#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n ASN 2 N 0.00 0.00 -0.11 7.83 2.85 -1.26 -0.53 115.26 124.05 1vsa n ASN 2 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 1vsa n ASN 2 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 1vsa n ASN 2 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1vsa n ARG 3 N 0.00 0.54 0.00 1.20 5.12 -1.26 -4.86 116.66 117.41 1vsa n ARG 3 Ca 0.00 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 1vsa n ARG 3 Cb 0.00 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 1vsa n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vsa n GLY 4 N 1.42 0.27 0.02 -0.13 0.00 0.31 0.12 105.19 107.20 1vsa n GLY 4 Ca -0.31 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1vsa n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa h ALA 5 N 0.00 -0.57 -0.89 4.61 0.00 -1.90 -0.16 119.26 120.36 1vsa h ALA 5 Ca 0.00 -0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.23 1vsa h ALA 5 Cb 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 1vsa h ALA 5 CO 0.00 -0.57 0.55 -0.11 0.00 0.00 0.00 179.25 179.12 1vsa n LEU 6 N -2.58 0.17 0.05 0.00 0.00 0.31 0.10 117.00 115.06 1vsa n LEU 6 Ca -0.00 1.01 -0.12 0.00 0.00 0.00 0.00 56.01 56.90 1vsa n LEU 6 Cb 0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 43.42 42.89 1vsa n LEU 6 CO 0.01 -1.11 0.63 0.40 0.00 0.00 0.00 177.39 177.32 1vsa h ILE 7 N 0.00 0.27 -1.46 1.96 1.08 -0.90 0.95 117.51 119.42 1vsa h ILE 7 Ca 0.60 0.00 0.44 0.00 -0.39 0.00 0.00 64.86 65.51 1vsa h ILE 7 Cb 1.86 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 35.78 1vsa h ILE 7 CO -0.38 0.00 1.00 0.50 -0.69 0.00 0.00 178.15 178.58 1vsa h LYS 8 N -0.49 0.07 -0.44 2.37 3.64 0.82 4.13 116.57 126.66 1vsa h LYS 8 Ca 0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1vsa h LYS 8 Cb 0.58 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1vsa h LYS 8 CO -0.29 0.05 0.00 1.28 -2.27 0.00 0.00 179.45 178.22 1vsa n LEU 9 N -4.35 2.27 -0.00 5.20 4.77 0.32 -3.63 117.00 121.57 1vsa n LEU 9 Ca 0.36 -1.14 0.10 0.00 -0.03 0.00 0.00 56.01 55.30 1vsa n LEU 9 Cb 1.51 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 42.15 1vsa n LEU 9 CO 0.33 0.51 -0.38 0.52 -1.33 0.00 0.00 177.39 177.03 1vsa n VAL 10 N 0.59 0.00 0.49 4.08 0.31 1.36 -4.31 118.33 120.84 1vsa n VAL 10 Ca 0.13 -0.24 0.06 0.00 -0.01 0.00 0.00 64.34 64.28 1vsa n VAL 10 Cb 0.39 0.53 0.04 0.00 -0.91 0.00 0.00 33.84 33.88 1vsa n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vsa n GLU 11 N -1.85 0.94 0.00 5.55 4.71 -1.17 -4.45 120.64 124.38 1vsa n GLU 11 Ca 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 57.16 56.09 1vsa n GLU 11 Cb 0.44 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.67 1vsa n GLU 11 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1vsa n SER 12 N 0.45 0.58 -0.04 1.62 3.41 -1.25 -0.88 113.62 117.50 1vsa n SER 12 Ca 0.06 -0.51 -0.19 0.00 -0.26 0.00 0.00 58.87 57.97 1vsa n SER 12 Cb 0.28 -0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1vsa n SER 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vsa n ARG 13 N 0.69 0.72 0.09 4.33 5.12 -1.26 -4.22 116.66 122.12 1vsa n ARG 13 Ca 0.00 0.22 0.06 0.00 -1.93 0.00 0.00 57.85 56.20 1vsa n ARG 13 Cb 0.10 -1.66 -0.02 0.00 -1.16 0.00 0.00 32.46 29.73 1vsa n ARG 13 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1vsa h TYR 14 N 0.04 0.00 -4.31 -1.55 -1.99 -1.37 -3.46 116.97 104.33 1vsa h TYR 14 Ca -0.46 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 59.77 1vsa h TYR 14 Cb 2.00 0.00 0.06 0.00 2.00 0.00 0.00 36.73 40.79 1vsa h TYR 14 CO 0.06 0.28 0.40 0.14 -0.00 0.00 0.00 178.16 179.03 1vsa s VAL 15 N -3.14 4.44 0.25 -2.88 -7.23 -1.20 -4.90 120.40 105.75 1vsa s VAL 15 Ca -0.00 0.89 0.01 0.00 -1.81 0.00 0.00 61.98 61.07 1vsa s VAL 15 Cb 0.09 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 1vsa s VAL 15 CO 0.78 -0.94 0.12 -0.13 -0.31 0.00 0.00 175.10 174.63 1vsa s ARG 16 N -4.84 1.37 0.00 4.82 0.52 -1.26 -4.91 118.95 114.66 1vsa s ARG 16 Ca 0.57 -1.