#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvc n SER 2 N 0.00 1.48 0.00 0.00 7.64 -1.26 -4.83 113.62 116.65 1qvc n SER 2 Ca 0.00 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1qvc n SER 2 Cb 0.00 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1qvc n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qvc n ARG 3 N -4.09 0.00 0.00 1.43 1.74 -1.26 -4.96 116.66 109.53 1qvc n ARG 3 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1qvc n ARG 3 Cb 0.30 -0.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 1qvc n ARG 3 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qvc n GLY 4 N 0.00 -3.66 3.12 -0.13 0.00 -1.26 -4.99 105.19 98.27 1qvc n GLY 4 Ca 0.00 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 1qvc n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qvc s VAL 5 N -0.78 1.57 -0.53 1.61 1.01 -1.26 -5.07 120.40 116.95 1qvc s VAL 5 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1qvc s VAL 5 Cb 0.00 -1.39 0.15 0.00 0.00 0.00 0.00 36.38 35.14 1qvc s VAL 5 CO 0.00 0.45 0.32 0.21 0.00 0.00 0.00 175.10 176.08 1qvc s ASN 6 N 0.52 3.94 -0.05 3.32 3.84 -1.26 -5.09 114.94 120.15 1qvc s ASN 6 Ca -0.17 -3.08 0.05 0.00 0.21 0.00 0.00 52.86 49.87 1qvc s ASN 6 Cb -0.17 -1.31 -0.01 0.00 -0.55 0.00 0.00 41.25 39.22 1qvc s ASN 6 CO 0.06 -0.20 -0.21 -0.75 -2.79 0.00 0.00 177.10 173.21 1qvc s LYS 7 N -0.31 2.18 -0.07 0.43 2.47 -1.26 -4.28 119.74 118.89 1qvc s LYS 7 Ca 0.21 -0.74 0.02 0.00 -1.56 0.00 0.00 55.97 53.90 1qvc s LYS 7 Cb -0.17 -1.84 0.02 0.00 -1.46 0.00 0.00 37.83 34.37 1qvc s LYS 7 CO -0.06 0.28 -0.11 0.08 0.16 0.00 0.00 175.35 175.71 1qvc s VAL 8 N 0.01 1.05 -0.20 4.02 1.01 0.39 -4.93 120.40 121.76 1qvc s VAL 8 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1qvc s VAL 8 Cb -0.13 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1qvc s VAL 8 CO 0.03 0.34 -0.12 -0.63 0.00 0.00 0.00 175.10 174.73 1qvc s ILE 9 N 0.87 2.76 0.06 2.22 1.01 -1.26 -1.50 121.20 125.35 1qvc s ILE 9 Ca -0.11 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 59.90 1qvc s ILE 9 Cb -0.15 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1qvc s ILE 9 CO 0.01 0.47 -0.21 -0.76 0.00 0.00 0.00 174.94 174.46 1qvc s LEU 10 N 1.39 2.20 -0.22 2.97 1.43 -0.27 -4.96 118.68 121.21 1qvc s LEU 10 Ca 0.05 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1qvc s LEU 10 Cb -0.14 -0.94 0.08 0.00 0.03 0.00 0.00 46.19 45.22 1qvc s LEU 10 CO -0.08 0.13 0.09 -0.69 0.23 0.00 0.00 176.35 176.04 1qvc s VAL 11 N -0.89 0.08 0.04 -1.59 1.01 -1.26 0.26 120.40 118.07 1qvc s VAL 11 Ca 0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1qvc s VAL 11 Cb -0.09 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1qvc s VAL 11 CO 0.02 -0.44 0.08 0.61 0.00 0.00 0.00 175.10 175.38 1qvc n GLY 12 N 5.20 2.01 3.72 4.51 0.00 -1.03 -4.81 105.19 114.80 1qvc n GLY 12 Ca -0.07 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 1qvc n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qvc s ASN 13 N -1.22 5.34 0.22 1.61 0.02 -1.20 -1.64 114.94 118.07 1qvc s ASN 13 Ca 0.02 0.04 -0.30 0.00 -1.02 0.00 0.00 52.86 51.60 1qvc s ASN 13 Cb -0.00 -1.45 -0.09 0.00 0.02 0.00 0.00 41.25 39.73 1qvc s ASN 13 CO 0.01 0.27 1.24 -0.76 0.02 0.00 0.00 177.10 177.88 1qvc s LEU 14 N -1.68 4.45 0.15 0.60 1.02 -0.94 -2.28 118.68 119.99 1qvc s LEU 14 Ca 0.21 2.35 0.25 0.00 0.02 0.00 0.00 54.13 56.97 1qvc s LEU 14 Cb -0.12 -3.61 0.62 0.00 0.02 0.00 0.00 46.19 43.10 1qvc s LEU 14 CO 0.12 -0.42 1.57 0.61 0.02 0.00 0.00 176.35 178.25 1qvc n GLY 15 N 1.98 -1.55 3.84 -3.19 0.00 -0.33 -1.48 105.19 104.47 1qvc n GLY 15 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1qvc n GLY 15 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qvc s GLN 16 N -3.12 1.47 0.39 1.61 -2.07 -1.26 -4.90 119.66 111.79 1qvc s GLN 16 Ca 0.09 -0.93 -0.26 0.00 -1.82 0.00 0.00 55.36 52.44 1qvc s GLN 16 Cb 0.13 0.43 -0.09 0.00 -1.09 0.00 0.00 33.01 32.39 1qvc s GLN 16 CO 0.65 -0.69 1.30 -0.51 -1.32 0.00 0.00 175.29 174.72 1qvc s ASP 17 N -3.25 6.40 -0.58 12.60 -0.00 -1.26 -4.22 116.67 126.36 1qvc s ASP 17 Ca 0.19 2.65 -0.26 0.00 -0.00 0.00 0.00 52.55 55.12 1qvc s ASP 17 Cb -0.03 -2.64 -0.09 0.00 -0.00 0.00 0.00 42.92 40.16 1qvc s ASP 17 CO 0.06 -0.79 2.44 -2.65 -0.00 0.00 0.00 175.17 174.23 1qvc n PRO 18 N 0.24 0.88 -2.02 8.23 -0.02 -1.26 -4.85 135.00 136.19 1qvc n PRO 18 Ca 0.03 -0.13 -0.26 0.00 -2.02 0.00 0.00 63.50 61.12 1qvc n PRO 18 Cb 0.43 -3.31 -0.06 0.00 -0.02 0.00 0.00 33.50 30.54 1qvc n PRO 18 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1qvc s GLU 19 N 8.42 2.40 0.32 -0.52 2.12 -1.03 -4.74 118.70 125.67 1qvc s GLU 19 Ca 1.01 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 55.40 1qvc s GLU 19 Cb -0.26 -5.16 -0.07 0.00 0.26 0.00 0.00 34.13 28.90 1qvc s GLU 19 CO 0.26 -3.93 0.67 