#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhq s ASN 3 N 0.00 4.25 0.13 0.00 2.47 -1.26 -4.79 114.94 115.74 1qhq s ASN 3 Ca 0.00 0.63 -0.11 0.00 0.42 0.00 0.00 52.86 53.80 1qhq s ASN 3 Cb 0.00 -2.52 0.01 0.00 -1.45 0.00 0.00 41.25 37.29 1qhq s ASN 3 CO 0.00 -3.26 0.30 0.00 -3.72 0.00 0.00 177.10 170.42 1qhq s ALA 4 N 13.13 -0.39 1.02 1.71 0.00 -1.26 -4.81 121.76 131.16 1qhq s ALA 4 Ca 0.94 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1qhq s ALA 4 Cb -0.15 0.69 0.20 0.00 0.00 0.00 0.00 23.12 23.86 1qhq s ALA 4 CO 0.18 -0.62 1.08 -1.25 0.00 0.00 0.00 175.76 175.15 1qhq s PRO 5 N -3.88 0.28 0.00 0.00 0.04 -1.26 -4.24 135.00 125.93 1qhq s PRO 5 Ca 0.09 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1qhq s PRO 5 Cb 0.03 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1qhq s PRO 5 CO -0.07 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.47 1qhq n GLY 6 N -0.37 -1.28 0.00 0.56 0.00 -0.62 -4.90 105.19 98.58 1qhq n GLY 6 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1qhq n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhq n GLY 7 N -0.03 4.12 0.26 -0.02 0.00 -1.26 -0.21 105.19 108.05 1qhq n GLY 7 Ca 0.00 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.59 1qhq n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qhq h SER 8 N 0.00 0.00 -0.61 1.61 4.64 -0.82 -2.85 113.55 115.52 1qhq h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qhq h SER 8 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qhq h SER 8 CO 0.00 0.08 0.00 0.59 -0.87 0.00 0.00 176.83 176.63 1qhq n ASN 9 N -4.18 3.67 -4.76 4.97 4.13 0.18 -4.98 115.26 114.30 1qhq n ASN 9 Ca -0.03 -1.99 -0.41 0.00 1.68 0.00 0.00 54.58 53.83 1qhq n ASN 9 Cb 0.16 -0.41 -0.02 0.00 -1.54 0.00 0.00 39.78 37.98 1qhq n ASN 9 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1qhq s VAL 10 N -1.04 2.32 0.04 2.41 1.01 -1.08 -0.65 120.40 123.41 1qhq s VAL 10 Ca 0.42 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.70 1qhq s VAL 10 Cb 0.22 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1qhq s VAL 10 CO 0.29 0.05 -0.06 0.68 0.00 0.00 0.00 175.10 176.06 1qhq s VAL 11 N -0.40 0.43 -1.13 2.92 -7.23 -0.76 -4.85 120.40 109.39 1qhq s VAL 11 Ca 0.58 -1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 59.56 1qhq s VAL 11 Cb -0.45 -0.63 0.27 0.00 0.56 0.00 0.00 36.38 36.14 1qhq s VAL 11 CO 0.51 -0.47 1.47 0.59 -0.31 0.00 0.00 175.10 176.89 1qhq n ASN 12 N 1.34 5.99 -4.22 4.85 3.02 -1.26 -4.57 115.26 120.42 1qhq n ASN 12 Ca -0.22 -3.27 -0.15 0.00 -0.03 0.00 0.00 54.58 50.91 1qhq n ASN 12 Cb 0.55 -1.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.28 1qhq n ASN 12 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qhq s GLU 13 N -1.78 0.96 0.12 3.52 0.41 -1.26 -5.12 118.70 115.55 1qhq s GLU 13 Ca 0.33 -1.30 -0.31 0.00 -0.41 0.00 0.00 54.97 53.29 1qhq s GLU 13 Cb 0.02 -0.61 -0.07 0.00 -1.78 0.00 0.00 34.13 31.69 1qhq s GLU 13 CO 0.05 0.09 1.30 0.99 -0.49 0.00 0.00 175.26 177.19 1qhq s THR 14 N -2.81 3.55 0.35 3.63 2.01 -1.26 -4.95 115.64 116.16 1qhq s THR 14 Ca 0.11 1.15 -0.28 0.00 0.31 0.00 0.00 61.69 62.98 1qhq s THR 14 Cb -0.01 -3.74 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1qhq s THR 14 CO 0.00 0.11 1.33 -2.16 -0.69 0.00 0.00 174.62 173.21 1qhq s PRO 15 N 0.77 4.25 0.14 4.92 0.04 -1.26 -4.85 135.00 139.01 1qhq s PRO 15 Ca 0.60 2.24 0.17 0.00 0.04 0.00 0.00 61.00 64.05 1qhq s PRO 15 Cb -0.34 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1qhq s PRO 15 CO 0.32 -0.29 1.05 0.00 0.04 0.00 0.00 177.00 178.12 1qhq h ALA 16 N 3.19 0.65 -2.64 8.56 0.00 -0.76 -3.47 119.26 124.79 1qhq h ALA 16 Ca -0.49 -0.65 -0.13 0.00 0.00 0.00 0.00 54.91 53.64 1qhq h ALA 16 Cb 1.23 0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.98 1qhq h ALA 16 CO 0.65 0.75 -0.49 -0.65 0.00 0.00 0.00 179.25 179.51 1qhq s GLN 17 N -2.97 0.58 0.10 0.00 -0.21 -1.11 -5.05 119.66 111.00 1qhq s GLN 17 Ca -0.00 -0.62 0.07 0.00 0.02 0.00 0.00 55.36 54.83 1qhq s GLN 17 Cb 0.08 0.23 -0.03 0.00 1.00 0.00 0.00 33.01 34.29 1qhq s GLN 17 CO 0.79 -0.15 -0.18 0.95 -2.12 0.00 0.00 175.29 174.58 1qhq s THR 18 N -2.22 1.49 -0.00 -0.19 -4.23 -1.26 -1.40 115.64 107.82 1qhq s THR 18 Ca -0.08 -1.55 -0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1qhq s THR 18 Cb -0.03 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1qhq s THR 18 CO -0.03 -0.19 0.01 0.54 -0.54 0.00 0.00 174.62 174.41 1qhq s VAL 19 N -1.45 -0.00 -0.15 2.29 0.11 -0.01 -4.94 120.40 116.24 1qhq s VAL 19 Ca 0.05 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 1qhq s VAL 19 Cb -0.09 -0.02 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 1qhq s VAL 19 CO 0.04 0.01 0.22 -1.61 -3.33 0.00 0.00 175.10 170.43 1qhq s GLU 20 N 0.09 4.02 0.03 1.54 0.41 -1.26 -0.74 118.70 122.78 1qhq s GLU 20 Ca -0.01 -0.01 0.08 0.00 -0.41 0.00 0.00 54.97 54.62 1qhq s GLU 20 Cb -0.01 -3.35 -0.03 0.00 -1.78 0.00 0.00 34.13 28.96 1qhq s GLU 20 CO -0.00 0.42 -0.25 0.08 -0.49 0.00 0.00 175.26 175.02 1qhq s VAL 21 N -0.05 1.99 0.22 2.63 1.01 0.49 -4.94 120.40 121.74 1qhq s VAL 21 Ca 0.14 -1.26 0.09 0.00 0.00 0.00 0.00 61.98 60.95 1qhq s VAL 21 Cb -0.13 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1qhq s VAL 21 CO 0.03 0.38 -0.15 -0.13 0.00 0.00 0.00 175.10 175.23 1qhq s ARG 22 N -1.06 1.40 0.36 2.72 1.81 -1.26 -1.03 118.95 121.88 1qhq s ARG 22 Ca 0.10 -1.63 -0.15 0.00 -1.72 0.00 0.00 55.73 52.34 1qhq s ARG 22 Cb -0.10 -1.24 -0.09 0.00 -0.45 0.00 0.00 34.95 33.08 1qhq s ARG 22 CO 0.01 0.21 0.77 0.00 -0.68 0.00 0.00 175.30 175.61 1qhq s ALA 23 N -2.89 3.29 0.42 2.13 0.00 -1.08 -0.14 121.76 123.49 1qhq s ALA 23 Ca 0.24 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 1qhq s ALA 23 Cb -0.01 -2.80 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 1qhq s ALA 23 CO 0.08 0.22 1.31 0.00 0.00 0.00 0.00 175.76 177.37 1qhq s ALA 24 N -2.11 3.22 0.21 0.00 0.00 0.71 -4.37 121.76 119.42 1qhq s ALA 24 Ca 0.54 1.24 0.11 0.00 0.00 0.00 0.00 51.96 53.86 1qhq s ALA 24 Cb -0.10 -3.50 0.26 0.00 0.00 0.00 0.00 23.12 19.78 1qhq s ALA 24 CO 0.21 -0.88 1.55 -1.00 0.00 0.00 0.00 175.76 175.63 1qhq h PRO 25 N 2.54 0.00 0.00 0.00 0.13 -1.90 -3.35 132.00 129.42 1qhq h PRO 25 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1qhq h PRO 25 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1qhq h PRO 25 CO 0.62 0.67 -0.15 -0.25 -0.23 0.00 0.00 178.00 178.66 1qhq n ASP 26 N -3.65 1.51 -3.95 1.44 8.00 -1.26 0.63 116.55 119.27 1qhq n ASP 26 Ca -0.01 -2.56 -0.09 0.00 0.71 0.00 0.00 54.79 52.85 1qhq n ASP 26 Cb 0.68 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.12 41.40 1qhq n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qhq s ALA 27 N -1.70 0.05 -1.31 2.24 0.00 -1.26 -5.04 121.76 114.74 1qhq s ALA 27 Ca 0.18 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 1qhq s ALA 27 Cb 0.16 0.54 0.11 0.00 0.00 0.00 0.00 23.12 23.93 1qhq s ALA 27 CO 0.02 -0.51 1.82 1.28 0.00 0.00 0.00 175.76 178.37 1qhq n LEU 28 N -0.06 5.91 -3.51 0.00 4.77 -1.26 -4.39 117.00 118.46 1qhq n LEU 28 Ca -0.13 -4.28 -0.11 0.00 -0.03 0.00 0.00 56.01 51.46 1qhq n LEU 28 Cb 0.62 -1.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1qhq n LEU 28 CO 0.25 0.83 0.32 0.00 -1.33 0.00 0.00 177.39 177.45 1qhq s ALA 29 N 2.38 -1.34 0.45 -1.18 0.00 -1.26 -3.58 121.76 117.23 1qhq s ALA 29 Ca 0.46 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 1qhq s ALA 29 Cb 0.06 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.92 1qhq s ALA 29 CO 0.00 -0.74 0.90 -0.06 0.00 0.00 0.00 175.76 175.87 1qhq s PHE 30 N -3.78 3.42 0.25 0.00 0.08 -1.26 -0.21 117.98 116.48 1qhq s PHE 30 Ca 0.02 1.38 0.06 0.00 0.12 0.00 0.00 56.93 58.51 1qhq s PHE 30 Cb -0.00 -2.70 0.29 0.00 -0.57 0.00 0.00 43.02 40.03 1qhq s PHE 30 CO -0.12 -0.21 1.58 0.00 -0.10 0.00 0.00 175.22 176.37 1qhq h ALA 31 N 1.34 0.90 -2.84 5.36 0.00 -0.74 -3.40 119.26 119.87 1qhq h ALA 31 Ca -0.47 -0.54 -0.66 0.00 0.00 0.00 0.00 54.91 53.24 1qhq h ALA 31 Cb 1.18 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.70 1qhq h ALA 31 CO 0.62 0.73 -0.52 -0.65 0.00 0.00 0.00 179.25 179.43 1qhq s GLN 32 N -3.75 3.69 0.00 0.00 1.11 -1.26 -4.94 119.66 114.51 1qhq s GLN 32 Ca -0.03 -0.49 0.21 0.00 0.01 0.00 0.00 55.36 55.05 1qhq s GLN 32 Cb 0.12 -3.66 0.21 0.00 -1.01 0.00 0.00 33.01 28.67 1qhq s GLN 32 CO 0.79 -0.30 1.20 0.25 0.01 0.00 0.00 175.29 177.24 1qhq n THR 33 N 5.05 0.10 -3.90 -0.19 -2.24 -1.26 -4.82 114.28 107.02 1qhq n THR 33 Ca -0.14 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 60.98 1qhq n THR 33 Cb 0.51 1.35 -0.13 0.00 -2.10 0.00 0.00 70.33 69.96 1qhq n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qhq s SER 34 N -1.69 0.06 0.12 3.42 1.04 -1.26 -0.82 113.70 114.57 1qhq s SER 34 Ca 0.27 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.61 1qhq s SER 34 Cb 0.18 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1qhq s SER 34 CO 0.27 -0.10 -0.10 -0.76 0.98 0.00 0.00 173.24 173.53 1qhq s LEU 35 N -0.44 2.48 -0.02 2.42 1.43 0.13 -4.93 118.68 119.75 1qhq s LEU 35 Ca -0.05 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 1qhq s LEU 35 Cb -0.03 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1qhq s LEU 35 CO -0.00 -0.32 0.01 -0.55 0.23 0.00 0.00 176.35 175.72 1qhq s SER 36 N -2.85 0.19 0.05 2.29 0.15 -1.26 -0.86 113.70 111.41 1qhq s SER 36 Ca 0.11 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.69 1qhq s SER 36 Cb 0.01 -0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1qhq s SER 36 CO -0.00 -0.09 0.16 -0.76 1.20 0.00 0.00 