#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qto s VAL 2 N 0.00 3.35 -0.10 1.12 1.01 -1.26 -5.02 120.40 119.51 1qto s VAL 2 Ca 0.00 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.97 1qto s VAL 2 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1qto s VAL 2 CO 0.00 0.10 0.02 -0.54 0.00 0.00 0.00 175.10 174.69 1qto s LYS 3 N 0.71 3.11 -0.40 2.72 3.01 -1.26 -5.07 119.74 122.56 1qto s LYS 3 Ca 0.61 -0.36 -0.14 0.00 -1.01 0.00 0.00 55.97 55.07 1qto s LYS 3 Cb -0.36 -2.88 0.02 0.00 -1.01 0.00 0.00 37.83 33.61 1qto s LYS 3 CO 0.33 0.68 0.27 -0.06 0.51 0.00 0.00 175.35 177.08 1qto s PHE 4 N -0.82 3.24 -0.03 3.18 0.40 -1.26 -4.97 117.98 117.73 1qto s PHE 4 Ca 0.13 -0.72 -0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1qto s PHE 4 Cb -0.12 -2.56 -0.27 0.00 0.51 0.00 0.00 43.02 40.59 1qto s PHE 4 CO 0.02 -0.61 0.73 -0.07 0.70 0.00 0.00 175.22 175.99 1qto h LEU 5 N 8.57 0.36 -7.22 -0.37 3.38 -2.05 -3.49 115.31 114.49 1qto h LEU 5 Ca -0.26 -0.57 0.20 0.00 0.09 0.00 0.00 57.88 57.33 1qto h LEU 5 Cb 1.11 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 1qto h LEU 5 CO 0.71 1.49 0.63 -0.83 0.09 0.00 0.00 178.44 180.53 1qto s GLY 6 N -5.10 -0.36 0.02 0.83 0.00 -1.26 -5.16 107.32 96.28 1qto s GLY 6 Ca -0.11 0.85 0.05 0.00 0.00 0.00 0.00 44.72 45.51 1qto s GLY 6 CO 0.83 0.25 -0.15 0.00 0.00 0.00 0.00 173.10 174.03 1qto s ALA 7 N -2.87 1.26 -0.27 3.20 0.00 -1.26 -5.12 121.76 116.69 1qto s ALA 7 Ca 0.10 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1qto s ALA 7 Cb 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.93 1qto s ALA 7 CO -0.04 0.28 -0.05 0.08 0.00 0.00 0.00 175.76 176.03 1qto s VAL 8 N -0.60 1.94 0.67 0.00 1.01 -1.26 -4.75 120.40 117.41 1qto s VAL 8 Ca 0.04 -1.66 -0.16 0.00 0.00 0.00 0.00 61.98 60.21 1qto s VAL 8 Cb -0.07 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1qto s VAL 8 CO 0.00 -0.21 1.15 -2.84 0.00 0.00 0.00 175.10 173.21 1qto s PRO 9 N 1.17 2.59 -0.27 2.72 0.02 -1.26 -4.81 135.00 135.17 1qto s PRO 9 Ca -0.03 1.57 0.02 0.00 0.02 0.00 0.00 61.00 62.59 1qto s PRO 9 Cb -0.19 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.48 1qto s PRO 9 CO -0.07 -1.44 -0.08 0.08 -0.33 0.00 0.00 177.00 175.15 1qto s VAL 10 N -2.12 2.28 0.53 3.83 1.01 -1.26 -1.49 120.40 123.18 1qto s VAL 10 Ca 0.71 -1.66 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1qto s VAL 10 Cb -0.25 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 1qto s VAL 10 CO 0.41 -0.08 0.96 -0.76 0.00 0.00 0.00 175.10 175.63 1qto s LEU 11 N 1.11 3.53 0.15 3.92 1.43 0.11 -4.90 118.68 124.03 1qto s LEU 11 Ca -0.07 1.42 0.10 0.00 -1.03 0.00 0.00 54.13 54.55 1qto s LEU 11 Cb -0.20 -4.39 