0.08 -0.54 0.00 0.00 175.26 171.80 1qvc s VAL 20 N 11.26 4.82 -0.28 3.70 1.01 -1.26 -2.39 120.40 137.26 1qvc s VAL 20 Ca 0.70 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 1qvc s VAL 20 Cb -0.03 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.77 1qvc s VAL 20 CO 0.09 -0.27 0.72 -0.60 0.00 0.00 0.00 175.10 175.05 1qvc s ARG 21 N -3.26 0.70 0.00 2.72 6.06 -0.61 -5.00 118.95 119.56 1qvc s ARG 21 Ca 0.50 1.15 0.00 0.00 -2.50 0.00 0.00 55.73 54.88 1qvc s ARG 21 Cb -0.11 0.17 0.00 0.00 0.06 0.00 0.00 34.95 35.08 1qvc s ARG 21 CO 0.24 -0.14 0.00 0.66 -2.50 0.00 0.00 175.30 173.56 1qvc n TYR 22 N 4.03 -3.39 0.00 5.12 4.02 -1.26 -2.63 117.16 123.05 1qvc n TYR 22 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1qvc n TYR 22 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 1qvc n TYR 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qvc n MET 23 N -0.88 0.00 0.00 -0.72 0.00 -1.24 -4.86 117.12 109.42 1qvc n MET 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1qvc n MET 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1qvc n MET 23 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1qvc n PRO 24 N -0.24 0.00 0.00 3.17 -0.02 -1.26 -3.98 135.00 132.66 1qvc n PRO 24 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1qvc n PRO 24 Cb 0.00 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1qvc n PRO 24 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1qvc n ASN 25 N -0.71 0.00 -4.77 2.55 2.85 -1.26 -4.61 115.26 109.31 1qvc n ASN 25 Ca 0.00 0.69 -0.41 0.00 -0.11 0.00 0.00 54.58 54.75 1qvc n ASN 25 Cb 0.00 -0.19 -0.02 0.00 1.24 0.00 0.00 39.78 40.82 1qvc n ASN 25 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1qvc s GLY 26 N -0.37 2.97 0.00 8.20 0.00 -1.26 -5.02 107.32 111.84 1qvc s GLY 26 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.05 1qvc s GLY 26 CO 0.00 2.00 0.00 0.61 0.00 0.00 0.00 173.10 175.71 1qvc n GLY 27 N 0.77 -2.85 3.78 0.20 0.00 -1.26 -3.94 105.19 101.89 1qvc n GLY 27 Ca 0.00 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1qvc n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvc s ALA 28 N -2.15 3.53 0.07 4.61 0.00 -1.26 -3.65 121.76 122.92 1qvc s ALA 28 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.01 1qvc s ALA 28 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1qvc s ALA 28 CO 0.00 0.25 -0.15 0.08 0.00 0.00 0.00 175.76 175.94 1qvc s VAL 29 N -0.48 1.23 -0.22 0.00 1.01 -1.08 -2.17 120.40 118.68 1qvc s VAL 29 Ca 0.29 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1qvc s VAL 29 Cb -0.18 -1.16 0.08 0.00 0.00 0.00 0.00 36.38 35.12 1qvc s VAL 29 CO 0.17 -0.17 0.52 0.00 0.00 0.00 0.00 175.10 175.61 1qvc s ALA 30 N -1.22 -1.41 -0.18 5.51 0.00 -0.68 -1.57 121.76 122.20 1qvc s ALA 30 Ca -0.00 1.86 -0.07 0.00 0.00 0.00 0.00 51.96 53.75 1qvc s ALA 30 Cb -0.10 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1qvc s ALA 30 CO 0.03 -0.48 0.06 -0.80 0.00 0.00 0.00 175.76 174.56 1qvc s ASN 31 N 1.91 5.57 0.21 0.00 0.02 -1.00 -0.96 114.94 120.68 1qvc s ASN 31 Ca -0.08 0.07 0.04 0.00 -1.02 0.00 0.00 52.86 51.87 1qvc s ASN 31 Cb -0.09 -1.95 -0.05 0.00 0.02 0.00 0.00 41.25 39.18 1qvc s ASN 31 CO -0.15 0.17 -0.03 0.27 0.02 0.00 0.00 177.10 177.37 1qvc s ILE 32 N 0.38 1.09 -0.07 0.60 -4.36 -0.58 -2.46 121.20 115.80 1qvc s ILE 32 Ca 0.03 -2.05 0.06 0.00 -0.26 0.00 0.00 60.65 58.43 1qvc s ILE 32 Cb -0.12 -2.20 -0.01 0.00 1.25 0.00 0.00 42.46 41.38 1qvc s ILE 32 CO 0.00 -0.45 -0.24 -0.89 0.24 0.00 0.00 174.94 173.60 1qvc s THR 33 N -3.38 2.02 -0.02 8.37 2.01 -1.26 -1.64 115.64 121.73 1qvc s THR 33 Ca 0.25 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1qvc s THR 33 Cb 0.05 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 1qvc s THR 33 CO 0.06 0.56 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.18 1qvc s LEU 34 N -0.05 1.99 0.06 4.42 0.20 -0.33 -1.19 118.68 123.78 1qvc s LEU 34 Ca -0.07 -0.29 0.06 0.00 0.69 0.00 0.00 54.13 54.52 1qvc s LEU 34 Cb -0.15 -0.82 -0.04 0.00 -0.43 0.00 0.00 46.19 44.76 1qvc s LEU 34 CO 0.05 0.18 -0.11 0.00 -0.29 0.00 0.00 176.35 176.18 1qvc s ALA 35 N -0.27 2.89 0.05 5.97 0.00 -0.97 0.84 121.76 130.28 1qvc s ALA 35 Ca 0.04 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1qvc s ALA 35 Cb -0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1qvc s ALA 35 CO -0.00 0.62 0.08 0.95 0.00 0.00 0.00 175.76 177.41 1qvc s THR 36 N -1.07 0.15 0.14 0.00 -4.23 -0.66 -3.21 115.64 106.75 1qvc s THR 36 Ca 0.18 -1.27 -0.10 0.00 -1.18 0.00 0.00 61.69 59.33 1qvc s THR 36 Cb -0.11 -1.12 -0.00 0.00 1.34 0.00 0.00 72.50 72.61 1qvc s THR 36 CO 0.10 -0.70 0.27 -0.44 -0.54 0.00 0.00 174.62 173.31 1qvc s SER 37 N -2.45 0.04 -0.17 3.99 0.01 -1.26 -0.50 113.70 113.36 1qvc s SER 37 Ca -0.00 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 1qvc