#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n LYS 2 N 0.00 0.00 -0.60 2.12 4.81 -1.20 -3.64 118.16 119.65 1vsa n LYS 2 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1vsa n LYS 2 Cb 0.00 -0.85 0.21 0.00 0.02 0.00 0.00 35.03 34.41 1vsa n LYS 2 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1vsa s VAL 3 N 0.84 2.02 0.37 3.15 1.01 -1.20 -4.21 120.40 122.38 1vsa s VAL 3 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1vsa s VAL 3 Cb 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1vsa s VAL 3 CO 0.00 -0.01 -0.02 -0.63 0.00 0.00 0.00 175.10 174.44 1vsa s ILE 4 N -2.55 1.99 0.04 2.22 1.09 -1.10 -3.19 121.20 119.70 1vsa s ILE 4 Ca 0.68 -2.07 0.07 0.00 -1.10 0.00 0.00 60.65 58.22 1vsa s ILE 4 Cb -0.24 -2.84 -0.03 0.00 -1.06 0.00 0.00 42.46 38.29 1vsa s ILE 4 CO 0.61 -0.08 -0.18 -0.76 -0.10 0.00 0.00 174.94 174.43 1vsa s LEU 5 N -3.64 2.62 0.00 2.97 2.01 -1.19 -0.10 118.68 121.36 1vsa s LEU 5 Ca 0.34 -0.41 0.00 0.00 0.01 0.00 0.00 54.13 54.07 1vsa s LEU 5 Cb 0.07 -1.53 0.00 0.00 0.01 0.00 0.00 46.19 44.74 1vsa s LEU 5 CO 0.17 0.26 0.90 -0.11 1.01 0.00 0.00 176.35 178.58 1vsa n LEU 6 N 1.59 0.00 0.00 1.79 0.00 -1.17 -2.92 117.00 116.30 1vsa n LEU 6 Ca -0.16 0.90 0.00 0.00 0.00 0.00 0.00 56.01 56.75 1vsa n LEU 6 Cb 0.52 -0.40 0.00 0.00 0.00 0.00 0.00 43.42 43.54 1vsa n LEU 6 CO 0.27 -0.40 -0.18 -1.84 0.00 0.00 0.00 177.39 175.24 1vsa n GLU 7 N -1.70 0.00 0.00 1.96 0.28 -1.26 -3.76 120.64 116.16 1vsa n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1vsa n GLU 7 Cb 0.00 -0.27 0.00 0.00 1.43 0.00 0.00 31.44 32.60 1vsa n GLU 7 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1vsa n PRO 8 N -2.53 2.90 0.00 3.44 -0.04 -1.26 -3.42 135.00 134.09 1vsa n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1vsa n PRO 8 Cb 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1vsa n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1vsa n LEU 9 N 0.00 0.00 -0.00 1.53 7.94 -1.26 0.81 117.00 126.02 1vsa n LEU 9 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1vsa n LEU 9 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1vsa n LEU 9 CO 0.00 0.00 0.34 -0.33 -1.11 0.00 0.00 177.39 176.29 1vsa h GLU 10 N 0.00 0.65 0.00 1.96 4.39 -2.03 -3.46 114.58 116.09 1vsa h GLU 10 Ca 0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1vsa h GLU 10 Cb 0.00 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1vsa h GLU 10 CO 0.00 1.12 0.00 -1.71 -1.16 0.00 0.00 179.01 177.26 1vsa n ASN 11 N -3.91 0.00 -2.99 1.42 2.85 -1.26 -5.07 115.26 106.29 1vsa n ASN 11 Ca -0.06 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.27 1vsa n ASN 11 Cb 0.71 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.71 1vsa n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1vsa n LEU 12 N 0.00 -1.80 0.12 1.20 -0.00 -1.23 -4.36 117.00 110.93 1vsa n LEU 12 Ca 0.00 -3.77 0.06 0.00 -0.00 0.00 0.00 56.01 52.30 1vsa n LEU 12 Cb 0.00 0.71 0.31 0.00 -0.00 0.00 0.00 43.42 44.44 1vsa n LEU 12 CO 0.00 1.97 0.73 0.61 -0.00 0.00 0.00 177.39 180.70 1vsa n GLY 13 N 2.15 -0.60 0.07 1.47 0.00 0.24 -3.38 105.19 105.15 1vsa n GLY 13 Ca 0.18 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1vsa n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vsa n ASP 14 N -1.91 0.00 -1.16 1.61 3.85 -1.15 -1.37 116.55 116.42 1vsa n ASP 14 Ca -0.01 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.15 1vsa n ASP 14 Cb 0.23 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.28 1vsa n ASP 14 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1vsa n VAL 15 N -0.17 2.09 -0.88 2.12 3.14 -1.22 -4.83 118.33 118.58 1vsa n VAL 15 Ca 0.00 -1.53 0.00 0.00 -2.96 0.00 0.00 64.34 59.85 1vsa n VAL 15 Cb 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 1vsa n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vsa n GLY 16 N 0.15 0.98 3.55 7.55 0.00 -0.59 -5.01 105.19 111.82 1vsa n GLY 16 Ca 0.22 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1vsa n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vsa s GLN 17 N -1.75 2.64 -0.58 1.61 -1.52 -0.47 -4.91 119.66 114.68 1vsa s GLN 17 Ca 0.00 0.51 -0.08 0.00 -1.95 0.00 0.00 55.36 53.84 1vsa s GLN 17 Cb 0.00 -4.43 0.15 0.00 -0.22 0.00 0.00 33.01 28.51 1vsa s GLN 17 CO 0.00 -2.76 0.45 0.08 -0.25 0.00 0.00 175.29 172.81 1vsa s VAL 18 N 9.03 4.30 -0.38 1.09 1.01 -1.26 -3.07 120.40 131.11 1vsa s VAL 18 Ca 0.66 -2.26 0.11 0.00 0.00 0.00 0.00 61.98 60.49 1vsa s VAL 18 Cb -0.12 -3.79 0.44 0.00 0.00 0.00 0.00 36.38 32.92 1vsa s VAL 18 CO 0.19 -0.85 1.05 0.52 0.00 0.00 0.00 175.10 176.01 1vsa n VAL 19 N 4.32 1.77 -0.31 2.92 0.31 -1.19 -4.91 118.33 121.24 1vsa n VAL 19 Ca 0.01 -4.05 0.00 0.00 -0.01 0.00 0.00 64.34 60.28 1vsa n VAL 19 Cb 0.41 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 1vsa n VAL 19 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1vsa n ASP 20 N -0.33 -0.04 -2.69 4.52 8.00 -1.26 -4.67 116.55 120.09 1vsa n ASP 20 Ca 0.26 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.56 1vsa n ASP 20 Cb 0.75 -1.