173.24 173.74 1qhq s LEU 37 N 0.83 1.54 0.62 3.45 1.43 -0.70 -4.97 118.68 120.88 1qhq s LEU 37 Ca -0.07 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1qhq s LEU 37 Cb -0.11 0.85 -0.02 0.00 0.03 0.00 0.00 46.19 46.95 1qhq s LEU 37 CO -0.02 -0.59 1.06 -2.16 0.23 0.00 0.00 176.35 174.87 1qhq s PRO 38 N -2.95 3.16 0.61 1.29 0.04 -1.26 -0.79 135.00 135.10 1qhq s PRO 38 Ca -0.02 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 1qhq s PRO 38 Cb 0.01 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1qhq s PRO 38 CO -0.06 -0.94 1.08 0.00 0.04 0.00 0.00 177.00 177.13 1qhq s ALA 39 N -2.57 2.64 -1.48 8.56 0.00 0.06 -4.11 121.76 124.87 1qhq s ALA 39 Ca 0.63 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 53.01 1qhq s ALA 39 Cb -0.16 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.74 1qhq s ALA 39 CO 0.41 -0.95 0.75 -1.71 0.00 0.00 0.00 175.76 174.25 1qhq n ASN 40 N -2.06 -2.60 -4.14 0.00 5.15 -0.98 -4.94 115.26 105.70 1qhq n ASN 40 Ca 0.10 -0.88 -0.23 0.00 -0.60 0.00 0.00 54.58 52.96 1qhq n ASN 40 Cb 0.52 -3.53 -0.15 0.00 -0.53 0.00 0.00 39.78 36.09 1qhq n ASN 40 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1qhq s THR 41 N -3.55 1.23 -0.14 -0.44 2.01 -1.26 -4.86 115.64 108.64 1qhq s THR 41 Ca 0.36 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 1qhq s THR 41 Cb -0.19 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1qhq s THR 41 CO 0.86 0.33 1.01 -0.69 -0.69 0.00 0.00 174.62 175.44 1qhq s VAL 42 N -0.39 4.76 -0.02 3.82 1.01 -1.26 -0.43 120.40 127.89 1qhq s VAL 42 Ca 0.06 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.12 1qhq s VAL 42 Cb -0.06 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1qhq s VAL 42 CO -0.00 -0.04 -0.15 0.54 0.00 0.00 0.00 175.10 175.44 1qhq s VAL 43 N 2.32 1.22 -0.27 2.92 0.11 0.23 0.04 120.40 126.96 1qhq s VAL 43 Ca 0.47 -0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 58.77 1qhq s VAL 43 Cb -0.17 -1.03 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 1qhq s VAL 43 CO 0.15 0.35 0.25 -0.60 -3.33 0.00 0.00 175.10 171.92 1qhq s ARG 44 N -0.14 3.99 -0.26 1.54 3.52 -0.50 -1.39 118.95 125.71 1qhq s ARG 44 Ca 0.01 -0.18 -0.10 0.00 -0.13 0.00 0.00 55.73 55.33 1qhq s ARG 44 Cb -0.08 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1qhq s ARG 44 CO 0.00 -0.19 0.16 -1.17 -0.81 0.00 0.00 175.30 173.30 1qhq s LEU 45 N 1.78 3.95 -0.35 -0.88 2.96 -0.01 -0.83 118.68 125.30 1qhq s LEU 45 Ca 0.10 -0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 1qhq s LEU 45 Cb -0.16 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.45 1qhq s LEU 45 CO 0.10 -0.01 0.23 -1.81 -1.32 0.00 0.00 176.35 173.54 1qhq s ASP 46 N 1.48 5.90 -0.33 3.68 1.01 0.08 -1.28 116.67 127.21 1qhq s ASP 46 Ca 0.07 -0.61 -0.10 0.00 0.71 0.00 0.00 52.55 52.61 1qhq s ASP 46 Cb -0.15 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1qhq s ASP 46 CO 0.08 -0.29 0.17 0.12 0.21 0.00 0.00 175.17 175.46 1qhq s PHE 47 N 1.66 3.20 -0.39 4.23 5.36 0.27 -0.38 117.98 131.93 1qhq s PHE 47 Ca 0.05 -0.69 -0.14 0.00 -0.96 0.00 0.00 56.93 55.19 1qhq s PHE 47 Cb -0.18 -2.39 0.01 0.00 -0.34 0.00 0.00 43.02 40.13 1qhq s PHE 47 CO 0.09 -0.52 0.27 0.08 -1.46 0.00 0.00 175.22 173.68 1qhq s VAL 48 N 1.60 5.15 -1.15 3.12 1.01 -0.20 -0.93 120.40 128.99 1qhq s VAL 48 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1qhq s VAL 48 Cb -0.18 -3.82 0.21 0.00 0.00 0.00 0.00 36.38 32.59 1qhq s VAL 48 CO 0.06 -0.23 1.29 0.21 0.00 0.00 0.00 175.10 176.43 1qhq s ASN 49 N 1.67 7.12 -0.24 3.32 2.47 -0.00 -2.64 114.94 126.64 1qhq s ASN 49 Ca 0.05 -3.13 -0.06 0.00 0.42 0.00 0.00 52.86 50.14 1qhq s ASN 49 Cb -0.19 -2.33 -0.02 0.00 -1.45 0.00 0.00 41.25 37.26 1qhq s ASN 49 CO 0.10 -0.61 0.02 -1.10 -3.72 0.00 0.00 177.10 171.79 1qhq s GLN 50 N 0.66 3.53 0.08 0.43 -0.21 -1.26 0.55 119.66 123.43 1qhq s GLN 50 Ca 0.37 -0.54 -0.13 0.00 0.02 0.00 0.00 55.36 55.08 1qhq s GLN 50 Cb -0.06 -3.18 0.02 0.00 1.00 0.00 0.00 33.01 30.79 1qhq s GLN 50 CO -0.03 -0.19 0.29 0.54 -2.12 0.00 0.00 175.29 173.78 1qhq s ASN 51 N 1.55 -0.08 0.00 5.90 2.20 -1.26 -4.36 114.94 118.89 1qhq s ASN 51 Ca 0.06 -0.35 0.17 0.00 -0.94 0.00 0.00 52.86 51.80 1qhq s ASN 51 Cb -0.15 0.38 0.58 0.00 -2.00 0.00 0.00 41.25 40.06 1qhq s ASN 51 CO 0.00 -0.70 1.44 0.59 -2.94 0.00 0.00 177.10 175.49 1qhq n ASN 52 N 0.21 1.79 0.00 3.54 3.02 0.21 -4.08 115.26 119.95 1qhq n ASN 52 Ca -0.17 -1.82 0.11 0.00 -0.03 0.00 0.00 54.58 52.66 1qhq n ASN 52 Cb 0.61 -0.16 -0.11 0.00 -0.61 0.00 0.00 39.78 39.51 1qhq n ASN 52 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1qhq n LEU 53 N 0.43 0.54 -0.45 3.41 4.77 -1.25 -4.96 117.00 119.49 1qhq n LEU 53 Ca 0.15 -0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1qhq n LEU 53 Cb 0.32 