s SER 37 Cb 0.02 0.42 0.05 0.00 0.21 0.00 0.00 66.02 66.72 1qvc s SER 37 CO -0.07 -0.85 0.42 -1.83 0.41 0.00 0.00 173.24 171.31 1qvc s GLU 38 N -3.92 0.43 -0.03 12.44 -1.05 -1.25 -5.02 118.70 120.29 1qvc s GLU 38 Ca 0.13 0.73 0.01 0.00 -0.15 0.00 0.00 54.97 55.69 1qvc s GLU 38 Cb 0.03 0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1qvc s GLU 38 CO -0.04 -0.13 -0.05 -1.12 0.95 0.00 0.00 175.26 174.87 1qvc s SER 39 N 1.03 0.91 0.09 0.83 0.01 -1.26 -3.43 113.70 111.88 1qvc s SER 39 Ca -0.07 -0.13 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 1qvc s SER 39 Cb -0.07 -0.37 -0.06 0.00 0.21 0.00 0.00 66.02 65.74 1qvc s SER 39 CO -0.09 -0.02 0.47 -1.66 0.41 0.00 0.00 173.24 172.35 1qvc s TRP 40 N 0.63 3.64 -1.67 2.43 -2.14 -1.26 -4.97 118.94 115.60 1qvc s TRP 40 Ca -0.08 0.96 0.00 0.00 2.66 0.00 0.00 56.10 59.63 1qvc s TRP 40 Cb -0.12 -2.28 0.00 0.00 -3.10 0.00 0.00 33.47 27.97 1qvc s TRP 40 CO 0.00 0.52 0.57 2.89 -2.66 0.00 0.00 176.95 178.27 1qvc n ARG 41 N 1.10 0.68 0.00 3.25 0.00 -1.26 -4.18 116.66 116.26 1qvc n ARG 41 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1qvc n ARG 41 Cb 0.52 -1.11 0.00 0.00 -0.00 0.00 0.00 32.46 31.87 1qvc n ARG 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1qvc n ASP 42 N -0.28 0.00 -3.65 2.89 9.92 -1.26 -4.96 116.55 119.21 1qvc n ASP 42 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1qvc n ASP 42 Cb 0.06 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.47 1qvc n ASP 42 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1qvc s LYS 43 N 0.00 0.04 -0.00 -1.24 -2.85 -1.26 -4.35 119.74 110.08 1qvc s LYS 43 Ca 0.00 0.05 -0.07 0.00 -1.00 0.00 0.00 55.97 54.96 1qvc s LYS 43 Cb 0.00 0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 35.77 1qvc s LYS 43 CO 0.00 -0.01 -0.13 0.00 0.10 0.00 0.00 175.35 175.32 1qvc n ALA 44 N 1.77 2.20 -0.16 0.59 0.00 -1.24 -4.86 120.51 118.81 1qvc n ALA 44 Ca -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1qvc n ALA 44 Cb 0.57 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1qvc n ALA 44 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1qvc n THR 45 N -3.82 0.00 0.00 0.00 5.66 -1.26 -5.04 114.28 109.82 1qvc n THR 45 Ca -0.05 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1qvc n THR 45 Cb 0.19 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 1qvc n THR 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qvc n GLY 46 N 0.00 -1.76 0.00 1.09 0.00 -1.26 -5.15 105.19 98.11 1qvc n GLY 46 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1qvc n GLY 46 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qvc n GLU 47 N 0.00 1.09 0.00 1.61 0.28 -1.26 -4.84 120.64 117.52 1qvc n GLU 47 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1qvc n GLU 47 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1qvc n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qvc n MET 48 N -0.36 3.99 -4.33 3.44 0.00 -1.26 -3.67 117.12 114.92 1qvc n MET 48 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.52 1qvc n MET 48 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 1qvc n MET 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1qvc s LYS 49 N 3.98 1.58 -0.10 3.17 -0.14 -1.26 -4.91 119.74 122.06 1qvc s LYS 49 Ca 0.00 -1.90 -0.09 0.00 -1.36 0.00 0.00 55.97 52.62 1qvc s LYS 49 Cb 0.00 -0.06 0.03 0.00 -1.68 0.00 0.00 37.83 36.12 1qvc s LYS 49 CO 0.00 -0.46 0.26 -2.00 -0.76 0.00 0.00 175.35 172.39 1qvc s GLU 50 N -3.82 0.30 -0.37 1.68 2.12 -1.26 -4.36 118.70 113.00 1qvc s GLU 50 Ca 0.36 0.36 0.03 0.00 0.36 0.00 0.00 54.97 56.08 1qvc s GLU 50 Cb 0.05 0.15 0.15 0.00 0.26 0.00 0.00 34.13 34.74 1qvc s GLU 50 CO 0.18 -0.04 0.35 -1.14 -0.54 0.00 0.00 175.26 174.07 1qvc s GLN 51 N 0.14 0.65 0.21 4.30 0.74 -1.22 -5.05 119.66 119.42 1qvc s GLN 51 Ca -0.00 -1.05 -0.17 0.00 0.05 0.00 0.00 55.36 54.19 1qvc s GLN 51 Cb -0.02 -0.88 -0.08 0.00 1.10 0.00 0.00 33.01 33.14 1qvc s GLN 51 CO 0.00 -1.21 0.67 0.95 -0.55 0.00 0.00 175.29 175.15 1qvc s THR 52 N 1.25 4.67 -0.03 -0.34 -4.23 -1.26 -3.83 115.64 111.87 1qvc s THR 52 Ca 0.18 1.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1qvc s THR 52 Cb -0.16 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1qvc s THR 52 CO -0.02 0.18 0.01 -1.61 -0.54 0.00 0.00 174.62 172.63 1qvc s GLU 53 N -2.08 2.88 -0.13 3.99 0.41 0.35 -4.94 118.70 119.18 1qvc s GLU 53 Ca 0.42 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 1qvc s GLU 53 Cb -0.15 -2.73 -0.01 0.00 -1.78 0.00 0.00 34.13 29.45 1qvc s GLU 53 CO 0.20 0.65 -0.14 -1.58 -0.49 0.00 0.00 175.26 173.91 1qvc s TRP 54 N -1.02 2.80 -0.06 1.61 0.52 -1.25 -1.66 118.94 119.87 1qvc s TRP 54 Ca 0.18 -0.66 0.03 0.00 0.02 0.00 0.00 56.10 55.66 1qvc s TRP 54 Cb -0.11 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.34 1qvc s TRP 54 CO 0.08 -0.22 -0.12 -1.01 