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 1vsa s ARG 16 Cb -0.12 -0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.32 1vsa s ARG 16 CO 0.48 -0.36 0.00 -2.37 0.02 0.00 0.00 175.30 173.07 1vsa n THR 17 N -0.42 0.00 0.00 0.02 5.66 -1.26 -4.85 114.28 113.44 1vsa n THR 17 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1vsa n THR 17 Cb 0.66 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1vsa n THR 17 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1vsa n ASP 18 N 0.00 0.00 -4.58 1.09 -0.08 -1.26 -4.89 116.55 106.84 1vsa n ASP 18 Ca 0.00 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.83 1vsa n ASP 18 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1vsa n ASP 18 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1vsa n LEU 19 N 0.00 1.57 -4.48 -2.67 4.77 -1.26 -4.80 117.00 110.14 1vsa n LEU 19 Ca 0.00 1.18 -0.59 0.00 -0.03 0.00 0.00 56.01 56.57 1vsa n LEU 19 Cb 0.00 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 39.73 1vsa n LEU 19 CO 0.00 -1.51 1.56 -2.65 -1.33 0.00 0.00 177.39 173.46 1vsa n PRO 20 N 0.76 0.47 -4.50 3.23 -0.02 -1.26 -5.00 135.00 128.68 1vsa n PRO 20 Ca 0.10 0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 61.41 1vsa n PRO 20 Cb 0.31 -1.84 -0.11 0.00 -0.02 0.00 0.00 33.50 31.85 1vsa n PRO 20 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1vsa s GLU 21 N 5.03 2.48 0.00 -0.52 -1.05 -1.26 -5.06 118.70 118.32 1vsa s GLU 21 Ca 1.11 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 1vsa s GLU 21 Cb -1.27 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 29.97 1vsa s GLU 21 CO 0.65 0.59 0.00 1.97 0.95 0.00 0.00 175.26 179.42 1vsa n PHE 22 N 1.59 0.00 -4.01 4.83 1.16 -1.26 -5.15 117.46 114.62 1vsa n PHE 22 Ca -0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.41 1vsa n PHE 22 Cb 0.52 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.39 1vsa n PHE 22 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 1vsa n ARG 23 N 0.00 0.03 0.00 3.97 1.85 -1.26 -5.19 116.66 116.06 1vsa n ARG 23 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 57.85 56.63 1vsa n ARG 23 Cb 0.00 0.18 0.00 0.00 -1.05 0.00 0.00 32.46 31.59 1vsa n ARG 23 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1vsa n PRO 24 N -0.04 3.66 -0.05 2.89 -0.02 -1.26 -4.95 135.00 135.22 1vsa n PRO 24 Ca 0.01 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1vsa n PRO 24 Cb 0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.52 1vsa n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vsa n GLY 25 N 0.00 -1.98 3.75 -1.23 0.00 -1.25 -4.62 105.19 99.86 1vsa n GLY 25 Ca 0.00 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1vsa n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1vsa s ASP 26 N -3.77 6.81 -0.21 1.61 1.47 -1.26 -2.92 116.67 118.40 1vsa s ASP 26 Ca 0.00 2.54 -0.16 0.00 1.18 0.00 0.00 52.55 56.11 1vsa s ASP 26 Cb 0.00 -2.62 0.06 0.00 -0.34 0.00 0.00 42.92 40.02 1vsa s ASP 26 CO 0.00 -0.57 0.54 0.28 0.68 0.00 0.00 175.17 176.11 1vsa s THR 27 N -0.25 -0.01 0.00 2.11 -1.32 -1.26 -2.71 115.64 112.20 1vsa s THR 27 Ca 0.55 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 1vsa s THR 27 Cb -0.39 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1vsa s THR 27 CO 0.43 0.01 0.00 0.52 -2.21 0.00 0.00 174.62 173.37 1vsa n VAL 28 N 3.57 0.00 0.00 5.08 0.31 -1.15 -4.53 118.33 121.61 1vsa n VAL 28 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1vsa n VAL 28 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1vsa n VAL 28 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vsa n ARG 29 N 0.00 0.00 -2.19 5.55 3.00 -1.14 -4.24 116.66 117.64 1vsa n ARG 29 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 29 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 1vsa n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1vsa n VAL 30 N 0.00 -3.07 0.00 5.15 0.24 -1.26 -2.59 118.33 116.79 1vsa n VAL 30 Ca 0.00 0.70 0.00 0.00 -2.04 0.00 0.00 64.34 63.00 1vsa n VAL 30 Cb 0.00 -2.63 0.00 0.00 -1.47 0.00 0.00 33.84 29.74 1vsa n VAL 30 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1vsa n SER 31 N 2.02 0.00 0.19 -1.34 2.88 0.15 -3.63 113.62 113.90 1vsa n SER 31 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1vsa n SER 31 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1vsa n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vsa n TYR 32 N 0.00 -3.96 -1.12 0.66 0.18 -1.26 -3.70 117.16 107.96 1vsa n TYR 32 Ca 0.00 1.20 0.09 0.00 1.88 0.00 0.00 57.90 61.07 1vsa n TYR 32 Cb 0.00 2.90 -0.05 0.00 -0.38 0.00 0.00 39.34 41.81 1vsa n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1vsa n LYS 33 N -3.37 -2.09 -3.69 -3.48 5.02 -1.26 -4.09 118.16 105.20 1vsa n LYS 33 Ca 0.00 1.70 -0.12 0.00 -2.02 0.00 0.00 58.31 57.87 1vsa n LYS 33 Cb 0.00 -2.57 -0.09 0.00 -0.02 0.00 0.00 35.03 32.35 1vsa n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vsa s VAL 34 N -4.67 -0.00 0.07 -0.18 1.01 -1.26 -4.12 120.40 111.26 1vsa s VAL 34 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1vsa s VAL 34 Cb 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1vsa s VAL 34 CO 0.00 0.01 0.13 -1.59 0.00 0.00 0.00 175.10 173.64 1vsa s LYS 35 N 0.56 0.76 0.00 2.72 0.00 -0.40 -5.00 119.74 118.39 1vsa s LYS 35 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 55.97 54.94 1vsa s LYS 35 Cb -0.04 0.30 0.00 0.00 0.00 0.00 0.00 37.83 38.09 1vsa s LYS 35 