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.17 1vsa n ASP 20 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1vsa n VAL 21 N -0.87 0.00 -0.48 2.53 0.24 -1.24 -3.22 118.33 115.29 1vsa n VAL 21 Ca 0.00 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.34 62.10 1vsa n VAL 21 Cb 0.00 -0.17 0.07 0.00 -1.47 0.00 0.00 33.84 32.27 1vsa n VAL 21 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1vsa n LYS 22 N 4.30 0.17 0.00 7.34 2.85 -1.25 -2.94 118.16 128.63 1vsa n LYS 22 Ca 0.40 -0.34 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1vsa n LYS 22 Cb 0.05 -1.02 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1vsa n LYS 22 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1vsa n PRO 23 N 0.26 3.54 0.00 -1.58 -0.04 -1.26 -4.00 135.00 131.92 1vsa n PRO 23 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1vsa n PRO 23 Cb 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 1vsa n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsa n GLY 24 N 5.00 1.18 0.00 0.55 0.00 -1.26 -4.79 105.19 105.87 1vsa n GLY 24 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1vsa n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vsa n TYR 25 N 0.00 0.00 0.00 1.61 4.01 -1.26 -2.74 117.16 118.78 1vsa n TYR 25 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1vsa n TYR 25 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1vsa n TYR 25 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vsa n ALA 26 N -0.12 -0.11 -0.67 -0.72 0.00 -1.26 0.11 120.51 117.73 1vsa n ALA 26 Ca 0.00 0.00 0.52 0.00 0.00 0.00 0.00 53.44 53.96 1vsa n ALA 26 Cb 0.00 0.25 0.81 0.00 0.00 0.00 0.00 19.45 20.52 1vsa n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa h ARG 27 N 0.00 0.00 -0.11 0.00 -0.00 -1.91 1.29 114.38 113.65 1vsa h ARG 27 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1vsa h ARG 27 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1vsa h ARG 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.97 180.24 1vsa n ASN 28 N -4.01 2.10 0.00 7.04 0.23 -1.07 -4.45 115.26 115.11 1vsa n ASN 28 Ca 0.43 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 1vsa n ASN 28 Cb 1.95 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 39.57 1vsa n ASN 28 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vsa n TYR 29 N 0.10 -0.05 -0.06 -2.53 9.36 0.38 -4.87 117.16 119.49 1vsa n TYR 29 Ca 0.05 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.50 1vsa n TYR 29 Cb 0.27 0.01 0.71 0.00 -0.63 0.00 0.00 39.34 39.69 1vsa n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1vsa h LEU 30 N 0.00 0.00 0.00 2.98 3.38 -1.24 -2.50 115.31 117.93 1vsa h LEU 30 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1vsa h LEU 30 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1vsa h LEU 30 CO 0.00 0.00 -0.46 0.25 0.09 0.00 0.00 178.44 178.32 1vsa h LEU 31 N 0.00 0.00 -1.63 1.67 7.12 -0.00 0.52 115.31 122.99 1vsa h LEU 31 Ca 0.31 -0.23 0.49 0.00 0.13 0.00 0.00 57.88 58.59 1vsa h LEU 31 Cb 1.28 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.32 1vsa h LEU 31 CO -0.00 0.87 1.14 -2.65 -0.13 0.00 0.00 178.44 177.67 1vsa n PRO 32 N -4.62 -0.01 -0.03 5.25 -0.02 -1.06 0.35 135.00 134.86 1vsa n PRO 32 Ca -0.11 1.03 0.04 0.00 -2.02 0.00 0.00 63.50 62.44 1vsa n PRO 32 Cb 0.31 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 1vsa n PRO 32 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1vsa n ARG 33 N -3.98 0.66 -1.02 -0.52 -4.01 -0.97 -5.07 116.66 101.76 1vsa n ARG 33 Ca 0.39 -0.10 0.00 0.00 -1.04 0.00 0.00 57.85 57.11 1vsa n ARG 33 Cb 1.71 -1.55 0.00 0.00 -3.04 0.00 0.00 32.46 29.57 1vsa n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1vsa n GLY 34 N 1.42 -4.27 0.00 2.89 0.00 1.07 -5.07 105.19 101.23 1vsa n GLY 34 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1vsa n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vsa n LEU 35 N 0.41 0.00 -3.93 0.99 -0.00 -1.15 -4.91 117.00 108.41 1vsa n LEU 35 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 1vsa n LEU 35 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1vsa n LEU 35 CO 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 177.39 177.22 1vsa s ALA 36 N 0.00 0.02 -1.19 1.96 0.00 -1.26 -3.01 121.76 118.27 1vsa s ALA 36 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1vsa s ALA 36 Cb 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 23.12 23.50 1vsa s ALA 36 CO 0.00 -0.47 2.34 0.28 0.00 0.00 0.00 175.76 177.91 1vsa n VAL 37 N -0.02 3.04 0.00 0.00 0.31 0.86 -4.52 118.33 118.01 1vsa n VAL 37 Ca -0.14 -2.08 0.00 0.00 -0.01 0.00 0.00 64.34 62.11 1vsa n VAL 37 Cb 0.62 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 1vsa n VAL 37 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vsa n LEU 38 N 4.97 0.00 0.00 7.52 4.32 -1.26 -2.71 117.00 129.85 1vsa n LEU 38 Ca 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 1vsa n LEU 38 Cb 0.26 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1vsa n LEU 38 CO 0.85 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 177.02 1vsa n ALA 39 N -1.98 0.00 -0.85 -1.18 0.00 -1.26 -4.53 120.51 110.70 1vsa n ALA 39 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1vsa