0.02 0.00 0.00 176.95 175.69 1qvc s HIS 55 N 0.34 2.76 -0.39 -1.98 3.76 0.25 -4.91 115.29 115.12 1qvc s HIS 55 Ca -0.11 -0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 1qvc s HIS 55 Cb -0.16 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 31.88 1qvc s HIS 55 CO 0.06 0.20 0.54 1.03 -0.85 0.00 0.00 174.74 175.72 1qvc s ARG 56 N -0.69 3.40 -0.03 1.40 3.00 -1.26 -1.19 118.95 123.59 1qvc s ARG 56 Ca 0.10 -0.35 0.01 0.00 0.00 0.00 0.00 55.73 55.50 1qvc s ARG 56 Cb -0.11 -3.89 -0.03 0.00 0.00 0.00 0.00 34.95 30.92 1qvc s ARG 56 CO 0.01 -0.80 -0.04 0.08 0.00 0.00 0.00 175.30 174.55 1qvc s VAL 57 N 2.48 3.91 -0.09 3.52 1.01 -0.65 0.13 120.40 130.71 1qvc s VAL 57 Ca 0.19 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1qvc s VAL 57 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1qvc s VAL 57 CO 0.15 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 174.82 1qvc s VAL 58 N -0.97 1.79 0.09 2.92 1.01 0.22 -1.52 120.40 123.95 1qvc s VAL 58 Ca 0.16 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1qvc s VAL 58 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1qvc s VAL 58 CO 0.06 0.50 -0.15 -0.76 0.00 0.00 0.00 175.10 174.75 1qvc s LEU 59 N 0.40 2.79 0.24 3.92 1.43 -0.13 0.58 118.68 127.90 1qvc s LEU 59 Ca -0.17 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1qvc s LEU 59 Cb -0.17 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1qvc s LEU 59 CO 0.07 0.20 0.02 -0.36 0.23 0.00 0.00 176.35 176.52 1qvc s PHE 60 N -1.10 1.54 0.00 0.29 0.08 -1.17 -1.69 117.98 115.93 1qvc s PHE 60 Ca 0.18 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.24 1qvc s PHE 60 Cb -0.11 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.44 1qvc s PHE 60 CO 0.10 -0.12 0.00 0.41 -0.10 0.00 0.00 175.22 175.50 1qvc n GLY 61 N -0.43 1.00 0.38 4.36 0.00 -0.92 -3.00 105.19 106.58 1qvc n GLY 61 Ca -0.04 -0.64 0.18 0.00 0.00 0.00 0.00 46.02 45.52 1qvc n GLY 61 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qvc h LYS 62 N 0.00 0.16 -0.43 1.61 3.64 -1.99 -1.99 116.57 117.57 1qvc h LYS 62 Ca 0.00 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1qvc h LYS 62 Cb 0.00 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 1qvc h LYS 62 CO 0.00 0.10 0.07 -0.07 -2.27 0.00 0.00 179.45 177.29 1qvc h LEU 63 N 0.16 -0.02 -1.69 5.20 -0.00 -1.94 -0.28 115.31 116.74 1qvc h LEU 63 Ca 0.29 0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 58.21 1qvc h LEU 63 Cb 0.91 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 1qvc h LEU 63 CO -0.04 0.02 -0.18 0.00 -0.00 0.00 0.00 178.44 178.24 1qvc h ALA 64 N 1.34 1.55 -0.01 1.53 0.00 -1.37 -0.17 119.26 122.13 1qvc h ALA 64 Ca 0.21 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1qvc h ALA 64 Cb 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1qvc h ALA 64 CO -0.29 0.23 -0.77 0.93 0.00 0.00 0.00 179.25 179.35 1qvc h GLU 65 N 0.00 0.54 -0.65 0.00 5.08 -1.32 -2.69 114.58 115.54 1qvc h GLU 65 Ca -0.00 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 1qvc h GLU 65 Cb 0.35 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1qvc h GLU 65 CO 0.02 1.19 0.32 0.28 -1.00 0.00 0.00 179.01 179.82 1qvc h VAL 66 N 0.11 1.22 -0.46 3.13 2.07 -0.69 -1.36 116.25 120.27 1qvc h VAL 66 Ca -0.09 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1qvc h VAL 66 Cb 1.45 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1qvc h VAL 66 CO 0.15 0.25 0.23 0.00 0.02 0.00 0.00 177.57 178.22 1qvc h ALA 67 N 1.14 0.57 -0.16 1.67 0.00 -1.05 0.10 119.26 121.55 1qvc h ALA 67 Ca 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1qvc h ALA 67 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1qvc h ALA 67 CO -0.03 -0.12 0.06 1.03 0.00 0.00 0.00 179.25 180.19 1qvc h SER 68 N 0.46 0.22 -0.15 0.00 0.87 -1.12 0.29 113.55 114.12 1qvc h SER 68 Ca 0.20 -0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 60.39 1qvc h SER 68 Cb 0.10 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1qvc h SER 68 CO -0.14 0.33 -0.66 -0.33 -0.53 0.00 0.00 176.83 175.50 1qvc h GLU 69 N 0.10 0.77 0.00 2.24 5.08 -1.05 -3.40 114.58 118.32 1qvc h GLU 69 Ca 0.05 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1qvc h GLU 69 Cb 0.18 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1qvc h GLU 69 CO -0.00 1.18 -0.77 0.66 -1.00 0.00 0.00 179.01 179.07 1qvc n TYR 70 N -3.96 0.00 -3.02 4.33 4.01 0.34 -5.02 117.16 113.84 1qvc n TYR 70 Ca -0.05 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.29 1qvc n TYR 70 Cb 0.68 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.60 1qvc n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1qvc s LEU 71 N -2.84 4.40 0.15 7.72 1.43 0.10 -5.02 118.68 124.62 1qvc s LEU 71 Ca -0.00 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.51 1qvc s LEU 71 Cb 0.03 