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 1qto s LEU 11 CO -0.05 -0.65 -0.22 0.42 0.23 0.00 0.00 176.35 176.09 1qto s THR 12 N -2.77 2.02 -0.11 5.49 -4.23 -1.26 -0.65 115.64 114.13 1qto s THR 12 Ca 0.56 -1.85 -0.25 0.00 -1.18 0.00 0.00 61.69 58.97 1qto s THR 12 Cb -0.10 -1.89 0.06 0.00 1.34 0.00 0.00 72.50 71.91 1qto s THR 12 CO 0.39 -0.14 0.61 0.00 -0.54 0.00 0.00 174.62 174.94 1qto s ALA 13 N -1.59 -1.55 0.14 3.99 0.00 -0.35 -4.68 121.76 117.72 1qto s ALA 13 Ca 0.15 1.34 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 1qto s ALA 13 Cb -0.08 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 1qto s ALA 13 CO 0.07 -0.33 1.32 0.28 0.00 0.00 0.00 175.76 177.10 1qto h VAL 14 N 3.54 1.44 -3.44 0.00 2.07 -1.88 -0.89 116.25 117.10 1qto h VAL 14 Ca -0.28 -2.55 -0.64 0.00 0.82 0.00 0.00 66.70 64.05 1qto h VAL 14 Cb 1.15 2.47 -0.41 0.00 -1.52 0.00 0.00 31.29 32.99 1qto h VAL 14 CO 0.29 0.75 -0.65 -0.62 0.02 0.00 0.00 177.57 177.36 1qto s ASP 15 N -7.03 4.39 0.06 0.57 -1.08 -1.26 -4.74 116.67 107.59 1qto s ASP 15 Ca -0.05 -2.81 -0.24 0.00 -0.52 0.00 0.00 52.55 48.93 1qto s ASP 15 Cb 0.09 -1.62 -0.16 0.00 -1.46 0.00 0.00 42.92 39.77 1qto s ASP 15 CO 0.85 -0.27 1.62 0.58 0.52 0.00 0.00 175.17 178.48 1qto h VAL 16 N 5.74 1.04 -0.88 1.11 2.07 -1.77 -2.71 116.25 120.85 1qto h VAL 16 Ca -0.07 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.30 1qto h VAL 16 Cb 0.92 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 1qto h VAL 16 CO 0.65 0.07 0.52 -0.65 0.02 0.00 0.00 177.57 178.17 1qto h PRO 17 N -0.17 0.80 -0.59 1.57 0.11 -1.86 0.47 132.00 132.33 1qto h PRO 17 Ca -0.01 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1qto h PRO 17 Cb 0.15 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 1qto h PRO 17 CO 0.01 0.53 0.12 0.00 -0.21 0.00 0.00 178.00 178.45 1qto h ALA 18 N 1.50 1.10 -0.20 -0.75 0.00 -1.98 -1.54 119.26 117.39 1qto h ALA 18 Ca 0.44 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1qto h ALA 18 Cb 0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1qto h ALA 18 CO -0.27 0.59 -0.62 -0.97 0.00 0.00 0.00 179.25 177.99 1qto h ASN 19 N 0.89 0.76 -0.64 0.00 -1.24 -0.94 -2.84 115.58 111.58 1qto h ASN 19 Ca 0.19 -0.44 -0.01 0.00 0.71 0.00 0.00 56.30 56.75 1qto h ASN 19 Cb 0.35 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 1qto h ASN 19 CO 0.00 1.20 0.36 0.58 -1.29 0.00 0.00 177.43 178.28 1qto h VAL 20 N 0.50 1.20 -0.91 2.57 2.07 -0.72 -2.10 116.25 118.86 1qto h VAL 20 Ca -0.01 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1qto h VAL 20 Cb 1.20 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1qto h VAL 20 CO 0.12 0.21 0.56 0.28 0.02 0.00 0.00 177.57 178.77 1qto h SER 21 N 0.86 0.86 0.05 0.57 0.02 -1.21 0.23 113.55 114.93 1qto h SER 21 Ca 0.22 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1qto h SER 21 Cb 0.03 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1qto h SER 21 CO -0.04 0.52 -0.02 0.15 -1.14 0.00 0.00 176.83 176.30 1qto h PHE 22 N 0.98 -0.06 -0.46 3.45 3.57 -1.15 0.47 116.94 123.73 1qto h PHE 22 Ca 0.41 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.85 1qto h PHE 22 Cb 0.27 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1qto h PHE 22 CO -0.03 0.11 0.04 -1.49 -2.23 0.00 0.00 178.31 174.71 1qto h TRP 23 N -0.23 0.76 0.00 0.41 4.06 -0.95 -1.17 115.95 118.83 1qto h TRP 23 Ca -0.01 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.84 1qto h TRP 23 Cb 0.20 -0.22 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1qto h TRP 23 CO -0.02 0.69 -0.26 0.28 -3.56 0.00 0.00 178.44 175.57 1qto h VAL 24 N 0.69 0.34 -0.01 1.49 2.07 -0.87 -0.83 116.25 119.13 1qto h VAL 24 Ca 0.15 -1.30 -0.14 0.00 0.82 0.00 0.00 66.70 66.23 1qto h VAL 24 Cb 0.37 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1qto h VAL 24 CO 0.01 0.12 -0.64 0.44 0.02 0.00 0.00 177.57 177.51 1qto h ASP 25 N -1.00 0.06 0.00 0.57 3.32 -0.16 -2.66 116.42 116.55 1qto h ASP 25 Ca -0.03 -0.04 -0.38 0.00 0.02 0.00 0.00 57.03 56.60 1qto h ASP 25 Cb 0.41 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 1qto h ASP 25 CO -0.02 0.69 -2.39 0.41 -1.72 0.00 0.00 179.24 176.21 1qto n THR 26 N -3.79 1.39 1.22 0.35 -1.04 -0.53 -4.60 114.28 107.27 1qto n THR 26 Ca -0.01 -0.49 0.13 0.00 -2.04 0.00 0.00 64.05 61.63 1qto n THR 26 Cb 0.64 -1.46 0.29 0.00 -1.82 0.00 0.00 70.33 67.97 1qto n THR 26 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1qto n LEU 27 N -3.41 1.65 -0.36 -4.42 4.77 -0.72 -4.96 117.00 109.56 1qto n LEU 27 Ca -0.44 -0.54 -0.04 0.00 -0.03 0.00 0.00 56.01 54.96 1qto n LEU 27 Cb 0.93 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.97 1qto n LEU 27 CO 0.19 0.29 -0.04 0.61 -1.33 0.00 0.00 177.39 177.12 1qto n GLY 28 N 1.32 0.46 3.93 -0.72 0.00 -1.01 -4.95 105.19 104.22 1qto n GLY 28 Ca 0.13 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 1qto n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qto s PHE 29 N -2.16 3.12 0.02 1.61 0.40 -0.34 -4.95 117.98 115.67 1qto s PHE 29 Ca 0.00 0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.81 1qto s PHE 29 Cb 0.00 -2.78 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 1qto s PHE 29 CO 0.00 -0.90 -0.03 -1.83 0.70 0.00 0.00 175.22 173.16 1qto s GLU 30 N -4.96 2.62 -0.19 0.44 -1.05 0.92 -4.32 118.70 112.16 1qto s GLU 30 Ca 0.55 -0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 54.37 1qto s GLU 30 Cb -0.10 -2.56 -0.00 0.00 -0.44 0.00 0.00 34.13 31.02 