n ALA 39 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1vsa n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1vsa n THR 40 N 0.00 0.00 -0.03 0.00 5.66 -1.26 -4.82 114.28 113.83 1vsa n THR 40 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1vsa n THR 40 Cb 0.00 -0.27 -0.02 0.00 -1.55 0.00 0.00 70.33 68.49 1vsa n THR 40 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1vsa h GLU 41 N 3.36 -0.04 -0.05 1.09 9.09 -1.98 -0.56 114.58 125.49 1vsa h GLU 41 Ca -0.18 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.25 1vsa h GLU 41 Cb 0.74 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1vsa h GLU 41 CO 0.54 0.08 0.06 0.77 0.05 0.00 0.00 179.01 180.52 1vsa h SER 42 N -1.01 0.00 1.46 3.06 0.02 -2.00 2.73 113.55 117.82 1vsa h SER 42 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vsa h SER 42 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1vsa h SER 42 CO 0.01 0.00 -0.14 0.78 -1.14 0.00 0.00 176.83 176.33 1vsa h ASN 43 N 0.00 0.00 0.33 3.07 -0.26 -1.93 -2.74 115.58 114.04 1vsa h ASN 43 Ca 0.02 -0.04 -0.17 0.00 -0.56 0.00 0.00 56.30 55.55 1vsa h ASN 43 Cb 0.14 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1vsa h ASN 43 CO -0.00 0.02 -0.71 0.25 -1.06 0.00 0.00 177.43 175.93 1vsa h LEU 44 N 0.00 0.39 -0.60 1.61 7.12 0.64 -2.92 115.31 121.55 1vsa h LEU 44 Ca 0.00 -0.25 0.04 0.00 0.13 0.00 0.00 57.88 57.79 1vsa h LEU 44 Cb 0.80 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.77 1vsa h LEU 44 CO 0.00 0.98 0.35 0.11 -0.13 0.00 0.00 178.44 179.74 1vsa h LYS 45 N 0.23 0.65 0.00 1.25 1.79 -0.45 -1.18 116.57 118.85 1vsa h LYS 45 Ca -0.02 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1vsa h LYS 45 Cb 1.27 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1vsa h LYS 45 CO 0.12 0.43 0.00 0.00 -1.08 0.00 0.00 179.45 178.92 1vsa n ALA 46 N -2.31 2.08 -0.04 3.86 0.00 -1.17 -2.82 120.51 120.11 1vsa n ALA 46 Ca 0.06 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1vsa n ALA 46 Cb 0.11 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 1vsa n ALA 46 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1vsa n LEU 47 N -1.38 1.52 -1.82 0.00 -0.00 -0.50 -4.00 117.00 110.81 1vsa n LEU 47 Ca 0.08 0.22 0.04 0.00 -0.00 0.00 0.00 56.01 56.35 1vsa n LEU 47 Cb 0.21 -0.30 0.35 0.00 -0.00 0.00 0.00 43.42 43.68 1vsa n LEU 47 CO 0.18 0.61 0.86 1.21 -0.00 0.00 0.00 177.39 180.26 1vsa n GLU 48 N -3.16 4.35 -0.02 1.47 2.13 -0.85 -2.72 120.64 121.85 1vsa n GLU 48 Ca -0.27 -2.88 0.03 0.00 0.66 0.00 0.00 57.16 54.69 1vsa n GLU 48 Cb 1.06 -2.20 -0.10 0.00 0.27 0.00 0.00 31.44 30.48 1vsa n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vsa n ALA 49 N 0.41 2.23 -0.05 4.31 0.00 -1.13 -4.29 120.51 122.01 1vsa n ALA 49 Ca 0.28 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 1vsa n ALA 49 Cb 1.17 -0.30 -0.14 0.00 0.00 0.00 0.00 19.45 20.17 1vsa n ALA 49 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1vsa n ARG 50 N -2.10 0.67 -0.21 0.00 1.85 -1.24 -2.86 116.66 112.76 1vsa n ARG 50 Ca -0.08 0.20 0.15 0.00 -1.00 0.00 0.00 57.85 57.13 1vsa n ARG 50 Cb 0.51 -1.69 0.47 0.00 -1.05 0.00 0.00 32.46 30.70 1vsa n ARG 50 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 1vsa h ILE 51 N 0.01 0.78 0.00 8.89 2.04 -1.74 -2.65 117.51 124.84 1vsa h ILE 51 Ca -0.40 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 1vsa h ILE 51 Cb 2.07 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1vsa h ILE 51 CO 0.06 0.09 -0.18 0.03 0.00 0.00 0.00 178.15 178.15 1vsa h ARG 52 N 0.49 0.00 -1.19 2.37 2.47 -1.75 -3.07 114.38 113.71 1vsa h ARG 52 Ca 0.42 0.00 0.34 0.00 -1.26 0.00 0.00 59.98 59.48 1vsa h ARG 52 Cb 0.89 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.17 1vsa h ARG 52 CO -0.16 0.91 1.22 0.00 0.56 0.00 0.00 179.97 182.50 1vsa h ALA 53 N -0.16 3.11 0.17 0.04 0.00 -1.34 5.52 119.26 126.61 1vsa h ALA 53 Ca -0.05 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1vsa h ALA 53 Cb 0.96 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1vsa h ALA 53 CO -0.03 -1.83 -1.52 0.37 0.00 0.00 0.00 179.25 176.24 1vsa h GLN 54 N 0.00 0.36 -0.11 0.00 4.15 -1.53 -3.11 115.11 114.87 1vsa h GLN 54 Ca 0.56 -0.62 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1vsa h GLN 54 Cb 3.00 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 30.92 1vsa h GLN 54 CO -0.01 1.26 -0.04 0.00 -1.93 0.00 0.00 178.83 178.11 1vsa h ALA 55 N 0.34 0.15 0.57 3.38 0.00 1.11 0.70 119.26 125.52 1vsa h ALA 55 Ca -0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1vsa h ALA 55 Cb 2.