CO -0.03 -0.22 0.00 -0.85 0.00 0.00 0.00 175.35 174.25 1vsa n GLU 36 N 0.04 0.00 0.00 1.78 0.28 -1.26 -0.23 120.64 121.25 1vsa n GLU 36 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1vsa n GLU 36 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 1vsa n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vsa n GLY 37 N 0.00 1.14 3.62 -1.84 0.00 -1.26 -4.89 105.19 101.95 1vsa n GLY 37 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1vsa n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa s ASN 38 N 0.00 6.42 -0.75 1.61 6.03 0.68 -4.92 114.94 124.00 1vsa s ASN 38 Ca 0.00 1.27 -0.03 0.00 -1.03 0.00 0.00 52.86 53.07 1vsa s ASN 38 Cb 0.00 -2.54 0.18 0.00 -3.03 0.00 0.00 41.25 35.87 1vsa s ASN 38 CO 0.00 -1.28 2.40 0.54 -2.03 0.00 0.00 177.10 176.72 1vsa n ARG 39 N 7.72 3.12 0.00 3.55 1.74 -1.26 -1.28 116.66 130.25 1vsa n ARG 39 Ca 0.17 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 1vsa n ARG 39 Cb 0.46 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1vsa n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vsa n THR 40 N 0.46 0.00 -0.59 0.55 -2.24 -1.26 -4.87 114.28 106.32 1vsa n THR 40 Ca 0.52 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.38 1vsa n THR 40 Cb 0.38 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1vsa n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vsa n ARG 41 N 0.00 -1.31 -2.73 -0.78 5.12 -1.26 -4.06 116.66 111.65 1vsa n ARG 41 Ca 0.00 1.00 -0.03 0.00 -1.93 0.00 0.00 57.85 56.89 1vsa n ARG 41 Cb 0.00 -1.55 0.02 0.00 -1.16 0.00 0.00 32.46 29.77 1vsa n ARG 41 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1vsa s ILE 42 N -2.72 -0.47 0.53 0.55 -4.36 -1.26 -4.11 121.20 109.36 1vsa s ILE 42 Ca 0.00 -0.41 0.02 0.00 -0.26 0.00 0.00 60.65 60.00 1vsa s ILE 42 Cb 0.00 0.00 0.03 0.00 1.25 0.00 0.00 42.46 43.74 1vsa s ILE 42 CO 0.00 0.00 0.74 -1.10 0.24 0.00 0.00 174.94 174.82 1vsa s GLN 43 N 1.07 2.60 -0.39 0.37 -1.52 -1.26 -3.08 119.66 117.44 1vsa s GLN 43 Ca 0.24 -0.83 0.03 0.00 -1.95 0.00 0.00 55.36 52.85 1vsa s GLN 43 Cb 0.07 -2.53 0.18 0.00 -0.22 0.00 0.00 33.01 30.52 1vsa s GLN 43 CO -0.09 -0.64 0.76 -0.51 -0.25 0.00 0.00 175.29 174.56 1vsa s ASP 44 N -4.41 -1.18 1.00 5.90 1.11 -1.26 0.32 116.67 118.15 1vsa s ASP 44 Ca 0.57 -0.65 -0.20 0.00 0.18 0.00 0.00 52.55 52.45 1vsa s ASP 44 Cb -0.10 1.51 -0.14 0.00 1.07 0.00 0.00 42.92 45.26 1vsa s ASP 44 CO 0.38 -0.12 -0.90 0.33 1.18 0.00 0.00 175.17 176.04 1vsa n PHE 45 N 4.11 -3.80 0.00 4.23 7.35 -1.26 -4.36 117.46 123.72 1vsa n PHE 45 Ca 0.10 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1vsa n PHE 45 Cb 0.59 -1.45 0.00 0.00 0.35 0.00 0.00 39.48 38.97 1vsa n PHE 45 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1vsa n GLU 46 N 2.05 0.00 -0.27 -4.13 0.00 -1.26 -4.33 120.64 112.70 1vsa n GLU 46 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1vsa n GLU 46 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 1vsa n GLU 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vsa n GLY 47 N 3.16 0.00 3.95 8.31 0.00 -1.20 -4.48 105.19 114.94 1vsa n GLY 47 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1vsa n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsa s ILE 48 N -1.01 3.64 0.00 -0.61 1.09 -1.15 -4.17 121.20 119.00 1vsa s ILE 48 Ca 0.00 -0.48 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 1vsa s ILE 48 Cb 0.00 -3.36 0.00 0.00 -1.06 0.00 0.00 42.46 38.04 1vsa s ILE 48 CO 0.00 -0.27 0.04 1.33 -0.10 0.00 0.00 174.94 175.95 1vsa n VAL 49 N -2.20 0.00 -0.04 2.92 0.24 -1.15 -2.92 118.33 115.18 1vsa n VAL 49 Ca 0.03 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 1vsa n VAL 49 Cb 0.58 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 1vsa n VAL 49 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1vsa h ILE 50 N 1.51 0.06 -3.25 1.34 2.10 0.84 -3.40 117.51 116.70 1vsa h ILE 50 Ca 0.00 0.00 -0.67 0.00 1.08 0.00 0.00 64.86 65.27 1vsa h ILE 50 Cb 0.04 0.06 -0.32 0.00 -1.09 0.00 0.00 36.82 35.51 1vsa h ILE 50 CO 0.04 0.00 -0.80 -0.60 -1.08 0.00 0.00 178.15 175.72 1vsa s ARG 51 N -5.78 3.07 -0.94 2.19 3.52 0.18 -2.98 118.95 118.21 1vsa s ARG 51 Ca -0.15 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 54.64 1vsa s ARG 51 Cb 0.09 -2.78 0.31 0.00 -1.56 0.00 0.00 34.95 31.01 1vsa s ARG 51 CO 0.63 -0.24 1.42 1.51 -0.81 0.00 0.00 175.30 177.81 1vsa n ILE 52 N 4.68 4.89 -2.55 4.11 0.13 -1.26 -2.82 119.36 126.54 1vsa n ILE 52 Ca -0.19 -5.81 -0.43 0.00 -1.10 0.00 0.00 62.75 55.22 1vsa n ILE 52 Cb 0.50 -1.83 -0.02 0.00 -0.84 0.00 0.00 39.64 37.44 1vsa n ILE 52 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1vsa s ARG 53 N -3.33 3.94 0.00 9.51 3.00 -1.09 -5.01 118.95 125.97 1vsa s ARG 53 Ca 