1qto s GLU 30 CO 0.43 0.60 1.12 0.21 0.95 0.00 0.00 175.26 178.57 1qto s LYS 31 N -1.63 4.26 -0.18 -4.83 2.20 -1.26 -0.61 119.74 117.69 1qto s LYS 31 Ca 0.19 1.48 -0.20 0.00 -0.36 0.00 0.00 55.97 57.08 1qto s LYS 31 Cb -0.11 -3.67 -0.17 0.00 -1.51 0.00 0.00 37.83 32.36 1qto s LYS 31 CO 0.10 -0.63 0.27 -0.44 -0.36 0.00 0.00 175.35 174.29 1qto h ASP 32 N 7.70 0.00 -5.18 1.43 3.32 -1.17 -3.48 116.42 119.03 1qto h ASP 32 Ca -0.23 -0.52 0.08 0.00 0.02 0.00 0.00 57.03 56.38 1qto h ASP 32 Cb 1.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1qto h ASP 32 CO 0.96 1.23 0.40 0.72 -1.72 0.00 0.00 179.24 180.84 1qto s PHE 33 N -2.27 0.04 0.00 4.55 -0.12 -1.19 -4.99 117.98 114.00 1qto s PHE 33 Ca -0.23 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.09 1qto s PHE 33 Cb 0.03 0.76 0.00 0.00 -0.63 0.00 0.00 43.02 43.18 1qto s PHE 33 CO 0.53 -1.23 0.00 0.41 -0.05 0.00 0.00 175.22 174.88 1qto n GLY 34 N -0.58 2.91 0.00 1.99 0.00 -1.26 -1.49 105.19 106.77 1qto n GLY 34 Ca -0.06 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1qto n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qto n ASP 35 N 0.00 0.00 0.13 1.61 5.68 -0.83 -4.96 116.55 118.18 1qto n ASP 35 Ca 0.00 -0.64 0.11 0.00 -0.50 0.00 0.00 54.79 53.77 1qto n ASP 35 Cb 0.00 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.47 1qto n ASP 35 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1qto n ARG 36 N 0.00 0.17 -0.09 0.11 1.85 -1.26 -3.32 116.66 114.12 1qto n ARG 36 Ca 0.00 0.45 -0.12 0.00 -1.00 0.00 0.00 57.85 57.18 1qto n ARG 36 Cb 0.00 -1.86 -0.15 0.00 -1.05 0.00 0.00 32.46 29.40 1qto n ARG 36 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1qto n ASP 37 N -2.20 0.66 -3.66 2.89 9.92 -1.26 -4.42 116.55 118.49 1qto n ASP 37 Ca 0.02 0.06 -0.07 0.00 -0.53 0.00 0.00 54.79 54.27 1qto n ASP 37 Cb 0.19 0.44 -0.08 0.00 -0.64 0.00 0.00 41.12 41.03 1qto n ASP 37 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1qto s PHE 38 N -2.52 -0.98 0.23 1.24 5.36 -1.21 -1.19 117.98 118.91 1qto s PHE 38 Ca -0.15 1.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 1qto s PHE 38 Cb 0.07 0.53 -0.05 0.00 -0.34 0.00 0.00 43.02 43.23 1qto s PHE 38 CO 0.78 -0.51 0.10 0.00 -1.46 0.00 0.00 175.22 174.13 1qto s ALA 39 N 2.09 1.46 -0.03 11.12 0.00 0.11 -1.96 121.76 134.55 1qto s ALA 39 Ca -0.07 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1qto s ALA 39 Cb -0.09 1.14 0.01 0.00 0.00 0.00 0.00 23.12 24.18 1qto s ALA 39 CO -0.17 -0.50 0.10 0.20 0.00 0.00 0.00 175.76 175.39 1qto s GLY 40 N -3.24 -0.05 0.25 0.00 0.00 -0.56 -0.26 107.32 103.47 1qto s GLY 40 Ca 0.37 0.20 0.05 0.00 0.00 0.00 0.00 44.72 45.34 1qto s GLY 40 CO 0.12 0.15 -0.04 -1.34 0.00 0.00 0.00 173.10 