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1qhq n LEU 53 CO 0.11 0.11 -0.05 0.61 -1.33 0.00 0.00 177.39 176.84 1qhq n GLY 54 N 1.38 0.61 3.80 -0.72 0.00 -1.26 -4.99 105.19 104.01 1qhq n GLY 54 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 1qhq n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhq s VAL 55 N -2.21 4.75 0.47 1.61 0.11 -1.26 -4.57 120.40 119.30 1qhq s VAL 55 Ca 0.00 -0.54 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 1qhq s VAL 55 Cb 0.00 -3.24 -0.10 0.00 -1.53 0.00 0.00 36.38 31.52 1qhq s VAL 55 CO 0.00 0.24 0.97 -1.10 -3.33 0.00 0.00 175.10 171.88 1qhq s GLN 56 N -2.08 4.10 0.01 1.54 -0.21 -1.26 -3.12 119.66 118.63 1qhq s GLN 56 Ca 0.27 1.07 -0.27 0.00 0.02 0.00 0.00 55.36 56.45 1qhq s GLN 56 Cb -0.12 -2.16 0.06 0.00 1.00 0.00 0.00 33.01 31.79 1qhq s GLN 56 CO 0.19 -0.15 0.61 -1.01 -2.12 0.00 0.00 175.29 172.81 1qhq s HIS 57 N -2.34 -0.56 0.31 0.91 3.76 -0.77 -4.88 115.29 111.71 1qhq s HIS 57 Ca 0.61 0.81 0.03 0.00 -0.15 0.00 0.00 55.06 56.36 1qhq s HIS 57 Cb -0.10 0.40 -0.04 0.00 1.11 0.00 0.00 32.58 33.96 1qhq s HIS 57 CO 0.20 -0.64 0.17 0.54 -0.85 0.00 0.00 174.74 174.16 1qhq s ASN 58 N -1.62 1.56 -0.13 1.40 4.22 -1.26 -0.80 114.94 118.31 1qhq s ASN 58 Ca -0.08 -1.57 0.01 0.00 -2.14 0.00 0.00 52.86 49.08 1qhq s ASN 58 Cb -0.01 0.40 0.02 0.00 1.28 0.00 0.00 41.25 42.94 1qhq s ASN 58 CO 0.03 -0.90 -0.16 0.86 -2.04 0.00 0.00 177.10 174.89 1qhq s TRP 59 N -3.59 2.20 -0.13 1.54 -0.00 -1.26 -4.31 118.94 113.39 1qhq s TRP 59 Ca 0.36 -1.13 -0.01 0.00 -0.00 0.00 0.00 56.10 55.31 1qhq s TRP 59 Cb 0.05 -1.57 0.04 0.00 -0.00 0.00 0.00 33.47 31.98 1qhq s TRP 59 CO 0.18 -0.58 -0.03 0.08 -0.00 0.00 0.00 176.95 176.60 1qhq s VAL 60 N 1.13 0.82 -0.20 5.86 1.01 0.32 -1.06 120.40 128.28 1qhq s VAL 60 Ca -0.02 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1qhq s VAL 60 Cb -0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1qhq s VAL 60 CO -0.05 0.19 0.35 -0.22 0.00 0.00 0.00 175.10 175.36 1qhq s LEU 61 N 1.77 4.17 0.18 3.92 2.96 0.13 -0.30 118.68 131.50 1qhq s LEU 61 Ca 0.03 0.46 0.08 0.00 -0.22 0.00 0.00 54.13 54.48 1qhq s LEU 61 Cb -0.14 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1qhq s LEU 61 CO -0.07 -0.02 -0.01 0.68 -1.32 0.00 0.00 176.35 175.60 1qhq s VAL 62 N 1.10 3.65 -1.46 1.68 -7.23 -0.21 -0.76 120.40 117.16 1qhq s VAL 62 Ca 0.17 -1.47 -0.08 0.00 -1.81 0.00 0.00 61.98 58.79 1qhq s VAL 62 Cb -0.14 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 33.99 1qhq s VAL 62 CO 0.07 -0.12 2.62 -3.20 -0.31 0.00 0.00 175.10 174.16 1qhq n ASN 63 N -0.12 8.09 0.00 4.85 4.05 0.18 -4.03 115.26 128.28 1qhq n ASN 63 Ca -0.10 -2.87 0.00 0.00 0.45 0.00 0.00 54.58 52.06 1qhq n ASN 63 Cb 0.55 -1.47 0.00 0.00 1.23 0.00 0.00 39.78 40.10 1qhq n ASN 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qhq n GLY 64 N 2.69 -0.36 0.00 8.20 0.00 -1.26 -4.97 105.19 109.49 1qhq n GLY 64 Ca 0.68 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1qhq n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhq n GLY 65 N 0.00 2.55 0.23 -0.02 0.00 -1.26 -1.18 105.19 105.50 1qhq n GLY 65 Ca 0.00 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.18 1qhq n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qhq h ASP 66 N 0.00 0.27 -0.33 1.61 3.32 -2.00 0.28 116.42 119.57 1qhq h ASP 66 Ca 0.00 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1qhq h ASP 66 Cb 0.00 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1qhq h ASP 66 CO 0.00 0.49 -0.11 0.44 -1.72 0.00 0.00 179.24 178.34 1qhq h ASP 67 N 0.26 0.67 -0.35 6.45 3.32 -1.99 0.05 116.42 124.82 1qhq h ASP 67 Ca 0.04 -0.38 -0.14 0.00 0.02 0.00 0.00 57.03 56.58 1qhq h ASP 67 Cb 0.51 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1qhq h ASP 67 CO 0.03 0.90 -0.29 0.58 -1.72 0.00 0.00 179.24 178.75 1qhq h VAL 68 N 0.44 1.27 -0.78 -1.35 2.07 -1.84 -2.64 116.25 113.43 1qhq h VAL 68 Ca 0.08 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1qhq h VAL 68 Cb 0.62 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1qhq h VAL 68 CO 0.04 0.48 0.47 0.00 0.02 0.00 0.00 177.57 178.58 1qhq h ALA 69 N 0.93 0.99 -0.62 1.67 0.00 -0.74 -0.29 119.26 121.20 1qhq h ALA 69 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1qhq h ALA 69 Cb 0.84 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1qhq h ALA 69 CO 0.07 0.46 0.13 0.00 0.00 0.00 0.00 179.25 179.91 1qhq h ALA 70 N 1.25 1.06 -0.04 0.00 0.00 -0.85 0.15 119.26 120.82 1qhq h ALA 70 Ca 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qhq h ALA 70 Cb -0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1qhq h ALA 70 CO -0.05 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.83 1qhq h ALA 71 N 1.20 0.06 -0.64 0.00 0.00 -0.99 0.23 119.26 119.12 1qhq h ALA 71 