#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa s ILE 2 N 0.00 5.13 -0.29 3.17 1.09 -1.20 -4.81 121.20 124.29 1vsa s ILE 2 Ca 0.00 0.90 -0.04 0.00 -1.10 0.00 0.00 60.65 60.40 1vsa s ILE 2 Cb 0.00 -3.77 0.16 0.00 -1.06 0.00 0.00 42.46 37.79 1vsa s ILE 2 CO 0.00 0.41 0.59 -1.58 -0.10 0.00 0.00 174.94 174.26 1vsa s GLN 3 N 0.05 0.54 -0.63 2.79 -0.44 -1.26 -3.06 119.66 117.65 1vsa s GLN 3 Ca 0.25 1.11 -0.27 0.00 -2.50 0.00 0.00 55.36 53.95 1vsa s GLN 3 Cb -0.16 0.56 -0.11 0.00 -1.64 0.00 0.00 33.01 31.66 1vsa s GLN 3 CO 0.11 -0.47 2.48 -0.35 0.50 0.00 0.00 175.29 177.56 1vsa n PRO 4 N 5.43 0.76 0.00 1.67 -0.04 -1.26 -3.02 135.00 138.54 1vsa n PRO 4 Ca -0.05 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1vsa n PRO 4 Cb 0.50 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 1vsa n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1vsa n GLN 5 N 8.82 0.00 0.00 0.54 -0.06 -0.96 -4.63 117.38 121.10 1vsa n GLN 5 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.45 1vsa n GLN 5 Cb 0.42 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.60 1vsa n GLN 5 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1vsa n THR 6 N 0.00 0.00 -5.01 1.69 -1.04 -1.17 -4.77 114.28 103.99 1vsa n THR 6 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1vsa n THR 6 Cb 0.00 -0.88 -0.16 0.00 -1.82 0.00 0.00 70.33 67.47 1vsa n THR 6 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1vsa s TYR 7 N 1.91 1.95 -0.04 -1.42 4.12 -1.26 -2.50 117.35 120.10 1vsa s TYR 7 Ca 0.00 -0.51 -0.08 0.00 0.02 0.00 0.00 57.07 56.50 1vsa s TYR 7 Cb 0.00 -1.28 0.01 0.00 -1.52 0.00 0.00 41.96 39.17 1vsa s TYR 7 CO 0.00 -0.14 0.20 -0.51 0.02 0.00 0.00 175.55 175.13 1vsa s LEU 8 N -0.18 1.25 -0.21 -1.29 2.01 -0.84 -4.60 118.68 114.82 1vsa s LEU 8 Ca -0.00 0.18 -0.21 0.00 0.01 0.00 0.00 54.13 54.11 1vsa s LEU 8 Cb -0.11 0.79 -0.02 0.00 0.01 0.00 0.00 46.19 46.86 1vsa s LEU 8 CO 0.02 -0.22 0.64 -0.70 1.01 0.00 0.00 176.35 177.10 1vsa s GLU 9 N -0.57 4.20 -0.66 1.70 2.56 0.50 -2.91 118.70 123.51 1vsa s GLU 9 Ca -0.07 0.63 -0.26 0.00 0.00 0.00 0.00 54.97 55.28 1vsa s GLU 9 Cb -0.04 -3.59 -0.12 0.00 2.00 0.00 0.00 34.13 32.38 1vsa s GLU 9 CO 0.01 -0.28 2.42 1.33 -0.56 0.00 0.00 175.26 178.19 1vsa n VAL 10 N 4.79 -0.04 -0.67 3.70 0.24 -1.17 -2.40 118.33 122.78 1vsa n VAL 10 Ca -0.01 -0.63 0.51 0.00 -2.04 0.00 0.00 64.34 62.17 1vsa n VAL 10 Cb 0.49 -2.28 0.79 0.00 -1.47 0.00 0.00 33.84 31.37 1vsa n VAL 10 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n ALA 11 N 16.73 1.79 -2.95 2.33 0.00 0.27 -4.38 120.51 134.30 1vsa n ALA 11 Ca 0.44 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.55 1vsa n ALA 11 Cb 0.46 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1vsa n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vsa n ASP 12 N -3.99 0.00 0.00 0.00 3.85 -1.26 -3.35 116.55 111.80 1vsa n ASP 12 Ca 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.51 1vsa n ASP 12 Cb 1.92 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.69 1vsa n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1vsa n ASN 13 N 0.00 0.00 -4.07 -1.12 0.23 -1.26 -4.86 115.26 104.18 1vsa n ASN 13 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.70 1vsa n ASN 13 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1vsa n ASN 13 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1vsa s THR 14 N 0.00 3.35 0.00 5.53 2.01 -1.26 -4.68 115.64 120.58 1vsa s THR 14 Ca 0.00 -2.79 0.00 0.00 0.31 0.00 0.00 61.69 59.21 1vsa s THR 14 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1vsa s THR 14 CO 0.00 -0.81 0.00 0.61 -0.69 0.00 0.00 174.62 173.73 1vsa n GLY 15 N 3.71 2.83 3.12 4.40 0.00 -1.11 -3.67 105.19 114.47 1vsa n GLY 15 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1vsa n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa s ALA 16 N -0.74 0.33 -0.02 4.61 0.00 -0.68 -0.76 121.76 124.51 1vsa s ALA 16 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1vsa s ALA 16 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1vsa s ALA 16 CO 0.00 -0.41 0.03 0.54 0.00 0.00 0.00 175.76 175.91 