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1vsa h ALA 55 CO 0.20 -0.08 -0.44 1.57 0.00 0.00 0.00 179.25 180.51 1vsa h LYS 56 N -0.12 -0.95 0.00 0.00 2.10 -0.75 -1.84 116.57 115.01 1vsa h LYS 56 Ca 0.03 0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.71 1vsa h LYS 56 Cb 0.49 0.22 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1vsa h LYS 56 CO 0.01 -0.63 -0.13 0.00 -2.00 0.00 0.00 179.45 176.70 1vsa h ARG 57 N -0.98 0.00 -0.78 0.07 -0.00 -1.63 -2.46 114.38 108.60 1vsa h ARG 57 Ca -0.07 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.51 1vsa h ARG 57 Cb 0.83 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.74 1vsa h ARG 57 CO 0.01 0.13 0.51 1.25 0.00 0.00 0.00 179.97 181.88 1vsa h LEU 58 N 0.00 0.63 0.04 3.04 6.46 0.12 -1.14 115.31 124.46 1vsa h LEU 58 Ca -0.00 0.02 -0.25 0.00 -0.12 0.00 0.00 57.88 57.53 1vsa h LEU 58 Cb 0.40 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1vsa h LEU 58 CO 0.02 0.37 -1.25 0.00 -0.62 0.00 0.00 178.44 176.95 1vsa h ALA 59 N 1.61 0.38 0.00 1.25 0.00 -0.96 -2.86 119.26 118.68 1vsa h ALA 59 Ca 0.36 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1vsa h ALA 59 Cb 0.47 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1vsa h ALA 59 CO -0.14 1.26 0.00 0.39 0.00 0.00 0.00 179.25 180.76 1vsa n GLU 60 N -3.33 0.06 0.06 0.00 -0.58 -0.45 -1.67 120.64 114.72 1vsa n GLU 60 Ca -0.07 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1vsa n GLU 60 Cb 0.99 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 1vsa n GLU 60 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1vsa n ARG 61 N -1.22 0.00 0.09 3.49 1.85 -1.11 -3.91 116.66 115.85 1vsa n ARG 61 Ca 0.02 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.97 1vsa n ARG 61 Cb 0.02 -0.41 0.44 0.00 -1.05 0.00 0.00 32.46 31.46 1vsa n ARG 61 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1vsa n LYS 62 N -3.39 0.14 0.00 2.89 3.00 -1.08 -2.83 118.16 116.89 1vsa n LYS 62 Ca 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1vsa n LYS 62 Cb 0.08 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.34 1vsa n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vsa n ALA 63 N -1.69 1.93 -0.21 3.14 0.00 -0.67 -4.61 120.51 118.39 1vsa n ALA 63 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 1vsa n ALA 63 Cb 0.22 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.80 1vsa n ALA 63 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1vsa h GLU 64 N 0.00 1.02 -0.81 0.00 4.57 -1.36 -2.60 114.58 115.39 1vsa h GLU 64 Ca 0.00 -0.19 0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1vsa h GLU 64 Cb 0.00 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.38 1vsa h GLU 64 CO 0.00 0.86 0.53 0.00 -1.18 0.00 0.00 179.01 179.22 1vsa h ALA 65 N 1.26 1.62 -0.25 2.92 0.00 -1.78 0.17 119.26 123.21 1vsa h ALA 65 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1vsa h ALA 65 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vsa h ALA 65 CO -0.01 0.25 0.03 0.93 0.00 0.00 0.00 179.25 180.44 1vsa h GLU 66 N 0.88 0.36 0.00 0.00 4.39 -1.73 1.11 114.58 119.58 1vsa h GLU 66 Ca 0.35 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1vsa h GLU 66 Cb 0.25 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1vsa h GLU 66 CO -0.13 0.36 0.20 -0.09 -1.16 0.00 0.00 179.01 178.20 1vsa h ARG 67 N 0.35 0.00 0.00 2.33 2.43 -0.50 -2.61 114.38 116.38 1vsa h ARG 67 Ca 0.08 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.02 1vsa h ARG 67 Cb 0.19 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1vsa h ARG 67 CO 0.00 0.00 -1.83 1.28 -1.51 0.00 0.00 179.97 177.91 1vsa n LEU 68 N -2.73 2.34 -0.76 3.80 4.77 0.23 -3.95 117.00 120.68 1vsa n LEU 68 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1vsa n LEU 68 Cb 0.25 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1vsa n LEU 68 CO 0.13 0.60 0.20 1.17 -1.33 0.00 0.00 177.39 178.16 1vsa n LYS 69 N -3.18 0.52 0.00 3.23 4.81 0.32 0.96 118.16 124.82 1vsa n LYS 69 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.17 1vsa n LYS 69 Cb 0.75 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.55 1vsa n LYS 69 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1vsa n GLU 70 N 0.50 0.00 0.08 1.64 0.00 -1.14 -4.68 120.64 117.05 1vsa n GLU 70 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 1vsa n GLU 70 Cb 0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 31.44 31.33 1vsa n GLU 70 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1vsa h ILE 71 N 0.00 1.34 0.00 6.31 6.09 -1.57 -3.33 117.51 126.34 1vsa h ILE 71 Ca 0.00 -2.94 -0.12 0.00 -1.37 0.00 0.00 64.86 60.43 1vsa h ILE 71 Cb 0.00 2.65 -0.02 0.00 0.47 0.00 0.00 36.82 39.92 1vsa h ILE 71 CO 0.00 0.76 -0.73 -0.07 -3.07 0.00 0.00 178.15 175.04 1vsa h LEU 72 N 0.00 0.00 -0.95 2.19 3.38 0.33 -3.39 115.31 116.87 1vsa h LEU 72 Ca -0.04 -0.50 0.14 0.00 0.09 0.00 0.00 57.88 57.58 1vsa h LEU 72 Cb 1.66 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.26 1vsa h LEU 72 CO 0.10 1.17 -0.37 -0.62 0.09 0.00 0.00 178.44 178.81 1vsa n GLU 73 N -4.53 -0.23 0.00 1.13 -0.58 -1.25 -1.35 120.64 113.83 1vsa n GLU 73 Ca -0.20 1.46 0.00 0.00 -0.42 0.00 0.00 57.16 58.00 1vsa n GLU 73 Cb 0.51 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1vsa n GLU 73 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1vsa n ASN 74 N -5.39 0.00 0.00 1.62 6.94 -1.25 -4.31 115.26 112.87 1vsa n ASN 74 Ca 0.09 -0.69 0.00 0.00 -0.02 0.00 0.00 54.58 53.96 1vsa n ASN 74 Cb 0.38 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1vsa n ASN 74 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1vsa n LEU 75 N 1.68 0.00 -4.78 -4.53 0.00 -0.46 -5.10 117.00 103.82 1vsa n LEU 75 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.78 1vsa n LEU 75 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.37 1vsa n LEU 75 CO 0.00 0.00 -0.21 -0.89 0.00 0.00 0.00 177.39 176.29 1vsa s THR 76 N 0.00 4.26 0.30 1.96 2.01 -1.26 -4.93 115.64 117.97 1vsa s THR 76 Ca 0.00 -1.42 -0.03 0.00 0.31 0.00 0.00 61.69 60.54 1vsa s THR 76 Cb 0.00 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1vsa s THR 76 CO 0.00 -0.30 0.54 -0.22 -0.69 0.00 0.00 174.62 173.96 1vsa s LEU 77 N -3.63 4.05 -0.28 4.42 1.98 -1.16 -4.96 118.68 119.11 1vsa s LEU 77 Ca 0.32 0.63 -0.24 0.00 -2.89 0.00 0.00 54.13 51.95 1vsa s LEU 77 Cb -0.08 -3.46 0.10 0.00 0.66 0.00 0.00 46.19 43.41 1vsa s LEU 77 CO 0.23 -0.21 0.86 0.42 -1.89 0.00 0.00 176.35 175.76 1vsa s THR 78 N -2.13 0.00 -0.02 3.68 -4.23 -1.25 0.08 115.64 111.78 1vsa s THR 78 Ca 0.43 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.84 1vsa s THR 78 Cb -0.10 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.75 1vsa s THR 78 CO 0.32 0.00 0.22 -0.63 -0.54 0.00 0.00 174.62 173.98 1vsa s ILE 79 N 0.40 0.06 0.72 2.99 1.01 -1.03 -4.80 121.20 120.55 1vsa s ILE 79 Ca 0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 1vsa s ILE 79 Cb -0.05 -0.48 -0.07 0.00 0.01 0.00 0.00 42.46 41.87 1vsa s ILE 79 CO -0.04 -0.27 0.25 -0.81 0.00 0.00 0.00 174.94 174.08 1vsa n PRO 80 N 1.68 0.20 0.00 2.79 -0.04 -1.14 0.69 135.00 139.17 1vsa n PRO 80 Ca -0.20 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1vsa n PRO 80 Cb 0.56 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1vsa n PRO 80 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1vsa n VAL 81 N -2.25 0.00 0.00 0.52 0.24 0.72 -4.69 118.33 112.87 1vsa n VAL 81 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1vsa n VAL 81 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1vsa n VAL 81 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1vsa n ARG 82 N 0.00 0.00 0.00 7.34 0.63 -1.26 -4.65 116.66 118.72 1vsa n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1vsa n ARG 82 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1vsa n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vsa n ALA 83 N 0.00 0.00 -1.92 5.13 0.00 -1.26 -4.76 120.51 117.70 1vsa n ALA 83 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1vsa n ALA 83 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1vsa n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 84 N 0.00 5.06 0.00 0.00 0.00 -1.26 -4.48 105.19 104.51 1vsa n GLY 84 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1vsa n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsa n GLU 85 N 2.12 0.00 0.00 1.61 1.02 -1.26 -5.05 120.64 119.07 1vsa n GLU 85 Ca 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1vsa n GLU 85 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 1vsa n GLU 85 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1vsa n THR 86 N -0.68 0.00 0.00 2.62 5.66 -1.26 -5.01 114.28 115.61 1vsa n THR 86 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1vsa n THR 86 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1vsa n THR 86 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1vsa n LYS 87 N 0.00 0.06 0.00 1.09 2.85 -1.26 -1.48 118.16 119.42 1vsa n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vsa n LYS 87 Cb 0.02 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 1vsa n LYS 87 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1vsa n ILE 88 N 0.00 0.00 0.07 0.58 3.06 -1.26 -4.65 119.36 117.16 1vsa n ILE 88 Ca 0.00 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.21 1vsa n ILE 88 Cb 0.00 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.10 1vsa n ILE 88 CO 0.00 0.00 0.00 0.10 -2.50 0.00 0.00 176.55 174.15 1vsa h TYR 89 N 0.00 0.00 -0.06 9.51 -0.00 -1.96 -3.46 116.97 121.01 1vsa h TYR 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1vsa h TYR 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1vsa h TYR 89 CO 0.00 0.83 0.00 0.41 -0.00 0.00 0.00 178.16 179.40 1vsa n GLY 90 N 1.34 0.98 0.00 0.10 0.00 -1.26 -5.11 105.19 101.24 1vsa n GLY 90 Ca -0.02 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1vsa n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsa n SER 91 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.05 113.62 112.33 1vsa n SER 91 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1vsa n SER 91 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1vsa n SER 91 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1vsa n VAL 92 N 0.00 0.00 0.00 -3.33 0.24 -1.26 -4.88 118.33 109.10 1vsa n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vsa n VAL 92 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vsa n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1vsa n THR 93 N 0.00 0.00 0.00 3.34 -2.24 -1.26 -3.22 114.28 110.90 1vsa n THR 93 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vsa n THR 93 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vsa n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsa n ALA 94 N 0.00 