASP 97 Ca 0.00 0.62 -0.36 0.00 -1.51 0.00 0.00 54.79 53.54 1vsa n ASP 97 Cb 0.00 -0.77 -0.05 0.00 2.34 0.00 0.00 41.12 42.64 1vsa n ASP 97 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1vsa n LEU 98 N -2.16 3.95 0.00 -2.67 7.99 -0.55 0.43 117.00 124.00 1vsa n LEU 98 Ca 0.03 -2.73 0.00 0.00 -0.01 0.00 0.00 56.01 53.31 1vsa n LEU 98 Cb 0.29 -1.04 0.00 0.00 -0.11 0.00 0.00 43.42 42.55 1vsa n LEU 98 CO 0.23 -0.24 0.00 0.00 -1.51 0.00 0.00 177.39 175.86 1vsa n ALA 99 N 6.61 0.00 -0.06 -1.18 0.00 -1.26 -4.10 120.51 120.52 1vsa n ALA 99 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 1vsa n ALA 99 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 1vsa n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vsa h VAL 100 N 0.00 1.31 -3.23 0.00 2.07 0.85 -3.40 116.25 113.85 1vsa h VAL 100 Ca 0.00 -1.16 -0.43 0.00 0.82 0.00 0.00 66.70 65.93 1vsa h VAL 100 Cb 0.00 1.70 -0.39 0.00 -1.52 0.00 0.00 31.29 31.07 1vsa h VAL 100 CO 0.00 0.35 -0.75 -0.13 0.02 0.00 0.00 177.57 177.05 1vsa s ARG 101 N -4.55 0.27 -0.43 1.57 0.52 -1.17 -4.94 118.95 110.22 1vsa s ARG 101 Ca -0.14 0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 1vsa s ARG 101 Cb 0.06 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.34 1vsa s ARG 101 CO 0.75 -0.45 0.43 0.39 0.02 0.00 0.00 175.30 176.44 1vsa n GLU 102 N 5.21 -0.98 -0.01 3.54 1.02 -1.26 -4.63 120.64 123.54 1vsa n GLU 102 Ca -0.06 1.22 -0.07 0.00 -0.02 0.00 0.00 57.16 58.23 1vsa n GLU 102 Cb 0.49 -4.20 -0.13 0.00 -0.02 0.00 0.00 31.44 27.58 1vsa n GLU 102 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1vsa h PRO 103 N 0.49 0.00 -0.27 3.49 0.13 -1.78 -3.36 132.00 130.70 1vsa h PRO 103 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1vsa h PRO 103 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1vsa h PRO 103 CO 0.18 0.49 0.76 0.37 -0.23 0.00 0.00 178.00 179.56 1vsa h GLN 104 N 0.00 0.00 -0.88 0.86 4.15 -1.95 7.03 115.11 124.32 1vsa h GLN 104 Ca -0.24 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.34 1vsa h GLN 104 Cb 1.92 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 29.51 1vsa h GLN 104 CO 0.08 0.00 0.46 0.28 -1.93 0.00 0.00 178.83 177.71 1vsa h VAL 105 N 0.00 0.67 -0.21 2.39 2.07 -1.86 0.18 116.25 119.49 1vsa h VAL 105 Ca 0.13 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1vsa h VAL 105 Cb 1.64 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1vsa h VAL 105 CO -0.00 0.11 -0.56 0.15 0.02 0.00 0.00 177.57 177.28 1vsa h PHE 106 N 0.60 0.82 -0.11 1.57 3.57 1.46 -3.34 116.94 121.52 1vsa h PHE 106 Ca 0.50 -0.30 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1vsa h PHE 106 Cb 0.78 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1vsa h PHE 106 CO -0.09 1.06 -0.06 0.00 -2.23 0.00 0.00 178.31 176.99 1vsa n ALA 107 N -2.54 -0.07 -0.32 2.41 0.00 0.62 0.13 120.51 120.75 1vsa n ALA 107 Ca -0.04 0.09 0.21 0.00 0.00 0.00 0.00 53.44 53.70 1vsa n ALA 107 Cb 0.62 0.37 0.42 0.00 0.00 0.00 0.00 19.45 20.86 1vsa n ALA 107 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vsa h GLU 108 N 0.00 0.23 -1.02 0.00 4.39 -1.65 0.57 114.58 117.10 1vsa h GLU 108 Ca 0.02 -0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.96 1vsa h GLU 108 Cb 0.04 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.55 1vsa h GLU 108 CO -0.10 0.15 0.66 -0.07 -1.16 0.00 0.00 179.01 178.49 1vsa h LEU 109 N 0.24 0.46 0.44 1.33 3.38 0.98 1.13 115.31 123.26 1vsa h LEU 109 Ca 0.68 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.71 1vsa h LEU 109 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1vsa h LEU 109 CO -0.66 0.11 -0.21 0.58 0.09 0.00 0.00 178.44 178.35 1vsa h VAL 110 N 0.42 0.00 -1.17 1.22 2.07 0.59 -1.93 116.25 117.45 1vsa h VAL 110 Ca 0.58 -0.04 0.43 0.00 0.82 0.00 0.00 66.70 68.48 1vsa h VAL 110 Cb 1.43 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.04 1vsa h VAL 110 CO -0.29 0.00 0.71 -0.33 0.02 0.00 0.00 177.57 177.68 1vsa h GLU 111 N -0.63 0.06 0.00 1.57 4.39 -0.02 -2.87 114.58 117.08 1vsa h GLU 111 Ca -0.06 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1vsa h GLU 111 Cb 0.45 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1vsa h GLU 111 CO 0.10 0.04 0.00 0.54 -1.16 0.00 0.00 179.01 178.53 1vsa n ARG 112 N -4.97 0.00 0.00 2.33 5.12 0.34 -2.93 116.66 116.55 1vsa n ARG 112 Ca 0.38 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1vsa n ARG 112 Cb 1.36 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.66 1vsa n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vsa n ALA 113 N -3.00 0.00 -0.22 7.54 0.00 -0.76 -0.56 120.51 123.50 1vsa n ALA 113 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1vsa n ALA 113 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1vsa n ALA 113 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vsa n LYS 114 N -0.80 -0.23 0.31 0.00 2.85 -1.10 -1.69 118.16 117.50 1vsa n LYS 114 Ca 0.00 1.06 0.00 0.00 -1.05 0.00 0.00 58.31 58.32 1vsa n LYS 114 Cb 0.00 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 1vsa n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vsa n ALA 115 N -3.20 0.00 0.30 0.58 0.00 0.27 -0.15 120.51 118.31 1vsa n ALA 115 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.63 1vsa n ALA 115 Cb 0.14 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.35 1vsa n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa h ALA 116 N 0.00 1.00 -0.00 0.00 0.00 -1.46 -3.09 119.26 115.71 1vsa h ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vsa h ALA 116 Cb 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1vsa h ALA 116 CO 0.00 0.00 -0.02 1.04 0.00 0.00 0.00 179.25 180.27 1vsa n GLN 117 N -3.01 0.06 0.00 0.00 1.13 0.79 -4.99 117.38 111.36 1vsa n GLN 117 Ca 0.00 -0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 1vsa n GLN 117 Cb 0.26 -1.50 0.26 0.00 0.11 0.00 0.00 30.24 29.36 1vsa n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03