0.37 1.03 0.00 0.00 -1.00 0.00 0.00 55.73 56.13 1vsa s ARG 53 Cb 0.14 -3.82 0.00 0.00 0.00 0.00 0.00 34.95 31.26 1vsa s ARG 53 CO -0.01 -1.08 0.00 0.54 0.00 0.00 0.00 175.30 174.75 1vsa n ARG 54 N 7.23 1.90 0.00 5.12 5.12 -1.26 -2.99 116.66 131.78 1vsa n ARG 54 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1vsa n ARG 54 Cb 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 1vsa n ARG 54 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1vsa n ASN 55 N 0.00 0.00 0.00 0.55 5.15 -1.26 -4.49 115.26 115.21 1vsa n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1vsa n ASN 55 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1vsa n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vsa n GLY 56 N 0.00 1.34 0.21 8.20 0.00 -1.26 -4.88 105.19 108.80 1vsa n GLY 56 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1vsa n GLY 56 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vsa h PHE 57 N 0.00 0.47 -2.66 1.61 3.04 -1.95 -3.37 116.94 114.08 1vsa h PHE 57 Ca 0.00 -0.14 -0.60 0.00 3.98 0.00 0.00 57.97 61.21 1vsa h PHE 57 Cb 0.00 -0.10 -0.39 0.00 2.56 0.00 0.00 35.95 38.02 1vsa h PHE 57 CO 0.00 0.77 -0.83 1.21 -2.02 0.00 0.00 178.31 177.44 1vsa s ASN 58 N -6.87 2.74 0.31 0.41 3.84 -1.26 -5.11 114.94 109.00 1vsa s ASN 58 Ca -0.06 -3.10 0.08 0.00 0.21 0.00 0.00 52.86 49.99 1vsa s ASN 58 Cb 0.13 -0.82 -0.03 0.00 -0.55 0.00 0.00 41.25 39.98 1vsa s ASN 58 CO 0.80 -0.18 0.21 0.42 -2.79 0.00 0.00 177.10 175.56 1vsa s THR 59 N -0.16 3.61 0.22 -5.21 -4.23 -1.26 -4.79 115.64 103.81 1vsa s THR 59 Ca 0.27 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.36 1vsa s THR 59 Cb -0.05 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 1vsa s THR 59 CO -0.14 -0.23 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.67 1vsa s THR 60 N -2.30 1.81 0.25 3.99 2.01 -1.16 -4.87 115.64 115.37 1vsa s THR 60 Ca 0.38 -2.23 0.02 0.00 0.31 0.00 0.00 61.69 60.17 1vsa s THR 60 Cb -0.06 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1vsa s THR 60 CO 0.25 -0.56 0.18 -0.36 -0.69 0.00 0.00 174.62 173.43 1vsa s PHE 61 N -2.93 1.40 0.00 4.92 0.40 -0.56 -2.67 117.98 118.55 1vsa s PHE 61 Ca 0.24 -1.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.11 1vsa s PHE 61 Cb -0.01 -0.65 0.00 0.00 0.51 0.00 0.00 43.02 42.87 1vsa s PHE 61 CO 0.08 -0.68 0.00 -2.37 0.70 0.00 0.00 175.22 172.94 1vsa n THR 62 N -0.42 0.00 -4.07 0.64 5.66 -1.13 0.51 114.28 115.48 1vsa n THR 62 Ca 0.03 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.95 1vsa n THR 62 Cb 0.65 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.32 1vsa n THR 62 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1vsa s VAL 63 N -2.00 0.30 0.27 1.08 -7.23 -0.80 0.13 120.40 112.15 1vsa s VAL 63 Ca 0.00 -1.46 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 1vsa s VAL 63 Cb 0.00 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.84 1vsa s VAL 63 CO 0.00 -0.75 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.41 1vsa s ARG 64 N -2.85 1.48 0.00 4.82 3.52 -1.15 -2.35 118.95 122.41 1vsa s ARG 64 Ca -0.01 -1.75 0.00 0.00 -0.13 0.00 0.00 55.73 53.83 1vsa s ARG 64 Cb -0.00 -0.93 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 1vsa s ARG 64 CO -0.05 -0.03 0.00 1.17 -0.81 0.00 0.00 175.30 175.58 1vsa n LYS 65 N -0.53 0.00 -0.12 5.12 3.00 -1.16 -2.94 118.16 121.53 1vsa n LYS 65 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.23 1vsa n LYS 65 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.66 1vsa n LYS 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vsa n VAL 66 N 0.00 0.00 -1.07 3.15 0.31 -1.16 -2.88 118.33 116.68 1vsa n VAL 66 Ca 0.00 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1vsa n VAL 66 Cb 0.00 -1.31 -0.09 0.00 -0.91 0.00 0.00 33.84 31.52 1vsa n VAL 66 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1vsa n SER 67 N 4.93 0.55 0.00 4.52 2.88 -1.14 -4.04 113.62 121.32 1vsa n SER 67 Ca 0.03 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.42 1vsa n SER 67 Cb 0.03 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1vsa n SER 67 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1vsa n TYR 68 N 12.55 0.00 0.01 0.66 0.53 -1.26 -4.36 117.16 125.29 1vsa n TYR 68 Ca 0.34 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 57.21 1vsa n TYR 68 Cb 0.43 -0.16 -0.00 0.00 -1.03 0.00 0.00 39.34 38.58 1vsa n TYR 68 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1vsa h GLY 69 N 0.00 -0.05 -1.53 2.72 0.00 -1.93 -3.51 103.07 98.77 1vsa h GLY 69 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.46 1vsa h GLY 69 CO 0.00 -0.02 0.46 0.14 0.00 0.00 0.00 176.54 177.12 1vsa s VAL 70 N -1.52 0.00 -0.75 4.60 1.01 -1.26 -5.04 120.40 117.43 1vsa s VAL 