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1qvc s LEU 71 CO 0.19 -0.03 -0.17 -0.13 0.23 0.00 0.00 176.35 176.45 1qvc s ARG 72 N 0.24 1.18 0.12 1.70 1.81 -1.26 -4.51 118.95 118.22 1qvc s ARG 72 Ca 0.38 -1.35 -0.33 0.00 -1.72 0.00 0.00 55.73 52.70 1qvc s ARG 72 Cb -0.19 -1.16 -0.13 0.00 -0.45 0.00 0.00 34.95 33.01 1qvc s ARG 72 CO 0.21 0.23 1.67 1.17 -0.68 0.00 0.00 175.30 177.90 1qvc n LYS 73 N 0.36 2.28 0.00 3.54 4.81 -1.26 -0.53 118.16 127.36 1qvc n LYS 73 Ca -0.14 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1qvc n LYS 73 Cb 0.57 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1qvc n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qvc n GLY 74 N 3.73 3.02 3.77 3.14 0.00 -0.55 -4.92 105.19 113.38 1qvc n GLY 74 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1qvc n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qvc n SER 75 N 0.00 3.81 -4.70 1.61 7.64 0.31 -4.52 113.62 117.78 1qvc n SER 75 Ca 0.00 1.21 -0.37 0.00 1.01 0.00 0.00 58.87 60.72 1qvc n SER 75 Cb 0.00 -1.62 -0.08 0.00 -1.01 0.00 0.00 64.21 61.51 1qvc n SER 75 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1qvc s GLN 76 N -1.79 4.20 0.17 1.43 0.74 -1.26 -2.21 119.66 120.93 1qvc s GLN 76 Ca 0.55 0.04 0.03 0.00 0.05 0.00 0.00 55.36 56.03 1qvc s GLN 76 Cb -0.48 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.11 1qvc s GLN 76 CO 0.61 0.13 -0.04 0.14 -0.55 0.00 0.00 175.29 175.58 1qvc s VAL 77 N 0.81 0.88 -0.11 1.34 -7.23 -0.65 0.53 120.40 115.97 1qvc s VAL 77 Ca 0.15 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1qvc s VAL 77 Cb -0.13 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 1qvc s VAL 77 CO 0.05 -0.57 -0.11 -0.47 -0.31 0.00 0.00 175.10 173.68 1qvc s TYR 78 N -3.52 2.83 0.10 2.82 5.04 0.15 -2.46 117.35 122.32 1qvc s TYR 78 Ca 0.21 -0.38 0.06 0.00 -2.44 0.00 0.00 57.07 54.52 1qvc s TYR 78 Cb 0.05 -1.79 -0.03 0.00 0.35 0.00 0.00 41.96 40.53 1qvc s TYR 78 CO 0.03 -0.01 -0.15 0.42 -1.34 0.00 0.00 175.55 174.50 1qvc s ILE 79 N -0.07 1.31 -0.14 3.14 -1.09 0.14 -1.24 121.20 123.24 1qvc s ILE 79 Ca -0.01 -1.57 -0.04 0.00 -2.23 0.00 0.00 60.65 56.79 1qvc s ILE 79 Cb -0.14 -1.40 0.07 0.00 -1.58 0.00 0.00 42.46 39.42 1qvc s ILE 79 CO 0.03 -0.32 0.25 -1.61 -1.23 0.00 0.00 174.94 172.07 1qvc s GLU 80 N -2.31 0.15 0.00 2.79 2.02 -0.44 -1.12 118.70 119.80 1qvc s GLU 80 Ca 0.05 0.63 0.00 0.00 0.02 0.00 0.00 54.97 55.68 1qvc s GLU 80 Cb -0.07 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.89 1qvc s GLU 80 CO 0.03 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.35 1qvc n GLY 81 N 5.34 2.73 3.35 -1.39 0.00 -0.56 -1.40 105.19 113.26 1qvc n GLY 81 Ca -0.06 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 1qvc n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qvc s GLN 82 N -0.98 1.31 0.02 1.61 -2.07 0.18 -0.46 119.66 119.27 1qvc s GLN 82 Ca 0.00 -1.41 -0.28 0.00 -1.82 0.00 0.00 55.36 51.86 1qvc s GLN 82 Cb 0.00 -1.43 -0.04 0.00 -1.09 0.00 0.00 33.01 30.44 1qvc s GLN 82 CO 0.00 0.30 0.88 -0.51 -1.32 0.00 0.00 175.29 174.64 1qvc s LEU 83 N -2.59 4.41 -0.08 2.60 1.43 -1.26 -0.22 118.68 122.97 1qvc s LEU 83 Ca 0.16 1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1qvc s LEU 83 Cb -0.07 -3.42 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1qvc s LEU 83 CO 0.07 -0.14 0.02 -0.60 0.23 0.00 0.00 176.35 175.93 1qvc s ARG 84 N 0.53 0.48 -0.29 1.70 3.52 0.68 -4.94 118.95 120.64 1qvc s ARG 84 Ca 0.46 0.11 -0.13 0.00 -0.13 0.00 0.00 55.73 56.03 1qvc s ARG 84 Cb -0.21 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.13 1qvc s ARG 84 CO 0.26 -0.35 0.29 0.99 -0.81 0.00 0.00 175.30 175.68 1qvc s THR 85 N 2.00 5.23 -0.11 4.11 2.01 -1.26 -0.66 115.64 126.97 1qvc s THR 85 Ca 0.04 0.31 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1qvc s THR 85 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1qvc s THR 85 CO -0.05 0.15 -0.07 0.00 -0.69 0.00 0.00 174.62 173.96 1qvc s ARG 86 N 1.93 3.18 0.21 4.92 1.70 0.93 -4.92 118.95 126.89 1qvc s ARG 86 Ca 0.11 -0.57 -0.09 0.00 -0.47 0.00 0.00 55.73 54.72 1qvc s ARG 86 Cb -0.16 -2.70 -0.07 0.00 -0.57 0.00 0.00 34.95 31.45 1qvc s ARG 86 CO 0.11 0.44 0.51 0.21 -1.08 0.00 0.00 175.30 175.49 1qvc s LYS 87 N -0.20 3.77 0.00 3.89 2.20 -1.26 -0.70 119.74 127.44 1qvc s LYS 87 Ca 0.02 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1qvc s LYS 87 Cb -0.13 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1qvc s LYS 87 CO 0.03 0.35 0.00 -2.67 -0.36 0.00 0.00 175.35 172.70 1qvc n TRP 88 N -0.06 -0.25 0.00 4.03 4.27 0.14 -4.97 117.44 120.59 1qvc n TRP 88 Ca -0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1qvc n TRP 88 Cb 0.52 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 1qvc n TRP 88 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 1qvc n THR 89 N 0.00 0.00 -0.02 -1.67 5.66 -1.26 -0.41 114.28 116.57 1qvc n THR 89 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1qvc n THR 89 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 1qvc n THR 89 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1qvc n ASP 90 N 0.00 2.28 0.04 1.09 5.75 -1.26 -4.83 116.55 119.62 1qvc n ASP 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1qvc n ASP 90 Cb 0.00 1.25 0.00 0.00 -1.03 0.00 0.00 41.12 41.34 1qvc n ASP 90 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1qvc n GLN 91 N -2.10 0.00 -3.80 0.11 7.27 -1.26 -5.16 117.38 112.43 1qvc n GLN 91 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1qvc n GLN 91 Cb 0.52 -0.48 0.00 0.00 2.41 0.00 0.00 30.24 32.69 1qvc n GLN 91 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1qvc n SER 92 N -3.35 0.00 0.00 1.69 2.88 -1.26 -5.02 113.62 108.56 1qvc n SER 92 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qvc n SER 92 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1qvc n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qvc n GLY 93 N -0.34 1.93 1.41 0.46 0.00 -1.26 -4.72 105.19 102.68 1qvc n GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qvc n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qvc n GLN 94 N -2.00 -4.00 -4.68 1.61 6.02 -1.26 -5.04 117.38 108.03 1qvc n GLN 94 Ca 0.00 2.93 -0.26 0.00 -0.01 0.00 0.00 57.00 59.65 1qvc n GLN 94 Cb 0.00 -3.25 -0.14 0.00 1.02 0.00 0.00 30.24 27.87 1qvc n GLN 94 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qvc s ASP 95 N -2.38 2.57 -0.19 1.08 -0.00 0.45 -4.96 116.67 113.25 1qvc s ASP 95 Ca 0.00 -0.53 0.01 0.00 -0.00 0.00 0.00 52.55 52.02 1qvc s ASP 95 Cb 0.00 -0.22 0.04 0.00 -0.00 0.00 0.00 42.92 42.74 1qvc s ASP 95 CO 0.00 0.17 -0.12 -0.13 -0.00 0.00 0.00 175.17 175.09 1qvc s ARG 96 N -1.20 2.19 -0.14 8.23 0.52 -1.26 0.25 118.95 127.54 1qvc s ARG 96 Ca 0.08 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 54.43 1qvc s ARG 96 Cb -0.09 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 1qvc s ARG 96 CO 0.02 -0.38 -0.02 0.71 0.02 0.00 0.00 175.30 175.64 1qvc s TYR 97 N 1.38 3.06 -0.27 -0.53 2.02 0.12 -4.94 117.35 118.20 1qvc s TYR 97 Ca -0.00 -0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.47 1qvc s TYR 97 Cb -0.16 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1qvc s TYR 97 CO -0.09 0.11 0.11 0.99 -1.57 0.00 0.00 175.55 175.10 1qvc s THR 98 N 0.03 4.57 0.20 -0.71 2.01 -1.26 -0.05 115.64 120.43 1qvc s THR 98 Ca 0.01 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1qvc s THR 98 Cb -0.13 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1qvc s THR 98 CO 0.02 0.27 -0.03 0.42 -0.69 0.00 0.00 174.62 174.61 1qvc s THR 99 N 1.64 1.08 -0.43 -0.82 -4.23 0.17 -4.68 115.64 108.37 1qvc s THR 99 Ca 0.06 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.32 1qvc s THR 99 Cb -0.16 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.52 1qvc s THR 99 CO 0.06 -0.46 0.65 -0.70 -0.54 0.00 0.00 174.62 173.64 1qvc s GLU 100 N -3.83 3.34 -0.24 3.99 -6.30 0.12 -0.23 118.70 115.55 1qvc s GLU 100 Ca 0.25 -0.30 -0.12 0.00 -2.50 0.00 0.00 54.97 52.30 1qvc s GLU 100 Cb 0.05 -3.93 -0.05 0.00 0.00 0.00 0.00 34.13 30.20 1qvc s GLU 100 CO 0.06 -0.99 0.22 0.08 0.02 0.00 0.00 175.26 174.65 1qvc s VAL 101 N 2.85 5.32 -0.27 3.70 1.01 0.70 0.71 120.40 134.42 1qvc s VAL 101 Ca 0.23 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1qvc s VAL 101 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1qvc s VAL 101 CO 0.19 0.31 0.08 -0.69 0.00 0.00 0.00 175.10 174.99 1qvc s VAL 102 N 1.20 4.21 0.00 2.92 1.01 0.20 -0.65 120.40 129.29 1qvc s VAL 102 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1qvc s VAL 102 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1qvc s VAL 102 CO 0.06 0.24 0.00 0.55 0.00 0.00 0.00 175.10 175.95 1qvc n VAL 103 N 4.91 0.00 0.00 2.92 3.14 -1.26 -3.07 118.33 124.97 1qvc n VAL 103 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1qvc n VAL 103 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 1qvc n VAL 103 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qvc n ASN 104 N -0.07 0.00 0.28 6.55 5.03 -1.26 0.31 115.26 126.09 1qvc n ASN 104 Ca 0.00 0.00 0.18 0.00 0.87 0.00 0.00 54.58 55.63 1qvc n ASN 104 Cb 0.00 0.00 0.95 0.00 -1.02 0.00 0.00 39.78 39.71 1qvc n ASN 104 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1qvc h VAL 105 N 0.00 0.34 -3.59 2.41 -1.51 -1.99 -3.43 116.25 108.49 1qvc h VAL 105 Ca 0.00 0.00 -0.44 0.00 -1.23 0.00 0.00 66.70 65.03 1qvc h VAL 105 Cb 0.00 0.91 0.18 0.00 -2.13 0.00 0.00 31.29 30.25 1qvc h VAL 105 CO 0.00 0.00 0.11 -0.83 -1.23 0.00 0.00 177.57 175.62 1qvc s GLY 106 N -4.05 1.55 0.14 5.19 0.00 0.90 -4.98 107.32 106.07 1qvc s GLY 106 Ca -0.05 -0.35 -0.22 0.00 0.00 0.00 0.00 44.72 44.10 1qvc s GLY 106 CO 0.49 0.34 0.55 -0.32 0.00 0.00 