0.00 -0.31 6.98 0.00 -1.26 0.12 120.51 126.04 1vsa n ALA 94 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1vsa n ALA 94 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.79 1vsa n ALA 94 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1vsa h LYS 95 N 0.00 0.32 0.00 0.00 6.56 -1.99 1.05 116.57 122.52 1vsa h LYS 95 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1vsa h LYS 95 Cb 0.00 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1vsa h LYS 95 CO 0.00 0.21 0.00 -0.44 -2.06 0.00 0.00 179.45 177.16 1vsa h ASP 96 N 0.33 0.00 0.33 0.86 5.19 0.49 -2.60 116.42 121.02 1vsa h ASP 96 Ca 0.60 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.68 1vsa h ASP 96 Cb 1.21 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 1vsa h ASP 96 CO -0.58 0.00 -1.88 2.30 -3.12 0.00 0.00 179.24 175.96 1vsa n ILE 97 N -2.31 1.63 0.30 0.35 -0.00 0.36 -2.90 119.36 116.80 1vsa n ILE 97 Ca 0.00 -0.76 0.20 0.00 -0.00 0.00 0.00 62.75 62.20 1vsa n ILE 97 Cb 0.14 -1.18 1.05 0.00 -0.00 0.00 0.00 39.64 39.65 1vsa n ILE 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1vsa h ALA 98 N 0.72 1.00 0.02 -1.28 0.00 -1.14 0.67 119.26 119.25 1vsa h ALA 98 Ca -0.36 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1vsa h ALA 98 Cb 2.04 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.84 1vsa h ALA 98 CO 0.07 0.00 -0.67 0.93 0.00 0.00 0.00 179.25 179.58 1vsa h GLU 99 N 0.00 0.42 -0.38 0.00 3.07 -1.54 0.77 114.58 116.93 1vsa h GLU 99 Ca 0.00 -0.48 0.08 0.00 -0.50 0.00 0.00 59.36 58.46 1vsa h GLU 99 Cb 0.05 0.14 -0.09 0.00 -0.84 0.00 0.00 28.75 28.02 1vsa h GLU 99 CO 0.00 1.14 -0.25 0.00 -1.40 0.00 0.00 179.01 178.50 1vsa h ALA 100 N 0.30 -0.04 0.31 3.43 0.00 0.33 0.26 119.26 123.85 1vsa h ALA 100 Ca -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1vsa h ALA 100 Cb 1.39 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1vsa h ALA 100 CO 0.13 -0.64 -0.15 -0.07 0.00 0.00 0.00 179.25 178.52 1vsa h LEU 101 N -0.20 -0.36 0.00 0.00 -0.00 -0.73 0.73 115.31 114.76 1vsa h LEU 101 Ca 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1vsa h LEU 101 Cb 0.48 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1vsa h LEU 101 CO -0.49 -0.19 0.00 -1.20 -0.00 0.00 0.00 178.44 176.56 1vsa n SER 102 N -5.24 0.00 0.00 -0.43 7.64 0.27 0.27 113.62 116.13 1vsa n SER 102 Ca -0.10 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1vsa n SER 102 Cb 0.21 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1vsa n SER 102 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1vsa n ARG 103 N -1.25 0.00 0.21 1.43 -4.01 0.80 -4.63 116.66 109.21 1vsa n ARG 103 Ca 0.02 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 56.95 1vsa n ARG 103 Cb 0.03 -0.07 0.17 0.00 -3.04 0.00 0.00 32.46 29.54 1vsa n ARG 103 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 1vsa h GLN 104 N 0.00 0.00 0.00 2.89 4.15 0.32 -3.38 115.11 119.09 1vsa h GLN 104 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1vsa h GLN 104 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1vsa h GLN 104 CO 0.00 0.00 -0.76 0.72 -1.93 0.00 0.00 178.83 176.86 1vsa n HIS 105 N -3.08 0.00 0.00 3.99 8.25 0.69 -4.97 115.22 120.11 1vsa n HIS 105 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1vsa n HIS 105 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1vsa n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vsa n GLY 106 N 2.91 0.64 0.00 -1.41 0.00 0.24 -5.04 105.19 102.53 1vsa n GLY 106 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1vsa n GLY 106 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1vsa n ILE 107 N 0.00 0.00 -2.27 -0.61 3.06 0.75 -4.93 119.36 115.36 1vsa n ILE 107 Ca 0.00 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.88 1vsa n ILE 107 Cb 0.00 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.17 1vsa n ILE 107 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1vsa s THR 108 N 0.00 3.15 0.00 9.51 2.01 -1.26 -2.08 115.64 126.97 1vsa s THR 108 Ca 0.00 0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1vsa s THR 108 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1vsa s THR 108 CO 0.00 -0.05 0.00 2.30 -0.69 0.00 0.00 174.62 176.18 1vsa n ILE 109 N -0.66 0.00 -3.21 1.82 -0.00 -1.26 -4.90 119.36 111.15 1vsa n ILE 109 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.54 1vsa n ILE 109 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.07 1vsa n ILE 109 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1vsa n ASP 110 N 0.00 4.34 -2.61 7.28 -0.08 -1.26 -4.96 116.55 119.26 1vsa n ASP 110 Ca 0.00 -3.53 0.00 0.00 -1.51 0.00 0.00 54.79 49.75 1vsa n ASP 110 Cb 0.00 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 42.76 1vsa n ASP 110 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1vsa n PRO 111 N 0.50 0.00 0.01 -0.67 -0.02 -1.26 -3.15 135.00 130.41 1vsa n PRO 111 Ca 0.31 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1vsa n PRO 111 Cb 0.39 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1vsa n PRO 111 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vsa n LYS 112 N 3.25 0.00 0.00 -0.52 