1vsa n ARG 17 N 0.06 2.69 -3.49 0.00 5.12 0.44 -4.24 116.66 117.24 1vsa n ARG 17 Ca -0.14 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1vsa n ARG 17 Cb 0.61 -0.83 -0.04 0.00 -1.16 0.00 0.00 32.46 31.04 1vsa n ARG 17 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1vsa s LYS 18 N -1.67 0.38 0.32 5.56 2.20 -1.16 -3.04 119.74 122.33 1vsa s LYS 18 Ca -0.00 0.91 0.07 0.00 -0.36 0.00 0.00 55.97 56.58 1vsa s LYS 18 Cb 0.01 0.50 -0.03 0.00 -1.51 0.00 0.00 37.83 36.80 1vsa s LYS 18 CO 0.04 -0.12 0.27 0.96 -0.36 0.00 0.00 175.35 176.14 1vsa s ILE 19 N 2.44 0.00 0.44 5.43 -4.36 -1.15 -0.27 121.20 123.74 1vsa s ILE 19 Ca -0.04 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.42 1vsa s ILE 19 Cb -0.07 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.11 1vsa s ILE 19 CO -0.18 0.00 0.22 -0.32 0.24 0.00 0.00 174.94 174.91 1vsa s MET 20 N -3.48 2.26 0.29 0.37 -2.45 -1.16 -2.00 119.30 113.14 1vsa s MET 20 Ca 0.41 -1.89 0.07 0.00 -1.25 0.00 0.00 55.69 53.03 1vsa s MET 20 Cb 0.03 -2.00 -0.03 0.00 1.25 0.00 0.00 34.83 34.07 1vsa s MET 20 CO 0.27 -0.23 0.24 0.00 1.05 0.00 0.00 175.02 176.35 1vsa n ILE 22 N -1.27 0.89 -3.56 0.00 -5.35 -1.15 -2.26 119.36 106.67 1vsa n ILE 22 Ca -0.05 0.29 -0.11 0.00 -0.27 0.00 0.00 62.75 62.61 1vsa n ILE 22 Cb 0.59 -1.45 -0.04 0.00 -1.74 0.00 0.00 39.64 37.00 1vsa n ILE 22 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1vsa s ARG 23 N -1.74 1.13 0.00 6.28 6.06 -1.24 -4.39 118.95 125.06 1vsa s ARG 23 Ca -0.01 -0.57 0.00 0.00 -2.50 0.00 0.00 55.73 52.66 1vsa s ARG 23 Cb 0.00 0.51 0.00 0.00 0.06 0.00 0.00 34.95 35.52 1vsa s ARG 23 CO 0.01 -0.46 0.00 1.55 -2.50 0.00 0.00 175.30 173.91 1vsa n VAL 24 N -0.18 0.00 0.00 7.11 3.14 -1.26 -2.26 118.33 124.88 1vsa n VAL 24 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1vsa n VAL 24 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.42 1vsa n VAL 24 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vsa n LEU 25 N 0.00 0.00 0.00 6.55 -0.00 -1.17 -4.78 117.00 117.60 1vsa n LEU 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vsa n LEU 25 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1vsa n LEU 25 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 1vsa n LYS 26 N 0.00 0.00 0.00 1.47 4.81 -1.26 -3.95 118.16 119.23 1vsa n LYS 26 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vsa n LYS 26 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vsa n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vsa n GLY 27 N 0.00 0.08 0.00 3.14 0.00 -1.26 -5.06 105.19 102.08 1vsa n GLY 27 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vsa n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsa n SER 28 N -1.12 0.00 -0.40 1.61 3.41 -1.25 -4.94 113.62 110.93 1vsa n SER 28 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1vsa n SER 28 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1vsa n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1vsa n ASN 29 N 0.00 0.07 -4.62 4.04 2.04 -1.26 -4.74 115.26 110.78 1vsa n ASN 29 Ca 0.00 -0.17 -0.43 0.00 -0.44 0.00 0.00 54.58 53.54 1vsa n ASN 29 Cb 0.00 -0.03 -0.03 0.00 -2.53 0.00 0.00 39.78 37.19 1vsa n ASN 29 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1vsa s ALA 30 N -1.19 3.08 0.00 -2.53 0.00 -1.26 -4.95 121.76 114.91 1vsa s ALA 30 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1vsa s ALA 30 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1vsa s ALA 30 CO 0.00 -2.27 0.02 1.63 0.00 0.00 0.00 175.76 175.14 1vsa n LYS 31 N 8.14 0.00 0.00 0.00 5.02 -1.26 -5.04 118.16 125.02 1vsa n LYS 31 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1vsa n LYS 31 Cb 0.44 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 1vsa n LYS 31 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1vsa n TYR 32 N -0.17 0.00 -3.60 2.13 4.02 -1.26 -4.96 117.16 113.33 1vsa n TYR 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1vsa n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1vsa n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vsa n ALA 33 N -3.00 0.00 -3.00 -0.72 0.00 -1.17 -4.88 