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1qhq h ALA 71 Cb 0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1qhq h ALA 71 CO 0.00 -0.35 0.24 0.28 0.00 0.00 0.00 179.25 179.42 1qhq h VAL 72 N -0.10 1.24 -0.59 0.00 2.07 -0.96 -1.74 116.25 116.17 1qhq h VAL 72 Ca 0.01 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1qhq h VAL 72 Cb 0.18 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1qhq h VAL 72 CO -0.00 0.30 0.34 -1.13 0.02 0.00 0.00 177.57 177.10 1qhq h ASN 73 N 0.91 0.73 -0.85 0.57 -1.24 -0.47 -1.71 115.58 113.52 1qhq h ASN 73 Ca 0.21 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1qhq h ASN 73 Cb 0.22 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.05 1qhq h ASN 73 CO -0.02 0.59 0.46 0.74 -1.29 0.00 0.00 177.43 177.91 1qhq h THR 74 N 0.80 1.25 -0.54 -3.57 2.02 -0.30 -0.71 112.91 111.86 1qhq h THR 74 Ca 0.21 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 1qhq h THR 74 Cb 0.01 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1qhq h THR 74 CO -0.04 0.28 0.06 0.00 0.37 0.00 0.00 175.52 176.19 1qhq h ALA 75 N 1.25 1.08 -0.08 6.16 0.00 -0.96 -2.42 119.26 124.30 1qhq h ALA 75 Ca 0.30 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1qhq h ALA 75 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1qhq h ALA 75 CO -0.05 0.59 -0.50 0.00 0.00 0.00 0.00 179.25 179.30 1qhq h ALA 76 N 1.23 1.03 0.00 0.00 0.00 -0.97 -2.84 119.26 117.71 1qhq h ALA 76 Ca 0.17 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1qhq h ALA 76 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qhq h ALA 76 CO 0.01 0.65 -0.04 0.37 0.00 0.00 0.00 179.25 180.24 1qhq h GLN 77 N 0.16 0.00 -0.82 0.00 4.15 -0.61 -0.72 115.11 117.25 1qhq h GLN 77 Ca 0.01 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.11 1qhq h GLN 77 Cb 0.93 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.43 1qhq h GLN 77 CO 0.07 0.04 0.39 0.09 -1.93 0.00 0.00 178.83 177.50 1qhq n ASN 78 N -4.00 4.49 -2.64 -0.69 3.02 -1.07 -4.46 115.26 109.90 1qhq n ASN 78 Ca -0.03 -3.36 -0.20 0.00 -0.03 0.00 0.00 54.58 50.96 1qhq n ASN 78 Cb 0.12 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1qhq n ASN 78 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1qhq n ASN 79 N -0.48 3.33 0.26 6.41 5.15 -0.28 -4.91 115.26 124.73 1qhq n ASN 79 Ca 0.47 -3.33 0.11 0.00 -0.60 0.00 0.00 54.58 51.23 1qhq n ASN 79 Cb 1.48 -0.51 0.71 0.00 -0.53 0.00 0.00 39.78 40.94 1qhq n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qhq h ALA 80 N 2.79 1.43 0.00 5.20 0.00 -1.78 -0.82 119.26 126.09 1qhq h ALA 80 Ca 0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1qhq h ALA 80 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1qhq h ALA 80 CO 0.71 0.14 -0.43 -0.44 0.00 0.00 0.00 179.25 179.23 1qhq h ASP 81 N 0.00 0.00 -0.56 0.00 3.32 -1.96 -1.34 116.42 115.87 1qhq h ASP 81 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qhq h ASP 81 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1qhq h ASP 81 CO 0.01 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 1qhq n ALA 82 N -2.41 3.62 -3.57 3.45 0.00 -0.98 -4.71 120.51 115.91 1qhq n ALA 82 Ca -0.01 -1.89 -0.23 0.00 0.00 0.00 0.00 53.44 51.31 1qhq n ALA 82 Cb 0.47 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 18.95 1qhq n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qhq n LEU 83 N 0.63 -3.53 -1.01 0.00 4.77 -0.51 -3.54 117.00 113.80 1qhq n LEU 83 Ca 0.27 -0.56 -0.10 0.00 -0.03 0.00 0.00 56.01 55.58 1qhq n LEU 83 Cb 1.10 -3.05 -0.02 0.00 -2.33 0.00 0.00 43.42 39.12 1qhq n LEU 83 CO 0.29 0.59 -0.12 0.49 -1.33 0.00 0.00 177.39 177.32 1qhq n PHE 84 N -4.82 -0.29 -2.09 -1.77 3.72 -0.35 -4.81 117.46 107.06 1qhq n PHE 84 Ca -0.06 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.04 1qhq n PHE 84 Cb 0.58 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.87 1qhq n PHE 84 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1qhq s VAL 85 N -2.46 4.71 0.31 -4.37 -7.23 -1.23 -4.34 120.40 105.80 1qhq s VAL 85 Ca 0.00 0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 60.71 1qhq s VAL 85 Cb 0.00 -3.84 -0.12 0.00 0.56 0.00 0.00 36.38 32.98 1qhq s VAL 85 CO 0.00 -1.02 1.38 -2.65 -0.31 0.00 0.00 175.10 172.51 1qhq n PRO 86 N -2.45 2.24 -1.55 4.82 -0.02 -1.26 -4.54 135.00 132.24 1qhq n PRO 86 Ca 0.05 0.79 -0.36 0.00 -2.02 0.00 0.00 63.50 61.96 1qhq n PRO 86 Cb 0.54 -2.43 0.09 0.00 -0.02 0.00 0.00 33.50 31.67 1qhq n PRO 86 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1qhq s PRO 87 N -1.36 2.26 0.35 0.52 0.02 -1.26 -4.93 135.00 130.60 1qhq s PRO 87 Ca 0.59 1.99 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 1qhq s PRO 87 Cb -0.57 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.01 1qhq s PRO 87 CO 0.58 -1.80 1.36 -2.30 -0.33 0.00 0.00 177.00 174.50 1qhq n