4.01 -1.26 -4.71 118.16 118.93 1vsa n LYS 112 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1vsa n LYS 112 Cb 0.00 -0.20 0.00 0.00 -0.51 0.00 0.00 35.03 34.32 1vsa n LYS 112 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1vsa n ARG 113 N -2.74 0.22 0.00 1.97 1.74 -1.19 -4.74 116.66 111.93 1vsa n ARG 113 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1vsa n ARG 113 Cb 0.19 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1vsa n ARG 113 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1vsa n LEU 114 N 0.69 0.00 -0.05 0.55 -0.00 -1.26 -1.80 117.00 115.13 1vsa n LEU 114 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vsa n LEU 114 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1vsa n LEU 114 CO 0.00 -0.65 0.23 0.00 -0.00 0.00 0.00 177.39 176.97 1vsa n ALA 115 N -3.00 1.09 -2.04 1.47 0.00 -1.14 -3.28 120.51 113.62 1vsa n ALA 115 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 1vsa n ALA 115 Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 1vsa n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1vsa s LEU 116 N 0.00 4.27 0.00 0.00 2.96 -1.26 -4.84 118.68 119.80 1vsa s LEU 116 Ca 0.00 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.39 1vsa s LEU 116 Cb 0.00 -3.81 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1vsa s LEU 116 CO 0.00 -0.05 0.00 -1.84 -1.32 0.00 0.00 176.35 173.14 1vsa n GLU 117 N 0.41 0.00 -3.21 1.98 0.28 -1.26 -5.06 120.64 113.78 1vsa n GLU 117 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 1vsa n GLU 117 Cb 0.51 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.31 1vsa n GLU 117 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1vsa n LYS 118 N 0.00 0.66 -1.03 3.44 0.00 -1.26 -5.13 118.16 114.84 1vsa n LYS 118 Ca 0.00 -3.22 -0.34 0.00 -0.00 0.00 0.00 58.31 54.75 1vsa n LYS 118 Cb 0.11 -1.27 0.02 0.00 -0.00 0.00 0.00 35.03 33.89 1vsa n LYS 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1vsa n PRO 119 N 1.56 0.00 -0.48 -1.58 -0.04 -1.26 -4.96 135.00 128.25 1vsa n PRO 119 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1vsa n PRO 119 Cb 0.52 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 1vsa n PRO 119 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1vsa n ILE 120 N -1.61 0.00 0.00 0.52 3.06 -1.20 -4.92 119.36 115.21 1vsa n ILE 120 Ca 0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 1vsa n ILE 120 Cb 0.44 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.62 1vsa n ILE 120 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1vsa n LYS 121 N 0.00 0.00 0.00 9.51 4.01 -1.26 -4.30 118.16 126.12 1vsa n LYS 121 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1vsa n LYS 121 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1vsa n LYS 121 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1vsa n GLU 122 N 0.00 0.00 -0.03 1.97 2.13 -0.55 -4.20 120.64 119.97 1vsa n GLU 122 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1vsa n GLU 122 Cb 0.00 0.00 0.63 0.00 0.27 0.00 0.00 31.44 32.34 1vsa n GLU 122 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1vsa h LEU 123 N 0.00 0.12 0.00 4.31 -0.00 -1.95 -3.41 115.31 114.38 1vsa h LEU 123 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1vsa h LEU 123 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1vsa h LEU 123 CO 0.00 0.07 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 1vsa n GLY 124 N -1.60 1.84 0.00 0.83 0.00 -1.26 -3.97 105.19 101.02 1vsa n GLY 124 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1vsa n GLY 124 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1vsa n GLU 125 N 0.00 1.31 0.00 1.61 0.00 -0.98 -0.44 120.64 122.14 1vsa n GLU 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1vsa n GLU 125 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1vsa n GLU 125 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1vsa n TYR 126 N 0.00 0.00 -1.85 -1.84 9.36 -1.03 -4.21 117.16 117.59 1vsa n TYR 126 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 1vsa n TYR 126 Cb 0.00 -0.13 0.04 0.00 -0.63 0.00 0.00 39.34 38.61 1vsa n TYR 126 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1vsa s VAL 127 N -3.07 3.46 0.00 2.97 -7.23 -1.26 -3.01 120.40 112.26 1vsa s VAL 127 Ca 0.00 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 1vsa s VAL 127 Cb 0.00 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.74 1vsa s VAL 127 CO 0.00 -0.42 0.00 0.18 -0.31 0.00 0.00 175.10 174.55 1vsa n LEU 128 N -2.31 0.00 -3.57 1.32 4.77 -1.16 -4.87 117.00 111.17 1vsa n LEU 128 Ca 0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 1vsa n LEU 128 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1vsa n LEU 128 CO 0.48 0.00 0.85 -0.89 -1.33 0.00 0.00 177.39 176.49 1vsa s THR 129 N -1.03 0.00 -0.11 -5.08 2.01 -0.57 -4.27 115.64 106.58 1vsa s THR 129 Ca 0.00 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 1vsa s THR 129 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.56 1vsa s THR 129 CO 0.00 0.00 0.24 -0.47 -0.69 0.00 0.00 174.62 173.70 1vsa s TYR 130 N -1.93 -0.34 -0.58 4.92 5.04 -1.21 -2.90 117.35 120.35 