120.51 107.74 1vsa n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vsa n ALA 33 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1vsa n THR 34 N 5.37 0.00 -1.31 0.00 5.66 -1.26 -3.25 114.28 119.48 1vsa n THR 34 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1vsa n THR 34 Cb 0.00 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.87 1vsa n THR 34 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1vsa s VAL 35 N -2.81 3.38 0.00 1.08 1.01 -1.26 -2.91 120.40 118.88 1vsa s VAL 35 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1vsa s VAL 35 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1vsa s VAL 35 CO 0.00 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1vsa n GLY 36 N -1.23 0.84 3.06 4.51 0.00 -1.26 -4.99 105.19 106.12 1vsa n GLY 36 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1vsa n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vsa s ASP 37 N -2.78 4.97 0.45 1.61 1.01 -1.15 -5.02 116.67 115.76 1vsa s ASP 37 Ca 0.00 -2.44 -0.25 0.00 0.71 0.00 0.00 52.55 50.57 1vsa s ASP 37 Cb 0.00 -1.76 -0.08 0.00 1.01 0.00 0.00 42.92 42.10 1vsa s ASP 37 CO 0.00 -0.41 1.32 -0.69 0.21 0.00 0.00 175.17 175.60 1vsa s VAL 38 N 0.53 2.48 0.00 -1.27 1.01 -1.26 -3.77 120.40 118.13 1vsa s VAL 38 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1vsa s VAL 38 Cb -0.22 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1vsa s VAL 38 CO -0.04 0.04 0.00 2.30 0.00 0.00 0.00 175.10 177.40 1vsa n ILE 39 N -0.25 0.00 -3.64 2.22 -0.00 -1.24 -3.04 119.36 113.41 1vsa n ILE 39 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.71 1vsa n ILE 39 Cb 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 40.01 1vsa n ILE 39 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 1vsa s VAL 40 N 1.26 0.00 0.20 7.28 -7.23 -0.96 -3.13 120.40 117.83 1vsa s VAL 40 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.95 1vsa s VAL 40 Cb 0.00 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.99 1vsa s VAL 40 CO 0.00 0.00 0.63 0.00 -0.31 0.00 0.00 175.10 175.42 1vsa s ALA 41 N 0.46 -1.39 -0.04 1.32 0.00 -1.17 -2.92 121.76 118.03 1vsa s ALA 41 Ca 0.00 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 1vsa s ALA 41 Cb -0.05 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1vsa s ALA 41 CO -0.06 -0.87 0.68 -1.54 0.00 0.00 0.00 175.76 173.97 1vsa s SER 42 N -2.82 7.01 0.20 0.00 1.04 -1.04 -2.61 113.70 115.47 1vsa s SER 42 Ca 0.05 1.21 -0.31 0.00 0.48 0.00 0.00 55.95 57.38 1vsa s SER 42 Cb -0.03 -2.41 -0.10 0.00 0.10 0.00 0.00 66.02 63.58 1vsa s SER 42 CO -0.05 -0.04 1.55 -0.69 0.98 0.00 0.00 173.24 175.00 1vsa s VAL 43 N 0.42 2.54 0.00 5.02 1.01 -1.24 -2.96 120.40 125.19 1vsa s VAL 43 Ca 0.36 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1vsa s VAL 43 Cb -0.18 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1vsa s VAL 43 CO 0.18 0.04 0.00 0.29 0.00 0.00 0.00 175.10 175.61 1vsa n LYS 44 N 3.47 0.00 -1.63 2.72 4.76 -1.16 -2.89 118.16 123.44 1vsa n LYS 44 Ca 0.12 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.17 1vsa n LYS 44 Cb 0.38 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.55 1vsa n LYS 44 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1vsa s GLU 45 N 0.63 2.56 -0.36 1.97 2.56 0.63 -4.46 118.70 122.22 1vsa s GLU 45 Ca 0.00 1.57 -0.12 0.00 0.00 0.00 0.00 54.97 56.42 1vsa s GLU 45 Cb 0.00 -4.48 0.01 0.00 2.00 0.00 0.00 34.13 31.66 1vsa s GLU 45 CO 0.00 -2.76 0.23 0.00 -0.56 0.00 0.00 175.26 172.16 1vsa s ALA 46 N 10.37 3.39 -0.70 6.30 0.00 -1.26 0.17 121.76 140.03 1vsa s ALA 46 Ca 0.96 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 1vsa s ALA 46 Cb -0.23 -2.64 0.10 0.00 0.00 0.00 0.00 23.12 20.36 1vsa s ALA 46 CO 0.29 -1.18 0.89 0.42 0.00 0.00 0.00 175.76 176.19 1vsa s ILE 47 N 1.65 4.65 0.00 0.00 -1.09 0.06 -4.89 121.20 121.57 1vsa s ILE 47 Ca 0.04 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1vsa s ILE 47 Cb -0.18 -4.