PRO 88 N -2.33 2.31 -1.01 5.54 -0.02 -1.26 -1.96 135.00 136.26 1qhq n PRO 88 Ca 0.15 0.81 -0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1qhq n PRO 88 Cb 0.49 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1qhq n PRO 88 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1qhq n ASP 89 N 0.70 -3.72 -4.69 2.55 8.00 -1.26 -4.96 116.55 113.17 1qhq n ASP 89 Ca 0.04 0.01 -0.44 0.00 0.71 0.00 0.00 54.79 55.11 1qhq n ASP 89 Cb 0.37 -1.25 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 1qhq n ASP 89 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1qhq n THR 90 N -2.77 0.22 -1.74 -3.53 -1.04 -0.83 -4.90 114.28 99.70 1qhq n THR 90 Ca -0.00 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 1qhq n THR 90 Cb 0.12 -1.92 -0.01 0.00 -1.82 0.00 0.00 70.33 66.70 1qhq n THR 90 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1qhq n PRO 91 N 4.85 2.53 -1.40 -2.82 -0.02 -1.26 -2.94 135.00 133.94 1qhq n PRO 91 Ca 0.18 0.89 -0.14 0.00 -2.02 0.00 0.00 63.50 62.41 1qhq n PRO 91 Cb 0.34 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.14 1qhq n PRO 91 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qhq n ASN 92 N 1.41 -4.86 -4.23 2.55 5.03 -1.26 -4.74 115.26 109.16 1qhq n ASN 92 Ca 0.06 0.34 -0.42 0.00 0.87 0.00 0.00 54.58 55.43 1qhq n ASN 92 Cb 0.37 -3.57 -0.08 0.00 -1.02 0.00 0.00 39.78 35.48 1qhq n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qhq s ALA 93 N -2.45 3.48 0.15 5.41 0.00 -1.15 0.48 121.76 127.68 1qhq s ALA 93 Ca 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 51.96 49.25 1qhq s ALA 93 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1qhq s ALA 93 CO 0.00 -1.96 1.47 -0.07 0.00 0.00 0.00 175.76 175.20 1qhq h LEU 94 N 8.41 0.92 -7.00 0.00 3.38 -1.27 -1.65 115.31 118.10 1qhq h LEU 94 Ca -0.20 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.36 1qhq h LEU 94 Cb 1.07 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 41.34 1qhq h LEU 94 CO 0.88 1.23 0.42 0.00 0.09 0.00 0.00 178.44 181.06 1qhq s ALA 95 N -4.24 -1.89 0.03 1.53 0.00 -1.16 -0.64 121.76 115.38 1qhq s ALA 95 Ca -0.10 1.57 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 1qhq s ALA 95 Cb 0.11 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1qhq s ALA 95 CO 0.88 -0.32 0.36 1.67 0.00 0.00 0.00 175.76 178.35 1qhq s TRP 96 N -0.90 -0.20 0.58 0.00 -2.14 0.71 0.18 118.94 117.16 1qhq s TRP 96 Ca -0.03 0.16 -0.04 0.00 2.66 0.00 0.00 56.10 58.84 1qhq s TRP 96 Cb -0.01 0.16 0.01 0.00 -3.10 0.00 0.00 33.47 30.53 1qhq s TRP 96 CO 0.03 -0.52 0.87 0.95 -2.66 0.00 0.00 176.95 175.62 1qhq s THR 97 N -2.28 3.51 1.09 0.66 -4.23 -0.22 -1.59 115.64 112.57 1qhq s THR 97 Ca -0.07 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.17 1qhq s THR 97 Cb -0.01 -3.38 0.23 0.00 1.34 0.00 0.00 72.50 70.67 1qhq s THR 97 CO -0.01 -0.37 0.96 0.00 -0.54 0.00 0.00 174.62 174.66 1qhq n ALA 98 N -2.52 -2.36 -2.66 3.99 0.00 -1.26 -4.50 120.51 111.21 1qhq n ALA 98 Ca 0.05 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.09 1qhq n ALA 98 Cb 0.58 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 1qhq n ALA 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1qhq s MET 99 N -4.37 4.25 -0.16 0.00 1.75 -1.26 -4.57 119.30 114.94 1qhq s MET 99 Ca 0.67 1.00 -0.06 0.00 -1.25 0.00 0.00 55.69 56.05 1qhq s MET 99 Cb -0.24 -3.61 -0.04 0.00 2.84 0.00 0.00 34.83 33.79 1qhq s MET 99 CO 0.63 -0.42 0.03 -0.51 -0.65 0.00 0.00 175.02 174.10 1qhq s LEU 100 N 2.50 3.69 0.73 4.11 1.43 0.02 -4.91 118.68 126.24 1qhq s LEU 100 Ca 0.37 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1qhq s LEU 100 Cb -0.16 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.19 1qhq s LEU 100 CO 0.10 0.22 1.09 0.20 0.23 0.00 0.00 176.35 178.19 1qhq s ASN 101 N 0.06 4.79 0.12 2.29 0.01 -1.26 -1.86 114.94 119.09 1qhq s ASN 101 Ca 0.04 1.82 -0.34 0.00 -0.71 0.00 0.00 52.86 53.67 1qhq s ASN 101 Cb -0.13 -2.52 -0.14 0.00 0.41 0.00 0.00 41.25 38.87 1qhq s ASN 101 CO 0.01 -1.84 1.59 0.00 -1.51 0.00 0.00 177.10 175.36 1qhq n ALA 102 N -3.22 1.10 0.00 0.60 0.00 -1.18 -0.81 120.51 116.99 1qhq n ALA 102 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1qhq n ALA 102 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1qhq n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qhq n GLY 103 N 3.46 0.30 3.93 0.00 0.00 0.19 -4.98 105.19 108.10 1qhq n GLY 103 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1qhq n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qhq s GLU 104 N -0.94 3.52 0.01 1.61 2.02 0.01 -4.92 118.70 120.01 1qhq s GLU 104 Ca 0.00 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.70 1qhq s GLU 104 Cb 0.00 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 1qhq s GLU 104 CO 0.00 0.30 -0.10 -1.12 0.02 0.00 0.00 175.26 