70 Ca -0.01 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 1vsa s VAL 70 Cb 0.00 -2.73 -0.28 0.00 0.00 0.00 0.00 36.38 33.37 1vsa s VAL 70 CO 0.02 0.00 1.95 0.61 0.00 0.00 0.00 175.10 177.68 1vsa n GLY 71 N -0.61 -0.17 3.56 4.51 0.00 -1.26 -2.90 105.19 108.32 1vsa n GLY 71 Ca -0.05 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1vsa n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsa s VAL 72 N 14.22 3.15 -0.63 1.61 1.01 -1.14 -4.79 120.40 133.84 1vsa s VAL 72 Ca 0.77 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 1vsa s VAL 72 Cb 0.01 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 33.18 1vsa s VAL 72 CO 0.24 -0.34 2.53 -0.62 0.00 0.00 0.00 175.10 176.90 1vsa n GLU 73 N 8.89 2.72 -1.55 2.72 -0.58 -1.26 -3.00 120.64 128.58 1vsa n GLU 73 Ca 0.41 -2.79 -0.32 0.00 -0.42 0.00 0.00 57.16 54.04 1vsa n GLU 73 Cb 0.47 -2.22 -0.04 0.00 -0.57 0.00 0.00 31.44 29.08 1vsa n GLU 73 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1vsa n ARG 74 N 0.53 0.90 -3.53 3.49 5.12 -0.99 -4.80 116.66 117.38 1vsa n ARG 74 Ca 0.51 -0.16 -0.37 0.00 -1.93 0.00 0.00 57.85 55.90 1vsa n ARG 74 Cb 0.44 -3.41 -0.08 0.00 -1.16 0.00 0.00 32.46 28.25 1vsa n ARG 74 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1vsa s ILE 75 N 12.54 5.29 0.29 0.55 1.01 -1.26 -1.90 121.20 137.72 1vsa s ILE 75 Ca 0.99 0.45 0.03 0.00 0.00 0.00 0.00 60.65 62.12 1vsa s ILE 75 Cb -0.21 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 1vsa s ILE 75 CO 0.24 0.31 0.04 -0.36 0.00 0.00 0.00 174.94 175.17 1vsa s PHE 76 N 1.08 1.79 0.00 3.97 0.40 0.18 -4.93 117.98 120.47 1vsa s PHE 76 Ca 0.13 -0.97 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1vsa s PHE 76 Cb -0.14 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.28 1vsa s PHE 76 CO 0.06 -0.04 0.00 -2.30 0.70 0.00 0.00 175.22 173.63 1vsa n PRO 77 N -0.57 0.96 -0.41 0.24 -0.02 -1.26 -1.50 135.00 132.44 1vsa n PRO 77 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1vsa n PRO 77 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.14 1vsa n PRO 77 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1vsa n LEU 78 N 0.00 0.00 0.00 2.45 -0.00 -1.26 -4.67 117.00 113.52 1vsa n LEU 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vsa n LEU 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1vsa n LEU 78 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.39 178.80 1vsa n HIS 79 N 0.00 0.00 0.00 1.47 8.25 -1.26 -3.03 115.22 120.65 1vsa n HIS 79 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vsa n HIS 79 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vsa n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1vsa n SER 80 N -1.24 0.00 -0.23 0.41 7.64 -1.26 0.82 113.62 119.76 1vsa n SER 80 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1vsa n SER 80 Cb 0.00 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 1vsa n SER 80 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1vsa h PRO 81 N 0.00 0.40 -6.86 1.43 0.11 -1.98 -3.42 132.00 121.67 1vsa h PRO 81 Ca 0.00 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.61 1vsa h PRO 81 Cb 0.00 -0.09 0.04 0.00 0.11 0.00 0.00 31.00 31.06 1vsa h PRO 81 CO 0.00 0.26 0.03 -0.51 -0.21 0.00 0.00 178.00 177.57 1vsa s LEU 82 N -10.44 3.56 -0.03 2.35 1.02 0.24 -4.52 118.68 110.86 1vsa s LEU 82 Ca -0.13 0.60 -0.06 0.00 0.02 0.00 0.00 54.13 54.56 1vsa s LEU 82 Cb 0.19 -3.48 -0.02 0.00 0.02 0.00 0.00 46.19 42.90 1vsa s LEU 82 CO 0.75 -0.73 -0.12 2.30 0.02 0.00 0.00 176.35 178.58 1vsa n ILE 83 N -2.24 0.86 -2.80 -0.59 -5.35 -1.24 -4.78 119.36 103.22 1vsa n ILE 83 Ca 0.01 0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.66 1vsa n ILE 83 Cb 0.57 -1.72 0.04 0.00 -1.74 0.00 0.00 39.64 36.78 1vsa n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vsa n GLN 84 N -3.45 0.79 -2.30 6.28 10.64 -1.26 -4.92 117.38 123.16 1vsa n GLN 84 Ca -0.05 -1.91 -0.40 0.00 -1.83 0.00 0.00 57.00 52.81 1vsa n GLN 84 Cb 0.17 -1.42 -0.03 0.00 -0.86 0.00 0.00 30.24 28.11 1vsa n GLN 84 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1vsa s LYS 85 N 0.46 3.01 -0.00 2.61 1.02 -1.07 -4.58 119.74 121.19 1vsa s LYS 85 Ca 0.32 0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.60 1vsa s LYS 85 Cb 0.23 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 1vsa s LYS 85 CO -0.22 -2.30 0.20 0.42 -0.92 0.00 0.00 175.35 172.53 1vsa s ILE 86 N 7.11 5.41 0.51 2.17 1.01 -1.17 -4.78 121.20 131.45 1vsa s ILE 86 Ca 0.53 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.89 1vsa s ILE 86 Cb -0.11 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.74 1vsa s ILE 86 CO 0.20 0.33 1.03 1.51 0.00 0.00 0.00 174.94 178.01 1vsa s ASP 87 N -1.91 6.29 0.00 3.58 -4.77 -1.26 -2.87 116.67 115.73 1vsa s ASP 87 Ca 0.28 1.86 0.00 0.00 -3.30 0.00 0.00 52.55 51.39 1vsa s ASP 87 Cb -0.13 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 1vsa s ASP 87 CO 0.18 -0.81 0.14 -0.38 0.70 0.00 0.00 175.17 174.99 1vsa n ILE 88 N -1.20 0.00 -2.41 2.11 5.41 -1.10 -4.74 119.36 117.42 1vsa n ILE 88 Ca 0.09 0.64 0.01 0.00 1.00 0.00 0.00 62.75 64.48 1vsa n ILE 88 Cb 0.53 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 1vsa n ILE 88 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1vsa n VAL 89 N -0.15 0.08 -0.56 1.39 0.31 -1.26 -5.04 118.33 113.10 1vsa n VAL 89 Ca 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 64.34 63.44 1vsa n VAL 89 Cb 0.00 0.91 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 1vsa n VAL 89 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vsa n GLN 90 N 0.28 0.00 -4.51 5.55 -0.00 -1.10 -4.80 117.38 112.80 1vsa n GLN 90 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.74 1vsa n GLN 90 Cb 1.02 -0.24 -0.11 0.00 -0.00 0.00 0.00 30.24 30.91 1vsa n GLN 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1vsa s ARG 91 N -1.14 1.74 0.00 2.61 1.70 -1.26 -4.32 118.95 118.29 1vsa s ARG 91 Ca 0.00 -1.96 0.00 0.00 -0.47 0.00 0.00 55.73 53.30 1vsa s ARG 91 Cb 0.00 -1.17 0.00 0.00 -0.57 0.00 0.00 34.95 33.21 1vsa s ARG 91 CO 0.00 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 1vsa n GLY 92 N -0.77 2.63 3.09 3.88 0.00 -0.50 -3.09 105.19 110.42 1vsa n GLY 92 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1vsa n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vsa n ARG 93 N -2.00 -0.16 -1.90 1.61 0.63 0.25 -4.09 116.66 111.00 1vsa n ARG 93 Ca 0.00 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1vsa n ARG 93 Cb 0.00 -3.28 0.00 0.00 0.45 0.00 0.00 32.46 29.63 1vsa n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vsa n ALA 94 N 1.00 -2.01 -0.03 5.13 0.00 -1.18 -4.85 120.51 118.57 1vsa n ALA 94 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.88 1vsa n ALA 94 Cb 0.04 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1vsa n ALA 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1vsa n ARG 95 N 0.39 0.14 0.00 0.00 0.00 -1.26 -5.10 116.66 110.83 1vsa n ARG 95 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1vsa n ARG 95 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.48 1vsa n ARG 95 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1vsa n ARG 96 N -2.88 0.00 -2.65 -0.14 1.85 -1.26 -5.11 116.66 106.46 1vsa n ARG 96 Ca -0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.71 1vsa n ARG 96 Cb 0.60 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 32.07 1vsa n ARG 96 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vsa n ALA 97 N -3.00 -3.10 -3.74 2.89 0.00 -1.26 -4.59 120.51 107.70 1vsa n ALA 97 Ca 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 1vsa n ALA 97 Cb 0.00 -2.40 -0.12 0.00 0.00 0.00 0.00 19.45 16.93 1vsa n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vsa s LYS 98 N 0.01 1.86 -0.03 0.00 3.01 -1.26 -4.10 119.74 119.23 1vsa s LYS 98 Ca 0.13 -2.79 -0.30 0.00 -1.01 0.00 0.00 55.97 52.00 1vsa s LYS 98 Cb 0.19 -2.74 -0.05 0.00 -1.01 0.00 0.00 37.83 34.22 1vsa s LYS 98 CO -0.13 -1.28 1.47 -0.51 0.51 0.00 0.00 175.35 175.40 1vsa s LEU 99 N -0.73 4.30 0.00 3.17 1.43 -1.16 -4.80 118.68 120.89 1vsa s LEU 99 Ca 0.25 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1vsa s LEU 99 Cb -0.06 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1vsa s LEU 99 CO -0.14 -0.79 0.00 -1.22 0.23 0.00 0.00 176.35 174.43 1vsa n TYR 100 N 6.03 0.00 -0.31 0.29 4.02 -1.26 -4.91 117.16 121.02 1vsa n TYR 100 Ca 0.15 0.00 0.29 0.00 -0.01 0.00 0.00 57.90 58.32 1vsa n TYR 100 Cb 0.43 0.00 0.50 0.00 -0.02 0.00 0.00 39.34 40.26 1vsa n TYR 100 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 1vsa n PHE 101 N 0.00 0.75 -0.02 -0.72 -0.00 -1.26 0.66 117.46 116.87 1vsa n PHE 101 Ca 0.00 0.75 -0.15 0.00 -0.00 0.00 0.00 57.45 58.06 1vsa n PHE 101 Cb 0.00 -1.17 -0.09 0.00 -0.00 0.00 0.00 39.48 38.22 1vsa n PHE 101 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.76 175.92 1vsa h ILE 102 N 0.00 0.02 0.00 1.97 3.07 -1.91 0.58 117.51 121.23 1vsa h ILE 102 Ca 0.69 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.10 1vsa h ILE 102 Cb 2.02 0.