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 1vsa s ILE 47 CO 0.08 -1.33 0.00 -2.65 -1.23 0.00 0.00 174.94 169.82 1vsa n PRO 48 N 6.79 0.00 -0.32 2.79 -0.02 -1.26 -1.98 135.00 141.00 1vsa n PRO 48 Ca 0.00 0.00 0.25 0.00 -2.02 0.00 0.00 63.50 61.73 1vsa n PRO 48 Cb 0.45 0.00 0.39 0.00 -0.02 0.00 0.00 33.50 34.32 1vsa n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1vsa n ARG 49 N 0.00 -0.00 -0.52 -0.52 0.00 -1.26 -1.60 116.66 112.75 1vsa n ARG 49 Ca 0.00 0.55 0.44 0.00 -0.00 0.00 0.00 57.85 58.84 1vsa n ARG 49 Cb 0.00 -1.23 0.67 0.00 -0.00 0.00 0.00 32.46 31.90 1vsa n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsa n GLY 50 N -1.41 -0.90 0.00 2.89 0.00 -0.84 -4.76 105.19 100.17 1vsa n GLY 50 Ca 0.22 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1vsa n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 51 N -2.66 0.00 -2.52 4.61 0.00 -0.63 -2.75 120.51 116.56 1vsa n ALA 51 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1vsa n ALA 51 Cb 1.84 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 21.26 1vsa n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vsa s VAL 52 N 0.00 3.72 0.22 0.00 1.01 -1.24 -4.82 120.40 119.29 1vsa s VAL 52 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1vsa s VAL 52 Cb 0.00 -4.88 0.04 0.00 0.00 0.00 0.00 36.38 31.54 1vsa s VAL 52 CO 0.00 -1.82 0.31 0.29 0.00 0.00 0.00 175.10 173.88 1vsa n LYS 53 N 9.32 0.77 -1.01 2.72 5.02 -1.25 -1.68 118.16 132.05 1vsa n LYS 53 Ca 0.07 -1.13 -0.33 0.00 -2.02 0.00 0.00 58.31 54.90 1vsa n LYS 53 Cb 0.49 -0.12 -0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1vsa n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1vsa n GLU 54 N -1.50 0.00 -0.99 1.97 1.02 -1.26 -1.97 120.64 117.91 1vsa n GLU 54 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1vsa n GLU 54 Cb 0.22 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1vsa n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vsa n GLY 55 N 1.84 0.33 3.09 0.62 0.00 -1.14 -4.82 105.19 105.11 1vsa n GLY 55 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1vsa n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vsa s ASP 56 N -2.04 5.02 0.13 1.61 1.11 -0.83 -4.78 116.67 116.88 1vsa s ASP 56 Ca 0.00 -1.94 -0.27 0.00 0.18 0.00 0.00 52.55 50.52 1vsa s ASP 56 Cb 0.00 -1.74 -0.07 0.00 1.07 0.00 0.00 42.92 42.18 1vsa s ASP 56 CO 0.00 -0.44 0.84 -0.69 1.18 0.00 0.00 175.17 176.06 1vsa s VAL 57 N 1.08 4.47 0.09 -1.27 1.01 -1.15 -3.65 120.40 120.98 1vsa s VAL 57 Ca 0.07 1.82 -0.08 0.00 0.00 0.00 0.00 61.98 63.78 1vsa s VAL 57 Cb -0.21 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1vsa s VAL 57 CO -0.05 0.42 0.18 0.68 0.00 0.00 0.00 175.10 176.33 1vsa s VAL 58 N -0.55 0.14 -0.99 2.92 -7.23 -1.07 -4.76 120.40 108.85 1vsa s VAL 58 Ca 0.40 -1.27 -0.25 0.00 -1.81 0.00 0.00 61.98 59.04 1vsa s VAL 58 Cb -0.23 -1.43 -0.12 0.00 0.56 0.00 0.00 36.38 35.16 1vsa s VAL 58 CO 0.27 -0.64 2.10 -0.75 -0.31 0.00 0.00 175.10 175.77 1vsa s LYS 59 N -3.88 1.96 0.00 4.82 2.36 -1.26 -3.05 119.74 120.70 1vsa s LYS 59 Ca 0.07 -0.35 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 1vsa s LYS 59 Cb 0.05 -5.02 0.00 0.00 -1.05 0.00 0.00 37.83 31.81 1vsa s LYS 59 CO -0.09 -4.32 0.00 0.00 1.55 0.00 0.00 175.35 172.48 1vsa n ALA 60 N 16.65 0.00 -3.63 3.13 0.00 -1.18 -1.43 120.51 134.05 1vsa n ALA 60 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 1vsa n ALA 60 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1vsa n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vsa s VAL 61 N 0.83 0.00 0.90 0.00 0.11 -1.26 -3.66 120.40 117.32 1vsa s VAL 61 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1vsa s VAL 61 Cb 0.00 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.98 1vsa s VAL 61 CO 0.00 0.00 1.13 -0.69 -3.33 0.00 0.00 175.10 172.21 1vsa s VAL 62 N -0.38 2.34 0.00 2.04 1.01 -1.25 -2.93 120.40 121.23 1vsa s VAL 62 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1vsa s VAL 62 Cb -0.03 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1vsa s VAL 62 CO -0.08 -0.14 0.00 1.33 0.00 0.00 0.00 175.10 176.20 1vsa n VAL 63 N -4.12 0.00 0.00 2.92 0.24 -1.12 -4.51 118.33 111.74 1vsa n VAL 63 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1vsa n VAL 63 