171.99 1qto s VAL 41 N -0.18 1.35 0.09 1.40 -7.23 0.19 -0.60 120.40 115.41 1qto s VAL 41 Ca -0.02 -2.08 -0.19 0.00 -1.81 0.00 0.00 61.98 57.88 1qto s VAL 41 Cb -0.02 -2.36 0.04 0.00 0.56 0.00 0.00 36.38 34.60 1qto s VAL 41 CO 0.00 -0.34 0.45 0.00 -0.31 0.00 0.00 175.10 174.90 1qto s ARG 42 N -3.79 1.05 -0.28 4.82 1.70 0.22 -1.21 118.95 121.46 1qto s ARG 42 Ca 0.28 -0.49 -0.13 0.00 -0.47 0.00 0.00 55.73 54.92 1qto s ARG 42 Cb 0.04 0.47 0.10 0.00 -0.57 0.00 0.00 34.95 34.99 1qto s ARG 42 CO 0.10 -0.40 0.66 0.50 -1.08 0.00 0.00 175.30 175.08 1qto s ARG 43 N -3.15 0.65 6.24 3.89 3.52 -0.88 -0.06 118.95 129.16 1qto s ARG 43 Ca -0.01 1.30 0.00 0.00 -0.13 0.00 0.00 55.73 56.89 1qto s ARG 43 Cb 0.00 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 1qto s ARG 43 CO -0.07 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.66 1qto n GLY 44 N 4.76 2.78 0.30 8.12 0.00 -1.26 -2.21 105.19 117.67 1qto n GLY 44 Ca -0.17 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1qto n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qto n ASP 45 N 2.41 0.92 -4.56 1.61 8.00 -1.26 -4.91 116.55 118.76 1qto n ASP 45 Ca 0.00 -1.44 -0.25 0.00 0.71 0.00 0.00 54.79 53.81 1qto n ASP 45 Cb 0.00 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 1qto n ASP 45 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1qto s ILE 46 N -1.94 3.08 0.11 0.53 -5.25 -0.94 -5.07 121.20 111.71 1qto s ILE 46 Ca 0.36 -1.91 0.05 0.00 -0.99 0.00 0.00 60.65 58.16 1qto s ILE 46 Cb 0.18 -2.58 -0.04 0.00 2.95 0.00 0.00 42.46 42.98 1qto s ILE 46 CO 0.30 -0.25 -0.12 -0.13 -1.79 0.00 0.00 174.94 172.94 1qto s ARG 47 N -3.22 0.92 -0.00 0.37 0.52 -1.26 -2.06 118.95 114.21 1qto s ARG 47 Ca 0.28 -1.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1qto s ARG 47 Cb -0.07 -0.70 -0.00 0.00 0.52 0.00 0.00 34.95 34.70 1qto s ARG 47 CO 0.16 0.12 -0.04 -0.51 0.02 0.00 0.00 175.30 175.06 1qto s LEU 48 N -2.42 1.98 0.10 2.53 1.43 -0.35 -4.24 118.68 117.71 1qto s LEU 48 Ca 0.07 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1qto s LEU 48 Cb -0.04 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 1qto s LEU 48 CO 0.01 0.04 0.04 -1.00 0.23 0.00 0.00 176.35 175.68 1qto s HIS 49 N -0.05 3.06 -0.13 0.29 3.76 -0.56 -0.64 115.29 121.03 1qto s HIS 49 Ca 0.01 -0.00 -0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1qto s HIS 49 Cb -0.02 -1.55 0.03 0.00 1.11 0.00 0.00 32.58 32.15 1qto s HIS 49 CO -0.00 0.50 -0.07 0.42 -0.85 0.00 0.00 174.74 174.74 1qto s ILE 50 N -1.42 1.03 -0.00 0.60 1.01 0.64 0.07 121.20 123.13 1qto s ILE 50 Ca 0.28 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.60 1qto s ILE 50 Cb -0.11 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1qto