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1vsa h ILE 102 CO -0.49 0.00 0.65 0.08 -1.05 0.00 0.00 178.15 177.34 1vsa h ARG 103 N -0.57 0.00 0.00 0.16 0.11 -0.13 0.39 114.38 114.35 1vsa h ARG 103 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1vsa h ARG 103 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 1vsa h ARG 103 CO -0.44 0.00 0.00 0.27 0.10 0.00 0.00 179.97 179.90 1vsa n ASN 104 N -2.01 0.63 -0.23 0.08 6.94 -0.62 -4.80 115.26 115.26 1vsa n ASN 104 Ca -0.00 0.20 0.01 0.00 -0.02 0.00 0.00 54.58 54.77 1vsa n ASN 104 Cb 0.66 -0.11 0.04 0.00 -2.36 0.00 0.00 39.78 38.02 1vsa n ASN 104 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1vsa n LEU 105 N -3.33 0.63 -4.63 -4.53 4.77 0.19 -4.86 117.00 105.24 1vsa n LEU 105 Ca 0.00 -0.32 -0.44 0.00 -0.03 0.00 0.00 56.01 55.22 1vsa n LEU 105 Cb 0.00 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1vsa n LEU 105 CO 0.00 0.15 1.67 -1.54 -1.33 0.00 0.00 177.39 176.34 1vsa n SER 106 N -0.19 3.62 0.00 -1.43 3.41 0.14 -4.02 113.62 115.15 1vsa n SER 106 Ca 0.03 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1vsa n SER 106 Cb 0.11 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.58 1vsa n SER 106 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vsa n ASP 107 N 8.74 0.00 -0.36 4.04 5.68 -1.26 -4.91 116.55 128.47 1vsa n ASP 107 Ca 0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.53 1vsa n ASP 107 Cb 0.38 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.41 1vsa n ASP 107 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1vsa n ARG 108 N 0.00 -0.21 -0.17 0.11 1.85 -1.26 0.43 116.66 117.41 1vsa n ARG 108 Ca 0.00 1.43 -0.03 0.00 -1.00 0.00 0.00 57.85 58.25 1vsa n ARG 108 Cb 0.00 -2.13 0.07 0.00 -1.05 0.00 0.00 32.46 29.35 1vsa n ARG 108 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1vsa h GLU 109 N 0.00 0.38 0.20 2.89 5.08 -1.93 0.25 114.58 121.45 1vsa h GLU 109 Ca 0.33 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1vsa h GLU 109 Cb 0.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1vsa h GLU 109 CO -0.93 0.25 -0.10 0.82 -1.00 0.00 0.00 179.01 178.06 1vsa h ILE 110 N 0.39 0.80 0.00 3.13 5.03 -0.98 0.70 117.51 126.59 1vsa h ILE 110 Ca 0.24 -0.97 0.00 0.00 -0.12 0.00 0.00 64.86 64.02 1vsa h ILE 110 Cb 0.24 1.30 0.00 0.00 -3.03 0.00 0.00 36.82 35.33 1vsa h ILE 110 CO -0.23 0.19 0.00 0.54 -0.68 0.00 0.00 178.15 177.97 1vsa n ARG 111 N -4.98 0.26 -0.01 2.37 5.12 0.17 0.95 116.66 120.54 1vsa n ARG 111 Ca -0.08 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1vsa n ARG 111 Cb 0.26 -1.09 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 1vsa n ARG 111 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1vsa n ARG 112 N -0.59 2.04 0.00 5.56 0.63 0.87 -4.88 116.66 120.30 1vsa n ARG 112 Ca 0.01 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1vsa n ARG 112 Cb 0.01 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 31.82 1vsa n ARG 112 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1vsa n LYS 113 N -1.93 0.00 -3.29 -0.14 3.00 0.27 -4.87 118.16 111.20 1vsa n LYS 113 Ca -0.04 0.09 -0.29 0.00 -0.00 0.00 0.00 58.31 58.07 1vsa n LYS 113 Cb 0.41 -0.86 -0.04 0.00 0.00 0.00 0.00 35.03 34.54 1vsa n LYS 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1vsa s LEU 114 N -1.55 4.05 0.00 3.14 1.43 -1.18 -5.01 118.68 119.55 1vsa s LEU 114 Ca 0.00 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1vsa s LEU 114 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1vsa s LEU 114 CO 0.00 -0.20 0.00 0.54 0.23 0.00 0.00 176.35 176.92 1vsa n ARG 115 N -0.84 0.00 -3.86 1.70 5.12 -1.26 -4.47 116.66 113.05 1vsa n ARG 115 Ca -0.01 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.90 1vsa n ARG 115 Cb 0.54 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.85 1vsa n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vsa s ALA 116 N -2.00 -1.93 -0.01 7.54 0.00 -1.26 -1.41 121.76 122.69 1vsa s ALA 116 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.95 1vsa s ALA 116 Cb 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1vsa s ALA 116 CO 0.00 -1.08 -0.10 0.34 0.00 0.00 0.00 175.76 174.92 1vsa s ASP 117 N -3.40 1.18 -0.09 0.00 -1.08 -1.26 0.87 116.67 112.88 1vsa s ASP 117 Ca 0.22 -0.19 -0.03 0.00 -0.52 0.00 0.00 52.55 52.03 1vsa s ASP 117 Cb -0.01 -0.13 -0.02 0.00 -1.46 0.00 0.00 42.92 41.31 1vsa s ASP 117 CO 0.02 0.12 0.12 0.03 0.52 0.00 0.00 175.17 175.97 1vsa h ARG 118 N 5.86 -0.10 -3.03 4.34 2.47 -1.97 -3.20 114.38 118.76 1vsa h ARG 118 Ca -0.31 0.01 -0.67 0.00 -1.26 0.00 0.00 59.98 57.74 1vsa h ARG 118 Cb 1.18 0.02 0.03 0.00 -1.65 0.00 0.00 29.97 29.55 1vsa h ARG 118 CO 0.49 -0.06 3.85 0.36 0.56 0.00 0.00 179.97 185.17 1vsa n LYS 119 N -4.78 3.69 0.00 0.04 0.00 -1.26 -1.91 118.16 113.95 1vsa n LYS 119 Ca -0.01 -2.21 0.00 0.00 -0.00 0.00 0.00 58.31 56.09 1vsa n LYS 119 Cb 0.04 -2.81 0.00 0.00 -0.00 0.00 0.00 35.03 32.26 1vsa n LYS 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1vsa n ARG 120 N 3.64 0.00 0.00 -1.58 0.63 -1.26 -4.96 116.66 113.13 1vsa n ARG 120 Ca 0.78 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 