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1vsa n VAL 63 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1vsa n ARG 64 N -0.24 0.00 0.00 7.34 1.85 -1.26 -3.62 116.66 120.73 1vsa n ARG 64 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1vsa n ARG 64 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1vsa n ARG 64 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1vsa n THR 65 N 0.00 0.00 -0.11 8.89 -2.24 -1.20 -2.59 114.28 117.03 1vsa n THR 65 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1vsa n THR 65 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1vsa n THR 65 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vsa n LYS 66 N 0.00 0.61 0.00 -0.78 4.76 -1.04 -2.68 118.16 119.03 1vsa n LYS 66 Ca 0.00 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1vsa n LYS 66 Cb 0.00 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1vsa n LYS 66 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1vsa n LYS 67 N -4.05 0.00 -3.64 1.97 4.81 -1.26 -3.74 118.16 112.25 1vsa n LYS 67 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 56.92 1vsa n LYS 67 Cb 0.87 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.85 1vsa n LYS 67 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1vsa s GLU 68 N 0.00 0.35 0.00 1.64 0.41 -1.26 -4.60 118.70 115.23 1vsa s GLU 68 Ca 0.00 0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 1vsa s GLU 68 Cb 0.00 0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.51 1vsa s GLU 68 CO 0.00 -0.04 0.00 1.55 -0.49 0.00 0.00 175.26 176.28 1vsa n VAL 69 N 2.14 0.00 -0.28 2.63 3.14 -1.13 -4.90 118.33 119.92 1vsa n VAL 69 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1vsa n VAL 69 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1vsa n VAL 69 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1vsa n LYS 70 N 0.00 -3.16 -4.43 1.45 2.85 -1.26 -4.24 118.16 109.38 1vsa n LYS 70 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1vsa n LYS 70 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 1vsa n LYS 70 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1vsa s ARG 71 N -1.84 1.79 0.05 -1.58 0.52 3.05 -4.65 118.95 116.29 1vsa s ARG 71 Ca 0.00 -2.06 0.01 0.00 -0.52 0.00 0.00 55.73 53.16 1vsa s ARG 71 Cb 0.00 -0.35 0.06 0.00 0.52 0.00 0.00 34.95 35.18 1vsa s ARG 71 CO 0.00 -0.48 0.73 -0.35 0.02 0.00 0.00 175.30 175.22 1vsa n PRO 72 N -0.76 0.01 -3.44 3.54 -0.04 -1.26 -2.70 135.00 130.35 1vsa n PRO 72 Ca -0.02 0.22 -0.20 0.00 -0.04 0.00 0.00 63.50 63.46 1vsa n PRO 72 Cb 0.65 -1.89 -0.11 0.00 -0.04 0.00 0.00 33.50 32.11 1vsa n PRO 72 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1vsa s ASP 73 N -2.44 2.02 0.00 3.54 3.84 -1.26 -5.10 116.67 117.28 1vsa s ASP 73 Ca -0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 52.55 51.77 1vsa s ASP 73 Cb 0.00 0.31 0.00 0.00 -1.38 0.00 0.00 42.92 41.85 1vsa s ASP 73 CO 0.01 -0.39 0.00 0.61 -0.00 0.00 0.00 175.17 175.40 1vsa n GLY 74 N 5.30 1.40 2.28 2.12 0.00 -1.10 -4.71 105.19 110.48 1vsa n GLY 74 Ca -0.03 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1vsa n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vsa n SER 75 N 0.71 -4.07 -4.60 1.61 7.64 -1.26 0.66 113.62 114.30 1vsa n SER 75 Ca 0.00 0.20 -0.29 0.00 1.01 0.00 0.00 58.87 59.79 1vsa n SER 75 Cb 0.00 -2.66 0.20 0.00 -1.01 0.00 0.00 64.21 60.74 1vsa n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vsa s ALA 76 N -2.41 0.54 -0.23 -0.43 0.00 -1.26 -4.18 121.76 113.79 1vsa s ALA 76 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1vsa s ALA 76 Cb 0.00 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.93 1vsa s ALA 76 CO 0.00 -3.18 0.56 -1.50 0.00 0.00 0.00 175.76 171.64 1vsa s ILE 77 N -2.66 -0.09 0.06 0.00 -1.16 -1.26 -4.73 121.20 111.36 1vsa s ILE 77 Ca 0.67 0.05 -0.22 0.00 -0.51 0.00 0.00 60.65 60.63 1vsa s ILE 77 Cb -0.22 -0.82 -0.06 0.00 0.61 0.00 0.00 42.46 41.97 1vsa s ILE 77 CO 0.61 0.02 0.67 -0.60 -2.81 0.00 0.00 174.94 172.82 1vsa s ARG 78 N 1.64 4.38 -0.04 3.50 3.52 -1.26 -2.85 118.95 127.84 1vsa s ARG 78 Ca -0.09 0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 