1vsa s TYR 130 Ca 0.04 0.83 0.04 0.00 -2.44 0.00 0.00 57.07 55.54 1vsa s TYR 130 Cb -0.01 -0.03 0.15 0.00 0.35 0.00 0.00 41.96 42.42 1vsa s TYR 130 CO -0.04 -0.29 0.37 0.21 -1.34 0.00 0.00 175.55 174.46 1vsa s LYS 131 N 1.89 1.98 0.03 4.97 2.47 -0.85 0.81 119.74 131.03 1vsa s LYS 131 Ca -0.03 -2.80 -0.29 0.00 -1.56 0.00 0.00 55.97 51.29 1vsa s LYS 131 Cb -0.11 -3.03 -0.16 0.00 -1.46 0.00 0.00 37.83 33.06 1vsa s LYS 131 CO -0.08 -1.22 1.24 -1.35 0.16 0.00 0.00 175.35 174.09 1vsa h PRO 132 N 5.97 -0.98 -6.73 4.03 0.11 -1.55 -3.41 132.00 129.44 1vsa h PRO 132 Ca 0.06 0.07 -0.67 0.00 0.11 0.00 0.00 66.00 65.57 1vsa h PRO 132 Cb 0.84 0.22 -0.20 0.00 0.11 0.00 0.00 31.00 31.97 1vsa h PRO 132 CO 0.64 -0.64 -0.83 -3.38 -0.21 0.00 0.00 178.00 173.57 1vsa s HIS 133 N -5.02 2.36 0.00 0.65 -3.43 -1.15 -4.84 115.29 103.85 1vsa s HIS 133 Ca -0.16 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 53.76 1vsa s HIS 133 Cb 0.02 -1.22 0.00 0.00 -1.43 0.00 0.00 32.58 29.95 1vsa s HIS 133 CO 0.48 0.42 0.30 -2.30 -2.00 0.00 0.00 174.74 171.64 1vsa n PRO 134 N 0.57 0.00 -0.18 -0.38 -0.02 -1.26 -2.84 135.00 130.90 1vsa n PRO 134 Ca -0.15 0.14 0.17 0.00 -2.02 0.00 0.00 63.50 61.65 1vsa n PRO 134 Cb 0.54 -0.80 0.32 0.00 -0.02 0.00 0.00 33.50 33.55 1vsa n PRO 134 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1vsa n GLU 135 N -0.44 -0.03 -4.14 -0.52 4.07 -1.26 -4.19 120.64 114.12 1vsa n GLU 135 Ca 0.00 0.78 -0.18 0.00 -0.06 0.00 0.00 57.16 57.70 1vsa n GLU 135 Cb 0.00 -1.39 -0.15 0.00 -0.06 0.00 0.00 31.44 29.84 1vsa n GLU 135 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1vsa s VAL 136 N -4.89 0.44 0.00 6.31 1.01 -1.13 -5.14 120.40 117.00 1vsa s VAL 136 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1vsa s VAL 136 Cb 0.19 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1vsa s VAL 136 CO 0.44 0.16 0.00 -0.81 0.00 0.00 0.00 175.10 174.89 1vsa n PRO 137 N 3.51 0.00 0.00 2.72 -0.04 -1.25 -2.95 135.00 136.99 1vsa n PRO 137 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1vsa n PRO 137 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1vsa n PRO 137 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1vsa n ILE 138 N 0.00 0.00 -1.49 0.52 0.13 0.24 -4.38 119.36 114.38 1vsa n ILE 138 Ca 0.00 0.00 -0.55 0.00 -1.10 0.00 0.00 62.75 61.10 1vsa n ILE 138 Cb 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 39.64 38.72 1vsa n ILE 138 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1vsa n GLN 139 N 0.00 0.90 -4.53 9.51 3.00 -0.70 -3.29 117.38 122.27 1vsa n GLN 139 Ca 0.00 0.28 -0.26 0.00 -0.01 0.00 0.00 57.00 57.01 1vsa n GLN 139 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 30.24 27.97 1vsa n GLN 139 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1vsa s LEU 140 N 5.91 2.79 0.00 1.08 2.96 -1.26 -4.63 118.68 125.52 1vsa s LEU 140 Ca 1.08 -1.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1vsa s LEU 140 Cb -1.04 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1vsa s LEU 140 CO 0.57 -0.25 0.18 0.29 -1.32 0.00 0.00 176.35 175.83 1vsa n LYS 141 N -0.84 0.51 -3.67 1.98 5.02 -1.26 -1.51 118.16 118.38 1vsa n LYS 141 Ca -0.05 -3.06 -0.08 0.00 -2.02 0.00 0.00 58.31 53.10 1vsa n LYS 141 Cb 0.64 2.01 -0.02 0.00 -0.02 0.00 0.00 35.03 37.64 1vsa n LYS 141 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vsa s VAL 142 N -3.05 0.00 0.02 -0.18 1.01 -1.16 -3.00 120.40 114.04 1vsa s VAL 142 Ca 0.26 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1vsa s VAL 142 Cb 0.01 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1vsa s VAL 142 CO 0.18 0.00 -0.11 -0.55 0.00 0.00 0.00 175.10 174.62 1vsa s SER 143 N -2.83 1.28 0.03 3.32 0.15 0.11 -2.33 113.70 113.44 1vsa s SER 143 Ca 0.07 -0.36 -0.30 0.00 0.70 0.00 0.00 55.95 56.06 1vsa s SER 143 Cb -0.03 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1vsa s SER 143 CO -0.02 0.02 1.09 -0.69 1.20 0.00 0.00 173.24 174.84 1vsa s VAL 144 N -0.70 4.46 -0.83 4.45 1.01 0.42 -2.47 120.40 126.73 1vsa s VAL 144 Ca 0.00 1.77 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 1vsa s VAL 144 Cb -0.07 -4.13 0.17 0.00 0.00 0.00 0.00 36.38 32.35 1vsa s VAL 144 CO 0.01 0.14 0.89 -0.69 0.00 0.00 0.00 175.10 175.44 1vsa s VAL 145 N 1.04 5.20 0.19 2.92 1.01 0.22 -4.59 120.40 126.38 1vsa s VAL 145 Ca 0.55 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 1vsa s VAL 145 Cb -0.25 -4.58 -0.08 0.00 0.00 0.00 0.00 36.38 31.47 1vsa s VAL 145 CO 0.29 -1.21 1.08 0.00 0.00 0.00 0.00 175.10 175.25 1vsa s ALA 146 N 1.39 3.36 0.00 5.51 0.00 -1.26 -0.20 121.76 130.56 1vsa s ALA 146 Ca 0.22 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1vsa s ALA 146 Cb -0.10 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1vsa s ALA 146 CO -0.07 -0.16 0.00 0.94 0.00 0.00 0.00 175.76 176.47 1vsa n GLN 147 N 2.18 0.00 -0.97 0.00 -0.06 -1.26 -4.86 117.38 112.41 1vsa n GLN 147 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1vsa n GLN 147 Cb 0.46 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.64 1vsa n GLN 147 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25