1vsa n ARG 120 Cb 0.23 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.14 1vsa n ARG 120 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1vsa n ILE 121 N -0.04 0.00 1.54 5.15 0.00 -0.80 -4.68 119.36 120.53 1vsa n ILE 121 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 62.75 63.12 1vsa n ILE 121 Cb 0.00 -1.24 0.54 0.00 0.00 0.00 0.00 39.64 38.94 1vsa n ILE 121 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1vsa n ASP 122 N -1.99 1.17 -0.04 9.51 10.43 -1.15 -3.96 116.55 130.54 1vsa n ASP 122 Ca 0.00 -1.48 -0.17 0.00 2.57 0.00 0.00 54.79 55.71 1vsa n ASP 122 Cb 0.00 -0.03 -0.13 0.00 1.84 0.00 0.00 41.12 42.79 1vsa n ASP 122 CO 0.00 0.00 0.00 0.07 -1.07 0.00 0.00 177.20 176.20 1vsa h LYS 123 N 1.71 0.10 0.00 -1.24 2.10 -1.86 -3.04 116.57 114.34 1vsa h LYS 123 Ca 0.00 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1vsa h LYS 123 Cb 0.37 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1vsa h LYS 123 CO 0.00 1.08 0.00 -0.25 -2.00 0.00 0.00 179.45 178.28 1vsa n ASP 124 N -4.43 0.00 -0.10 7.07 9.92 -1.25 -1.63 116.55 126.12 1vsa n ASP 124 Ca -0.13 -0.41 -0.12 0.00 -0.53 0.00 0.00 54.79 53.59 1vsa n ASP 124 Cb 0.61 -0.10 -0.04 0.00 -0.64 0.00 0.00 41.12 40.95 1vsa n ASP 124 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1vsa n ARG 125 N -1.10 0.54 0.28 -1.24 5.12 -1.25 -2.93 116.66 116.08 1vsa n ARG 125 Ca 0.13 0.23 0.15 0.00 -1.93 0.00 0.00 57.85 56.43 1vsa n ARG 125 Cb 0.10 -1.45 0.82 0.00 -1.16 0.00 0.00 32.46 30.76 1vsa n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vsa h ALA 126 N -1.00 1.27 -0.00 7.54 0.00 -1.57 -0.96 119.26 124.55 1vsa h ALA 126 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1vsa h ALA 126 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1vsa h ALA 126 CO -0.07 0.10 -0.50 0.00 0.00 0.00 0.00 179.25 178.78 1vsa n ALA 127 N -2.25 3.58 -0.17 0.00 0.00 -0.65 -4.97 120.51 116.05 1vsa n ALA 127 Ca -0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 53.44 52.93 1vsa n ALA 127 Cb 0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1vsa n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vsa n GLU 128 N -1.17 0.00 -0.28 0.00 0.28 -0.37 -4.62 120.64 114.49 1vsa n GLU 128 Ca 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.06 1vsa n GLU 128 Cb 0.35 -0.17 0.01 0.00 1.43 0.00 0.00 31.44 33.05 1vsa n GLU 128 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1vsa n ARG 129 N 0.67 1.06 -0.57 3.44 3.00 -1.26 -3.09 116.66 119.92 1vsa n ARG 129 Ca 0.05 -0.13 0.08 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 129 Cb -0.01 -1.05 0.29 0.00 0.00 0.00 0.00 32.46 31.70 1vsa n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vsa n ALA 130 N 0.90 3.27 -1.18 5.13 0.00 -1.26 -5.03 120.51 122.34 1vsa n ALA 130 Ca 0.02 -2.26 -0.32 0.00 0.00 0.00 0.00 53.44 50.88 1vsa n ALA 130 Cb 0.53 -0.82 0.10 0.00 0.00 0.00 0.00 19.45 19.26 1vsa n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa s ALA 131 N -2.84 2.07 1.01 0.00 0.00 -1.18 -5.00 121.76 115.82 1vsa s ALA 131 Ca 0.45 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 1vsa s ALA 131 Cb 0.36 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 20.18 1vsa s ALA 131 CO 0.10 -1.95 0.29 1.63 0.00 0.00 0.00 175.76 175.83 1vsa n LYS 132 N -3.35 -0.72 0.00 0.00 5.02 -1.26 -5.05 118.16 112.80 1vsa n LYS 132 Ca 0.11 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1vsa n LYS 132 Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1vsa n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1vsa n GLU 133 N -1.84 0.00 -1.90 1.97 4.07 -1.26 -5.13 120.64 116.55 1vsa n GLU 133 Ca 0.05 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.73 1vsa n GLU 133 Cb 0.56 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.92 1vsa n GLU 133 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1vsa s GLU 134 N 2.95 4.20 0.00 5.31 2.02 -1.26 -5.01 118.70 126.90 1vsa s GLU 134 Ca 0.00 2.42 0.00 0.00 0.02 0.00 0.00 54.97 57.41 1vsa s GLU 134 Cb 0.00 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1vsa s GLU 134 CO 0.00 -0.57 0.00 1.55 0.02 0.00 0.00 175.26 176.26 1vsa n VAL 135 N 3.04 0.00 -3.44 2.63 3.14 -1.26 -5.08 118.33 117.36 1vsa n VAL 135 Ca 0.11 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.05 1vsa n VAL 135 Cb 0.38 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.10 1vsa n VAL 135 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1vsa s GLN 136 N 3.10 2.76 0.00 1.45 2.00 -1.26 -5.36 119.66 122.34 1vsa s GLN 136 Ca 0.00 -1.79 0.17 0.00 -2.00 0.00 0.00 55.36 51.73 1vsa s GLN 136 Cb 0.00 -4.11 0.13 0.00 0.80 0.00 0.00 33.01 29.83 1vsa s GLN 136 CO 0.00 -1.26 1.03 1.17 -0.50 0.00 0.00 175.29 175.73