56.40 1vsa s ARG 78 Cb -0.07 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1vsa s ARG 78 CO -0.17 0.46 0.04 -0.59 -0.81 0.00 0.00 175.30 174.23 1vsa s PHE 79 N -0.58 3.23 -0.38 5.12 -0.12 -1.15 -5.02 117.98 119.08 1vsa s PHE 79 Ca 0.33 0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.49 1vsa s PHE 79 Cb -0.20 -1.76 0.70 0.00 -0.63 0.00 0.00 43.02 41.13 1vsa s PHE 79 CO 0.21 0.52 1.83 -0.25 -0.05 0.00 0.00 175.22 177.48 1vsa n ASP 80 N 1.66 4.22 0.00 1.98 9.92 -1.11 -2.90 116.55 130.32 1vsa n ASP 80 Ca -0.16 -3.42 0.00 0.00 -0.53 0.00 0.00 54.79 50.68 1vsa n ASP 80 Cb 0.53 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 1vsa n ASP 80 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1vsa n ASP 81 N -0.65 0.00 -3.65 -2.24 5.75 -1.09 -4.92 116.55 109.75 1vsa n ASP 81 Ca 0.49 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 55.23 1vsa n ASP 81 Cb 1.49 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 41.51 1vsa n ASP 81 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1vsa s ASN 82 N 1.53 -0.25 0.22 -1.12 -0.87 -1.07 -2.51 114.94 110.88 1vsa s ASN 82 Ca 0.00 0.44 -0.12 0.00 -1.57 0.00 0.00 52.86 51.61 1vsa s ASN 82 Cb 0.00 0.73 -0.00 0.00 -0.02 0.00 0.00 41.25 41.95 1vsa s ASN 82 CO 0.00 -0.07 0.42 0.00 -2.57 0.00 0.00 177.10 174.87 1vsa s ALA 83 N 0.58 -0.17 -0.07 0.60 0.00 -1.15 -0.37 121.76 121.17 1vsa s ALA 83 Ca -0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 1vsa s ALA 83 Cb -0.04 1.02 0.11 0.00 0.00 0.00 0.00 23.12 24.22 1vsa s ALA 83 CO -0.12 -0.79 0.99 0.00 0.00 0.00 0.00 175.76 175.85 1vsa s ALA 84 N -4.00 -1.90 0.00 0.00 0.00 -1.01 -2.80 121.76 112.05 1vsa s ALA 84 Ca 0.21 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1vsa s ALA 84 Cb 0.01 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1vsa s ALA 84 CO 0.06 -0.64 0.00 0.28 0.00 0.00 0.00 175.76 175.46 1vsa n VAL 85 N -0.14 0.00 -1.97 0.00 0.31 -1.15 0.94 118.33 116.32 1vsa n VAL 85 Ca -0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1vsa n VAL 85 Cb 0.60 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.53 1vsa n VAL 85 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1vsa n ILE 86 N 0.00 0.00 0.00 2.52 -0.00 -1.24 -4.08 119.36 116.56 1vsa n ILE 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1vsa n ILE 86 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1vsa n ILE 86 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1vsa n ILE 87 N 0.00 0.00 -0.87 1.39 2.08 -0.52 -2.96 119.36 118.48 1vsa n ILE 87 Ca -0.00 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.01 1vsa n ILE 87 Cb 0.49 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.40 1vsa n ILE 87 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1vsa n ASN 88 N 0.00 -4.05 -0.07 4.38 3.02 -1.01 -4.48 115.26 113.05 1vsa n ASN 88 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1vsa n ASN 88 Cb 0.00 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.55 1vsa n ASN 88 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1vsa n ASN 89 N 2.46 -0.09 -4.35 6.41 4.13 -1.26 -1.70 115.26 120.86 1vsa n ASN 89 Ca 0.02 0.31 -0.45 0.00 1.68 0.00 0.00 54.58 56.13 1vsa n ASN 89 Cb 0.42 -0.08 -0.00 0.00 -1.54 0.00 0.00 39.78 38.57 1vsa n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vsa s GLN 90 N -5.20 4.14 0.00 3.52 1.03 -1.26 -4.84 119.66 117.05 1vsa s GLN 90 Ca -0.03 -3.10 0.00 0.00 0.04 0.00 0.00 55.36 52.27 1vsa s GLN 90 Cb 0.04 -4.57 0.00 0.00 0.03 0.00 0.00 33.01 28.51 1vsa s GLN 90 CO 0.13 -1.28 0.00 1.28 -2.54 0.00 0.00 175.29 172.89 1vsa n LEU 91 N 3.01 0.00 -4.06 2.60 7.99 -0.69 -4.59 117.00 121.25 1vsa n LEU 91 Ca 0.23 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.89 1vsa n LEU 91 Cb 0.40 -0.09 -0.09 0.00 -0.11 0.00 0.00 43.42 43.54 1vsa n LEU 91 CO 0.46 0.00 0.18 -0.70 -1.51 0.00 0.00 177.39 175.82 1vsa s GLU 92 N -0.09 2.91 0.35 3.23 2.12 -1.25 -4.53 118.70 121.42 1vsa s GLU 92 Ca 0.00 -3.08 -0.24 0.00 0.36 0.00 0.00 54.97 52.01 1vsa s GLU 92 Cb 0.00 -3.78 -0.15 0.00 0.26 0.00 0.00 34.13 30.46 1vsa s GLU 92 CO 0.00 -1.24 0.48 -0.35 -0.54 0.00 0.00 175.26 173.61 1vsa n PRO 93 N 2.58 0.37 0.00 4.30 -0.04 -1.26 -2.40 135.00 138.56 1vsa n PRO 93 Ca 0.17 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1vsa n PRO 93 Cb 0.37 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1vsa n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1vsa n ARG 94 N 0.90 0.23 -2.56 0.54 3.00 -1.16 -4.40 116.66 113.21 1vsa n ARG 94 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.55 1vsa n ARG 94 Cb 0.35 -1.28 -0.01 0.00 0.00 0.00 0.00 32.46 31.53 1vsa n ARG 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vsa s GLY 95 N 0.28 1.51 0.00 -0.13 0.00 -1.26 -4.77 107.32 102.94 1vsa s GLY 95 Ca 0.00 -2.75 0.29 0.00 0.00 0.00 0.00 44.72 42.25 1vsa s GLY 95 CO 0.00 2.75 2.03 -1.30 0.00 0.00 0.00 173.10 176.58 1vsa n THR 96 N 6.55 0.03 -4.08 0.90 -2.24 -1.26 -4.86 114.28 109.32 1vsa n THR 96 Ca 0.45 0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 62.14 1vsa n THR 96 Cb 0.47 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 1vsa n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1vsa s ARG 97 N -2.15 1.33 0.02 -0.78 1.81 -1.26 -5.04 118.95 112.88 1vsa s ARG 97 Ca 0.39 -1.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 1vsa s ARG 97 Cb 0.20 0.37 -0.00 0.00 -0.45 0.00 0.00 34.95 35.06 1vsa s ARG 97 CO 0.36 -0.50 0.01 1.55 -0.68 0.00 0.00 175.30 176.04 1vsa n VAL 98 N -0.30 0.00 0.00 3.52 3.14 -1.21 -4.05 118.33 119.42 1vsa n VAL 98 Ca -0.01 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1vsa n VAL 98 Cb 0.64 0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.46 1vsa n VAL 98 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1vsa n PHE 99 N -0.03 0.00 -1.99 1.45 3.72 -1.21 -4.69 117.46 114.70 1vsa n PHE 99 Ca -0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 1vsa n PHE 99 Cb 0.02 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.76 1vsa n PHE 99 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1vsa s GLY 100 N 0.00 1.81 0.04 1.37 0.00 -1.26 -4.81 107.32 104.48 1vsa s GLY 100 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1vsa s GLY 100 CO 0.00 -0.54 0.12 2.56 0.00 0.00 0.00 173.10 175.24 1vsa s PRO 101 N -5.90 3.11 0.00 2.90 0.04 -1.26 -4.93 135.00 128.97 1vsa s PRO 101 Ca 0.76 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1vsa s PRO 101 Cb -0.03 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1vsa s PRO 101 CO 0.53 0.61 0.00 1.33 0.04 0.00 0.00 177.00 179.51 1vsa n VAL 102 N 0.65 0.00 -1.56 -0.36 0.24 -1.26 -4.51 118.33 111.53 1vsa n VAL 102 Ca -0.09 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.05 1vsa n VAL 102 Cb 0.52 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.81 1vsa n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n ALA 103 N -3.00 0.42 0.99 2.33 0.00 -0.91 0.64 120.51 120.98 1vsa n ALA 103 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1vsa n ALA 103 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.22 1vsa n ALA 103 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1vsa n ARG 104 N 8.66 0.55 0.05 0.00 0.00 -0.48 -2.74 116.66 122.71 1vsa n ARG 104 Ca 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 58.29 1vsa n ARG 104 Cb 0.42 -1.06 -0.08 0.00 -0.00 0.00 0.00 32.46 31.75 1vsa n ARG 104 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1vsa h GLU 105 N 0.10 0.00 0.00 2.89 4.39 -1.86 -3.29 114.58 116.81 1vsa h GLU 105 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1vsa h GLU 105 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1vsa h GLU 105 CO 0.00 0.53 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.11 1vsa h LEU 106 N 0.00 0.00 -0.60 1.33 4.07 -1.90 -2.97 115.31 115.24 1vsa h LEU 106 Ca -0.12 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.72 1vsa h LEU 106 Cb 1.68 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.40 1vsa h LEU 106 CO 0.08 0.20 -0.11 -0.09 -1.08 0.00 0.00 178.44 177.44 1vsa h ARG 107 N 0.00 0.99 0.00 1.13 2.43 -1.78 -2.41 114.38 114.74 1vsa h ARG 107 Ca -0.00 -0.36 -0.20 0.00 -0.81 0.00 0.00 59.98 58.60 1vsa h ARG 107 Cb 0.76 