s ILE 50 CO 0.20 0.30 -0.13 -0.55 0.00 0.00 0.00 174.94 174.76 1qto s SER 51 N 1.70 4.15 0.26 3.58 0.15 0.18 -0.71 113.70 123.00 1qto s SER 51 Ca 0.04 -0.25 -0.30 0.00 0.70 0.00 0.00 55.95 56.14 1qto s SER 51 Cb -0.13 -0.84 -0.09 0.00 -1.71 0.00 0.00 66.02 63.24 1qto s SER 51 CO -0.08 0.30 1.05 -0.60 1.20 0.00 0.00 173.24 175.11 1qto s ARG 52 N -1.19 4.70 0.11 5.44 3.52 -0.33 -1.20 118.95 129.99 1qto s ARG 52 Ca 0.14 1.70 0.05 0.00 -0.13 0.00 0.00 55.73 57.49 1qto s ARG 52 Cb -0.11 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1qto s ARG 52 CO 0.04 0.29 -0.12 -0.08 -0.81 0.00 0.00 175.30 174.62 1qto s THR 53 N -1.06 1.09 -1.13 4.11 -1.32 -0.34 -4.83 115.64 112.16 1qto s THR 53 Ca 0.44 -1.65 0.23 0.00 -1.21 0.00 0.00 61.69 59.50 1qto s THR 53 Cb -0.30 -1.41 -0.10 0.00 -1.51 0.00 0.00 72.50 69.19 1qto s THR 53 CO 0.38 -0.49 1.15 -0.62 -2.21 0.00 0.00 174.62 172.82 1qto n GLU 54 N 0.58 0.14 -3.93 7.08 -0.58 -1.26 -4.09 120.64 118.58 1qto n GLU 54 Ca -0.16 -0.11 -0.35 0.00 -0.42 0.00 0.00 57.16 56.13 1qto n GLU 54 Cb 0.57 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.80 1qto n GLU 54 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1qto s HIS 55 N -2.93 3.04 0.43 -0.32 3.76 -1.26 -4.98 115.29 113.03 1qto s HIS 55 Ca 0.11 -1.36 0.10 0.00 -0.15 0.00 0.00 55.06 53.76 1qto s HIS 55 Cb 0.17 -2.09 0.94 0.00 1.11 0.00 0.00 32.58 32.72 1qto s HIS 55 CO 0.76 -0.68 2.03 0.37 -0.85 0.00 0.00 174.74 176.38 1qto h GLN 56 N 8.06 0.29 0.00 1.40 5.75 -1.98 -2.06 115.11 126.57 1qto h GLN 56 Ca -0.35 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.12 1qto h GLN 56 Cb 1.12 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1qto h GLN 56 CO 0.59 0.27 -0.00 0.97 -2.65 0.00 0.00 178.83 178.00 1qto h ILE 57 N 0.29 0.81 -0.12 2.39 2.10 -1.98 -1.27 117.51 119.73 1qto h ILE 57 Ca 0.07 -0.02 -0.07 0.00 1.08 0.00 0.00 64.86 65.93 1qto h ILE 57 Cb 0.10 1.01 -0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1qto h ILE 57 CO -0.00 0.00 -0.20 0.58 -1.08 0.00 0.00 178.15 177.45 1qto h VAL 58 N 0.00 1.38 -0.68 2.19 2.07 -1.77 -2.88 116.25 116.56 1qto h VAL 58 Ca -0.00 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1qto h VAL 58 Cb 0.01 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1qto h VAL 58 CO 0.00 0.42 0.31 0.00 0.02 0.00 0.00 177.57 178.32 1qto h ALA 59 N 0.54 0.88 0.00 1.67 0.00 -1.40 -1.94 119.26 119.02 1qto h ALA 59 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qto h ALA 59 Cb 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qto h ALA 59 CO 0.04 0.46 0.00 -0.25 0.00 0.00 0.00 179.25 179.51 1qto n ASP 60 N -4.43 0.38 -0.31 0.00 8.00 -0.55 -2.32 116.55 117.32 1qto n ASP 60 Ca 0.05 0.60 0.09 