174.36 1qhq s SER 105 N -3.51 1.12 -0.02 -0.19 0.01 -1.26 -0.82 113.70 109.03 1qhq s SER 105 Ca 0.39 -0.30 -0.20 0.00 1.31 0.00 0.00 55.95 57.16 1qhq s SER 105 Cb -0.10 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.08 1qhq s SER 105 CO 0.31 0.03 0.43 -0.83 0.41 0.00 0.00 173.24 173.59 1qhq s GLY 106 N -0.67 -0.29 0.39 3.44 0.00 -0.11 -5.00 107.32 105.08 1qhq s GLY 106 Ca 0.01 0.61 0.08 0.00 0.00 0.00 0.00 44.72 45.42 1qhq s GLY 106 CO 0.00 0.36 0.03 -0.56 0.00 0.00 0.00 173.10 172.93 1qhq s SER 107 N -1.36 4.02 -0.04 1.64 0.01 -1.26 -0.57 113.70 116.14 1qhq s SER 107 Ca -0.12 -1.23 -0.03 0.00 1.31 0.00 0.00 55.95 55.88 1qhq s SER 107 Cb -0.03 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.79 1qhq s SER 107 CO 0.05 -0.41 0.10 0.54 0.41 0.00 0.00 173.24 173.93 1qhq s VAL 108 N -2.65 -0.02 -0.19 3.43 0.11 -0.40 -4.71 120.40 115.97 1qhq s VAL 108 Ca 0.36 0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1qhq s VAL 108 Cb 0.06 -0.16 -0.00 0.00 -1.53 0.00 0.00 36.38 34.76 1qhq s VAL 108 CO 0.19 0.03 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.00 1qhq s THR 109 N 0.48 2.98 0.11 5.04 2.01 -1.26 -0.83 115.64 124.17 1qhq s THR 109 Ca -0.04 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1qhq s THR 109 Cb -0.05 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 1qhq s THR 109 CO -0.02 0.47 0.18 0.72 -0.69 0.00 0.00 174.62 175.28 1qhq s PHE 110 N 1.22 0.33 -0.23 4.92 -0.71 -0.49 -1.82 117.98 121.20 1qhq s PHE 110 Ca 0.02 -0.75 -0.17 0.00 -1.04 0.00 0.00 56.93 54.99 1qhq s PHE 110 Cb -0.14 -0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 1qhq s PHE 110 CO -0.04 -0.57 0.48 0.50 -1.34 0.00 0.00 175.22 174.25 1qhq s ARG 111 N -3.91 4.13 0.66 1.99 3.52 0.18 -0.60 118.95 124.91 1qhq s ARG 111 Ca 0.10 0.30 -0.17 0.00 -0.13 0.00 0.00 55.73 55.83 1qhq s ARG 111 Cb 0.05 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 1qhq s ARG 111 CO -0.07 -0.21 1.25 0.95 -0.81 0.00 0.00 175.30 176.41 1qhq s THR 112 N 1.84 2.25 0.14 4.11 -4.23 0.43 -4.83 115.64 115.35 1qhq s THR 112 Ca 0.21 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1qhq s THR 112 Cb -0.15 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.78 1qhq s THR 112 CO 0.09 -0.04 0.16 -0.81 -0.54 0.00 0.00 174.62 173.48 1qhq n PRO 113 N -2.10 -0.65 -1.08 3.99 -0.04 -1.26 -2.31 135.00 131.55 1qhq n PRO 113 Ca 0.15 -0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 1qhq n PRO 113 Cb 0.49 -0.19 0.16 0.00 -0.04 0.00 0.00 33.50 33.92 1qhq n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qhq s ALA 114 N -3.57 1.16 0.33 0.55 0.00 -1.26 -2.81 121.76 116.15 1qhq s ALA 114 Ca 0.10 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1qhq s ALA 114 Cb -0.01 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 1qhq s ALA 114 CO 0.07 -2.67 1.33 -2.30 0.00 0.00 0.00 175.76 172.19 1qhq n PRO 115 N -4.10 2.17 -3.52 0.00 -0.02 -1.26 -4.81 135.00 123.46 1qhq n PRO 115 Ca 0.06 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1qhq n PRO 115 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1qhq n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhq n GLY 116 N 1.03 -1.36 3.22 -1.23 0.00 -0.44 -4.96 105.19 101.44 1qhq n GLY 116 Ca 0.06 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 1qhq n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qhq s THR 117 N -2.69 1.76 -0.02 2.61 -4.23 -1.26 0.00 115.64 111.80 1qhq s THR 117 Ca 0.00 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.57 1qhq s THR 117 Cb 0.00 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.36 1qhq s THR 117 CO 0.00 0.50 0.07 -0.31 -0.54 0.00 0.00 174.62 174.34 1qhq s TYR 118 N -0.18 -0.06 0.27 3.99 1.51 -0.09 -4.64 117.35 118.16 1qhq s TYR 118 Ca -0.01 0.16 -0.16 0.00 -1.01 0.00 0.00 57.07 56.05 1qhq s TYR 118 Cb -0.12 0.02 -0.08 0.00 -0.11 0.00 0.00 41.96 41.66 1qhq s TYR 118 CO 0.02 -0.05 0.70 -0.51 -1.11 0.00 0.00 175.55 174.60 1qhq s LEU 119 N -0.07 4.17 -0.00 -1.29 1.43 -0.33 0.34 118.68 122.93 1qhq s LEU 119 Ca -0.01 1.27 0.06 0.00 -1.03 0.00 0.00 54.13 54.42 1qhq s LEU 119 Cb -0.01 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1qhq s LEU 119 CO 0.00 -0.10 -0.19 -0.72 0.23 0.00 0.00 176.35 175.57 1qhq s TYR 120 N -1.80 2.55 0.25 0.29 1.13 -0.20 -1.05 117.35 118.53 1qhq s TYR 120 Ca 0.49 -0.26 0.01 0.00 -1.41 0.00 0.00 57.07 55.90 1qhq s TYR 120 Cb -0.13 -1.53 -0.04 0.00 -1.10 0.00 0.00 41.96 39.17 1qhq s TYR 120 CO 0.19 0.16 0.15 0.96 -2.51 0.00 0.00 175.55 174.50 1qhq s ILE 121 N -0.79 0.19 -0.12 -3.49 -4.36 0.59 -0.59 121.20 112.63 1qhq s ILE 121 Ca 0.12 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.48 1qhq s ILE 121 Cb -0.10 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 1qhq s ILE 121 CO 0.02 