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1vsa h ARG 107 CO 0.03 1.04 -0.88 0.93 -1.51 0.00 0.00 179.97 179.57 1vsa h GLU 108 N 0.89 0.24 -0.47 0.20 4.39 -1.65 -3.11 114.58 115.06 1vsa h GLU 108 Ca 0.14 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 1vsa h GLU 108 Cb 0.67 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1vsa h GLU 108 CO 0.05 0.98 -0.00 0.87 -1.16 0.00 0.00 179.01 179.74 1vsa h LYS 109 N 0.13 0.78 0.00 2.33 1.79 -1.56 -3.47 116.57 116.58 1vsa h LYS 109 Ca -0.05 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1vsa h LYS 109 Cb 1.51 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1vsa h LYS 109 CO 0.14 0.79 0.00 0.41 -1.08 0.00 0.00 179.45 179.71 1vsa n GLY 110 N -0.64 0.11 2.76 3.86 0.00 -1.09 -5.10 105.19 105.08 1vsa n GLY 110 Ca 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 1vsa n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vsa n PHE 111 N 0.00 0.80 -0.02 1.61 3.72 -0.93 -4.99 117.46 117.65 1vsa n PHE 111 Ca 0.00 -2.31 -0.05 0.00 -0.05 0.00 0.00 57.45 55.04 1vsa n PHE 111 Cb 0.00 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 1vsa n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1vsa h MET 112 N 2.59 -0.16 0.00 -1.08 2.86 -1.83 -2.59 114.93 114.71 1vsa h MET 112 Ca -0.16 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1vsa h MET 112 Cb 1.24 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1vsa h MET 112 CO 0.25 -0.11 0.00 0.36 1.06 0.00 0.00 176.91 178.47 1vsa n LYS 113 N -3.52 0.00 0.00 1.72 2.85 -1.26 -2.66 118.16 115.29 1vsa n LYS 113 Ca -0.02 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1vsa n LYS 113 Cb 0.12 -0.33 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 1vsa n LYS 113 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1vsa n ILE 114 N -1.20 0.00 0.00 0.58 -5.35 -1.11 -2.96 119.36 109.33 1vsa n ILE 114 Ca 0.00 0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.71 1vsa n ILE 114 Cb 0.00 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 36.98 1vsa n ILE 114 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1vsa n VAL 115 N 0.00 0.00 -0.43 7.28 0.31 -0.99 0.66 118.33 125.16 1vsa n VAL 115 Ca 0.00 0.00 0.35 0.00 -0.01 0.00 0.00 64.34 64.68 1vsa n VAL 115 Cb 0.00 0.00 0.65 0.00 -0.91 0.00 0.00 33.84 33.58 1vsa n VAL 115 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1vsa h SER 116 N 0.00 0.24 0.62 4.52 0.87 -1.67 -1.40 113.55 116.73 1vsa h SER 116 Ca 0.00 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1vsa h SER 116 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1vsa h SER 116 CO 0.00 -0.09 -0.32 -0.07 -0.53 0.00 0.00 176.83 175.83 1vsa h LEU 117 N 0.13 -0.76 -8.38 2.23 3.38 0.34 -3.38 115.31 108.88 1vsa h LEU 117 Ca 0.75 0.03 -0.40 0.00 0.09 0.00 0.00 57.88 58.36 1vsa h LEU 117 Cb 2.43 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 43.35 1vsa h LEU 117 CO -0.31 -0.52 1.46 0.00 0.09 0.00 0.00 178.44 179.16 1vsa n ALA 118 N -2.46 0.62 -1.59 1.53 0.00 -0.53 -4.78 120.51 113.31 1vsa n ALA 118 Ca -0.11 -0.84 -0.57 0.00 0.00 0.00 0.00 53.44 51.92 1vsa n ALA 118 Cb 0.34 -2.94 -0.07 0.00 0.00 0.00 0.00 19.45 16.78 1vsa n ALA 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vsa n PRO 119 N 8.62 0.60 -0.61 0.00 -0.04 -1.26 -4.68 135.00 137.63 1vsa n PRO 119 Ca 0.48 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 64.23 1vsa n PRO 119 Cb 0.38 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1vsa n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1vsa n GLU 120 N 2.62 -1.39 -3.69 0.54 4.07 -1.26 -4.40 120.64 117.12 1vsa n GLU 120 Ca 0.21 1.11 -0.09 0.00 -0.06 0.00 0.00 57.16 58.34 1vsa n GLU 120 Cb 0.12 -1.64 -0.02 0.00 -0.06 0.00 0.00 31.44 29.84 1vsa n GLU 120 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1vsa s VAL 121 N -3.25 0.00 0.00 6.31 -7.23 -1.26 -4.37 120.40 110.60 1vsa s VAL 121 Ca 0.00 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1vsa s VAL 121 Cb 0.00 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1vsa s VAL 121 CO 0.00 -0.01 0.00 0.18 -0.31 0.00 0.00 175.10 174.96