0.00 173.10 174.16 1qvc s GLY 107 N -3.14 -0.52 -0.05 0.20 0.00 -0.50 -4.71 107.32 98.61 1qvc s GLY 107 Ca 0.67 0.40 -0.02 0.00 0.00 0.00 0.00 44.72 45.77 1qvc s GLY 107 CO 0.60 0.09 0.11 -1.08 0.00 0.00 0.00 173.10 172.81 1qvc s THR 108 N -3.57 -0.06 -0.04 0.90 -1.32 -1.26 -1.32 115.64 108.97 1qvc s THR 108 Ca 0.01 0.20 0.02 0.00 -1.21 0.00 0.00 61.69 60.70 1qvc s THR 108 Cb -0.00 -0.19 0.01 0.00 -1.51 0.00 0.00 72.50 70.81 1qvc s THR 108 CO -0.11 0.08 -0.09 -0.32 -2.21 0.00 0.00 174.62 171.97 1qvc s MET 109 N 1.16 1.08 0.02 7.08 1.75 -0.38 -4.96 119.30 125.06 1qvc s MET 109 Ca -0.09 -0.28 -0.30 0.00 -1.25 0.00 0.00 55.69 53.77 1qvc s MET 109 Cb -0.12 -0.98 -0.05 0.00 2.84 0.00 0.00 34.83 36.51 1qvc s MET 109 CO -0.05 0.05 1.29 -0.65 -0.65 0.00 0.00 175.02 175.01 1qvc s GLN 110 N 0.46 4.35 0.00 4.11 -1.52 -1.26 -0.68 119.66 125.12 1qvc s GLN 110 Ca -0.08 1.85 0.00 0.00 -1.95 0.00 0.00 55.36 55.18 1qvc s GLN 110 Cb -0.11 -3.45 0.00 0.00 -0.22 0.00 0.00 33.01 29.22 1qvc s GLN 110 CO 0.01 -0.42 0.00 -1.33 -0.25 0.00 0.00 175.29 173.30 1qvc n MET 111 N 4.67 0.00 -0.66 2.91 2.81 0.19 -4.93 117.12 122.11 1qvc n MET 111 Ca 0.11 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.09 1qvc n MET 111 Cb 0.45 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.94 1qvc n MET 111 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1qvc n LEU 112 N 0.00 0.00 0.00 4.03 4.32 -1.26 -4.96 117.00 119.13 1qvc n LEU 112 Ca 0.00 0.71 0.00 0.00 -0.02 0.00 0.00 56.01 56.70 1qvc n LEU 112 Cb 0.00 -2.19 0.00 0.00 -1.62 0.00 0.00 43.42 39.61 1qvc n LEU 112 CO 0.00 -1.45 0.00 0.61 -1.22 0.00 0.00 177.39 175.33 1qvc n GLY 113 N -2.12 -0.51 0.00 -0.72 0.00 -1.26 -5.11 105.19 95.46 1qvc n GLY 113 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1qvc n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvc n GLY 114 N 0.00 -0.55 0.00 -0.02 0.00 -1.26 -5.19 105.19 98.17 1qvc n GLY 114 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1qvc n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qvc n ARG 115 N 0.00 0.00 0.31 1.61 1.74 -1.26 -5.08 116.66 113.98 1qvc n ARG 115 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1qvc n ARG 115 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1qvc n ARG 115 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1qvc h GLN 116 N 0.00 -0.75 -2.37 5.56 4.15 -2.08 -3.49 115.11 116.14 1qvc h GLN 116 Ca 0.00 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1qvc h GLN 116 Cb 0.00 0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1qvc h GLN 116 CO 0.00 -0.50 0.00 0.41 -1.93 0.00 0.00 178.83 176.81 1qvc n GLY 117 N -1.30 0.23 3.35 2.39 0.00 -1.26 -5.00 105.19 103.59 1qvc n GLY 117 Ca -0.10 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1qvc n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvc n GLY 118 N -0.90 -2.43 0.12 -0.02 0.00 -1.26 -4.93 105.19 95.78 1qvc n GLY 118 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 1qvc n GLY 118 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qvc h GLY 119 N 0.02 -0.35 -5.96 -0.02 0.00 -2.04 -3.40 103.07 91.32 1qvc h GLY 119 Ca -0.43 0.13 -0.53 0.00 0.00 0.00 0.00 47.33 46.50 1qvc h GLY 119 CO 0.43 -0.13 -1.09 0.00 0.00 0.00 0.00 176.54 175.76 1qvc n ALA 120 N -2.17 2.50 -0.14 3.60 0.00 -1.26 -4.94 120.51 118.11 1qvc n ALA 120 Ca -0.04 -3.58 -0.11 0.00 0.00 0.00 0.00 53.44 49.71 1qvc n ALA 120 Cb 0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1qvc n ALA 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qvc h PRO 121 N 3.47 0.73 0.00 0.00 0.11 -1.98 -3.43 132.00 130.90 1qvc h PRO 121 Ca 0.10 -0.25 -0.11 0.00 0.11 0.00 0.00 66.00 65.85 1qvc h PRO 121 Cb 0.88 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 31.81 1qvc h PRO 121 CO 0.53 0.83 -0.05 0.00 -0.21 0.00 0.00 178.00 179.10 1qvc n ALA 122 N -2.42 -2.92 0.00 -0.75 0.00 -1.26 -5.01 120.51 108.15 1qvc n ALA 122 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1qvc n ALA 122 Cb 0.31 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1qvc n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvc n GLY 123 N 0.89 0.00 0.00 0.00 0.00 -1.26 -5.16 105.19 99.66 1qvc n GLY 123 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qvc n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvc n GLY 124 N 0.11 1.52 2.80 -0.02 0.00 -1.26 -5.09 105.19 103.25 1qvc n GLY 124 Ca 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 1qvc n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qvc s ASN 125 N -0.29 0.20 -0.22 1.61 4.22 -1.26 -5.00 114.94 114.20 1qvc s ASN 125 Ca 0.00 0.01 -0.10 0.00 -2.14 0.00 0.00 52.86 50.63 1qvc s ASN 125 Cb 0.00 -0.12 0.09 0.00 1.28 0.00 0.00 41.25 42.49 1qvc s ASN 125 CO 0.00 -0.11 0.50 -0.51 -2.04 0.00 0.00 177.10 174.94 1qvc s ILE 126 N 0.98 -0.40 0.00 0.54 1.10 -1.26 -5.07 121.20 117.09 1qvc s ILE 126 Ca -0.09 0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1qvc s ILE 126 Cb -0.12 -0.76 0.00 0.00 0.15 0.00 0.00 42.46 41.73 1qvc s ILE 126 CO -0.02 0.04 0.00 0.61 -2.11 0.00 0.00 174.94 173.45 1qvc n GLY 127 N 4.86 -1.52 0.00 1.50 0.00 -1.26 -5.16 105.19 103.61 1qvc n GLY 127 Ca -0.16 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1qvc n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvc n GLY 128 N 0.00 -1.62 0.00 -0.02 0.00 -1.26 -5.03 105.19 97.26 1qvc n GLY 128 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1qvc n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvc n GLY 129 N -0.75 -1.85 0.04 -0.02 0.00 -1.26 -5.05 105.19 96.30 1qvc n GLY 129 Ca 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1qvc n GLY 129 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qvc n GLN 130 N -0.58 0.74 0.05 1.61 6.02 -1.26 -4.79 117.38 119.17 1qvc n GLN 130 Ca 0.00 0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 56.91 1qvc n GLN 130 Cb 0.00 -1.15 -0.05 0.00 1.02 0.00 0.00 30.24 30.05 1qvc n GLN 130 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1qvc h PRO 131 N 0.00 -0.45 -6.21 -1.09 0.11 -1.96 -3.39 132.00 119.00 1qvc h PRO 131 Ca -0.17 0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.43 1qvc h PRO 131 Cb 1.29 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.46 1qvc h PRO 131 CO -0.02 -0.30 1.25 -0.65 -0.21 0.00 0.00 178.00 178.07 1qvc s GLN 132 N -6.00 3.08 0.00 1.05 -0.21 -1.26 -3.58 119.66 112.75 1qvc s GLN 132 Ca -0.16 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.08 1qvc s GLN 132 Cb 0.09 -4.24 0.00 0.00 1.00 0.00 0.00 33.01 29.86 1qvc s GLN 132 CO 0.65 -2.18 0.00 0.41 -2.12 0.00 0.00 175.29 172.05 1qvc n GLY 133 N 5.46 0.96 3.84 3.09 0.00 -1.26 -4.93 105.19 112.34 1qvc n GLY 133 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1qvc n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qvc s GLY 134 N -1.89 1.53 0.00 -0.02 0.00 -1.23 -5.04 107.32 100.67 1qvc s GLY 134 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1qvc s GLY 134 CO 0.00 -1.32 0.00 0.79 0.00 0.00 0.00 173.10 172.57 1qvc n TRP 135 N -0.83 -0.96 -0.85 1.90 5.03 -1.26 -4.83 117.44 115.64 1qvc n TRP 135 Ca -0.08 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.16 1qvc n TRP 135 Cb 0.56 0.13 0.23 0.00 -1.03 0.00 0.00 31.31 31.20 1qvc n TRP 135 CO 0.00 0.00 0.00 0.20 -0.03 0.00 0.00 177.69 177.86 1qvc s GLY 136 N -2.52 1.54 0.24 6.99 0.00 -1.26 -4.93 107.32 107.37 1qvc s GLY 136 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 44.72 44.15 1qvc s GLY 136 CO 0.00 0.32 1.56 -1.61 0.00 0.00 0.00 173.10 173.37 1qvc h GLN 137 N -2.43 -0.02 -7.31 2.90 -0.00 -2.02 -3.41 115.11 102.81 1qvc h GLN 137 Ca -0.56 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 57.59 1qvc h GLN 137 Cb 1.33 0.00 0.14 0.00 0.00 0.00 0.00 27.48 28.96 1qvc h GLN 137 CO 0.50 -0.01 0.28 -1.25 0.00 0.00 0.00 178.83 178.35 1qvc s PRO 138 N -6.04 1.78 0.00 -2.39 0.04 -1.26 -5.04 135.00 122.09 1qvc s PRO 138 Ca -0.14 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1qvc s PRO 138 Cb 0.21 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1qvc s PRO 138 CO 0.73 -1.96 0.00 1.04 0.04 0.00 0.00 177.00 176.85 1qvc n GLN 139 N -3.73 0.00 -0.98 4.56 6.02 -1.26 -4.99 117.38 117.00 1qvc n GLN 139 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1qvc n GLN 139 Cb 0.53 -0.28 0.00 0.00 1.02 0.00 0.00 30.24 31.52 1qvc n GLN 139 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1qvc n GLN 140 N 0.00 -2.78 -0.43 -1.09 7.27 -1.26 -4.65 117.38 114.44 1qvc n GLN 140 Ca 0.00 2.08 -0.10 0.00 0.07 0.00 0.00 57.00 59.05 1qvc n GLN 140 Cb 0.00 -2.38 -0.05 0.00 2.41 0.00 0.00 30.24 30.22 1qvc n GLN 140 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1qvc n PRO 141 N -1.14 0.00 -3.64 3.69 -0.02 -1.26 -4.85 135.00 127.78 1qvc n PRO 141 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1qvc n PRO 141 Cb 0.05 -0.39 -0.07 0.00 -0.02 0.00 0.00 33.50 33.06 1qvc n PRO 141 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1qvc s GLN 142 N 2.44 0.56 0.15 -0.52 2.00 -1.26 -5.14 119.66 117.88 1qvc s GLN 142 Ca 0.39 0.69 -0.31 0.00 -2.00 0.00 0.00 55.36 54.12 1qvc s GLN 142 Cb -0.33 0.26 -0.10 0.00 0.80 0.00 0.00 33.01 33.64 1qvc s GLN 142 CO 0.15 -0.07 1.65 0.20 -0.50 0.00 0.00 175.29 176.72 1qvc s GLY 143 N 0.37 1.45 0.00 2.59 0.00 -1.26 -4.89 107.32 105.58 1qvc s GLY 143 Ca 0.01 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.14 1qvc s GLY 143 CO -0.06 2.81 0.20 0.61 0.00 0.00 0.00 173.10 176.66 1qvc n GLY 144 N 3.92 0.21 3.37 0.20 0.00 -1.26 -3.99 105.19 107.64 1qvc n GLY 144 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qvc n GLY 144 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02