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.21 1qhq n THR 123 N 2.69 0.66 -1.90 0.00 -2.24 -1.26 -3.37 114.28 108.86 1qhq n THR 123 Ca -0.18 -0.83 -0.41 0.00 -2.27 0.00 0.00 64.05 60.36 1qhq n THR 123 Cb 0.53 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 1qhq n THR 123 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1qhq s PHE 124 N -1.34 2.85 -0.18 4.78 5.36 -1.26 -4.63 117.98 123.56 1qhq s PHE 124 Ca 0.42 0.99 -0.42 0.00 -0.96 0.00 0.00 56.93 56.96 1qhq s PHE 124 Cb 0.24 -3.93 -0.19 0.00 -0.34 0.00 0.00 43.02 38.79 1qhq s PHE 124 CO 0.32 -2.99 1.34 -2.30 -1.46 0.00 0.00 175.22 170.13 1qhq n PRO 125 N 1.84 0.26 0.00 10.12 -0.02 -1.26 -1.36 135.00 144.58 1qhq n PRO 125 Ca 0.06 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1qhq n PRO 125 Cb 0.39 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1qhq n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhq n GLY 126 N 2.71 2.94 0.27 -1.23 0.00 -1.26 -4.89 105.19 103.73 1qhq n GLY 126 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1qhq n GLY 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1qhq h HIS 127 N 0.00 1.10 -0.63 1.61 3.86 -1.50 -0.50 115.15 119.10 1qhq h HIS 127 Ca 0.00 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 58.87 1qhq h HIS 127 Cb 0.00 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 1qhq h HIS 127 CO 0.00 1.12 0.23 -0.92 0.86 0.00 0.00 177.93 179.21 1qhq h TYR 128 N 0.79 0.98 0.00 2.45 3.20 -1.74 0.08 116.97 122.73 1qhq h TYR 128 Ca 0.09 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1qhq h TYR 128 Cb 0.88 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1qhq h TYR 128 CO 0.06 0.79 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.97 1qhq h LEU 129 N 0.89 0.00 0.00 2.82 3.38 -1.89 -0.35 115.31 120.17 1qhq h LEU 129 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1qhq h LEU 129 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1qhq h LEU 129 CO -0.01 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1qhq n ALA 130 N -2.34 2.31 0.00 1.53 0.00 -0.21 -4.87 120.51 116.94 1qhq n ALA 130 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1qhq n ALA 130 Cb 0.42 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1qhq n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qhq n GLY 131 N 0.84 0.99 3.56 0.00 0.00 -0.14 -4.98 105.19 105.46 1qhq n GLY 131 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1qhq n GLY 131 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qhq s MET 132 N -0.63 3.42 0.30 1.61 0.00 -0.06 -4.85 119.30 119.09 1qhq s MET 132 Ca 0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 55.69 54.53 1qhq s MET 132 Cb 0.00 -5.31 0.02 0.00 0.00 0.00 0.00 34.83 29.54 1qhq s MET 132 CO 0.00 -2.41 0.68 -1.59 0.00 0.00 0.00 175.02 171.70 1qhq s LYS 133 N 5.32 1.84 0.18 4.11 -2.85 -1.26 -2.32 119.74 124.76 1qhq s LYS 133 Ca 0.50 -1.17 -0.24 0.00 -1.00 0.00 0.00 55.97 54.06 1qhq s LYS 133 Cb -0.01 0.58 0.06 0.00 -2.06 0.00 0.00 37.83 36.40 1qhq s LYS 133 CO -0.08 -0.83 0.95 0.20 0.10 0.00 0.00 175.35 175.68 1qhq s GLY 134 N -2.99 -0.14 -0.16 0.59 0.00 0.24 -4.72 107.32 100.14 1qhq s GLY 134 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.85 1qhq s GLY 134 CO 0.09 0.33 -0.13 -1.59 0.00 0.00 0.00 173.10 171.81 1qhq s THR 135 N -3.11 2.91 -0.24 0.90 2.01 -0.00 -1.04 115.64 117.06 1qhq s THR 135 Ca 0.14 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 1qhq s THR 135 Cb -0.02 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 1qhq s THR 135 CO 0.03 0.50 0.26 -0.22 -0.69 0.00 0.00 174.62 174.51 1qhq s LEU 136 N 0.77 4.09 -0.26 4.42 2.96 0.15 -0.69 118.68 130.12 1qhq s LEU 136 Ca -0.05 0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1qhq s LEU 136 Cb -0.15 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1qhq s LEU 136 CO 0.01 -0.03 0.13 -0.89 -1.32 0.00 0.00 176.35 174.24 1qhq s THR 137 N 1.43 4.85 -0.27 3.68 2.01 -0.04 -0.91 115.64 126.40 1qhq s THR 137 Ca 0.11 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 1qhq s THR 137 Cb -0.15 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1qhq s THR 137 CO 0.07 0.31 0.16 -0.69 -0.69 0.00 0.00 174.62 173.78 1qhq s VAL 138 N 1.58 5.16 0.63 3.82 1.01 0.10 -1.73 120.40 130.97 1qhq s VAL 138 Ca 0.06 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1qhq s VAL 138 Cb -0.15 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 32.88 1qhq s VAL 138 CO 0.07 0.29 0.87 0.42 0.00 0.00 0.00 175.10 176.74 1qhq s THR 139 N 1.58 2.29 -1.06 3.92 -4.23 0.03 -1.33 115.64 116.85 1qhq s THR 139 Ca 0.07 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1qhq s THR 139 Cb -0.15 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1qhq s THR 139 CO 0.09 0.00 0.26 -2.65 -0.54 0.00 0.00 174.62 171.78