0.00 0.71 0.00 0.00 54.79 56.24 1qto n ASP 60 Cb 0.15 -0.68 0.16 0.00 -0.02 0.00 0.00 41.12 40.73 1qto n ASP 60 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qto n ASN 61 N -1.92 2.75 -4.79 -2.24 4.13 -0.78 -4.88 115.26 107.54 1qto n ASN 61 Ca 0.02 -2.93 -0.36 0.00 1.68 0.00 0.00 54.58 52.99 1qto n ASN 61 Cb 0.18 -0.41 -0.08 0.00 -1.54 0.00 0.00 39.78 37.93 1qto n ASN 61 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1qto s THR 62 N -2.62 4.98 0.22 3.41 2.01 -0.92 -5.03 115.64 117.69 1qto s THR 62 Ca 0.31 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 1qto s THR 62 Cb 0.26 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 1qto s THR 62 CO 0.05 0.61 0.34 -0.94 -0.69 0.00 0.00 174.62 173.98 1qto s SER 63 N -0.93 0.01 0.12 3.53 1.04 -1.26 -1.58 113.70 114.63 1qto s SER 63 Ca 0.14 -1.09 -0.23 0.00 0.48 0.00 0.00 55.95 55.25 1qto s SER 63 Cb -0.12 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.57 1qto s SER 63 CO 0.03 -1.01 0.58 0.00 0.98 0.00 0.00 173.24 173.82 1qto s ALA 64 N -4.06 -1.51 -0.04 5.32 0.00 -0.79 -4.92 121.76 115.76 1qto s ALA 64 Ca 0.28 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1qto s ALA 64 Cb 0.02 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1qto s ALA 64 CO 0.09 -0.68 -0.24 -1.58 0.00 0.00 0.00 175.76 173.36 1qto s TRP 65 N -3.29 2.23 -0.05 0.00 0.51 -1.26 -0.60 118.94 116.48 1qto s TRP 65 Ca -0.01 -0.56 0.02 0.00 -2.12 0.00 0.00 56.10 53.43 1qto s TRP 65 Cb -0.00 -1.46 0.01 0.00 -0.81 0.00 0.00 33.47 31.21 1qto s TRP 65 CO -0.09 -0.14 -0.11 0.42 -0.51 0.00 0.00 176.95 176.53 1qto s ILE 66 N -0.31 0.98 -0.22 2.03 1.01 0.11 -4.94 121.20 119.87 1qto s ILE 66 Ca 0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 1qto s ILE 66 Cb -0.12 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1qto s ILE 66 CO 0.02 0.32 0.23 -1.61 0.00 0.00 0.00 174.94 173.89 1qto s GLU 67 N 0.61 4.14 0.20 2.79 2.02 -1.26 -1.14 118.70 126.05 1qto s GLU 67 Ca -0.12 -0.11 0.06 0.00 0.02 0.00 0.00 54.97 54.82 1qto s GLU 67 Cb -0.14 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 1qto s GLU 67 CO 0.03 0.09 -0.09 0.14 0.02 0.00 0.00 175.26 175.45 1qto s VAL 68 N 0.94 1.40 0.20 2.63 -7.23 -0.10 -4.83 120.40 113.41 1qto s VAL 68 Ca 0.11 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1qto s VAL 68 Cb -0.13 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1qto s VAL 68 CO 0.04 -0.56 1.54 0.71 -0.31 0.00 0.00 175.10 176.52 1qto h THR 69 N 2.58 1.31 -2.53 5.32 1.35 -1.85 0.74 112.91 119.83 1qto h THR 69 Ca -0.38 -1.68 -0.56 0.00 -0.55 0.00 0.00 66.41 63.24 1qto h THR 69 Cb 1.21 1.65 -0.38 0.00 -1.73 0.00 0.00 68.15 68.90 1qto h THR 69 CO 0.64 0.53 -0.83 -0.62 -0.25 0.00 0.00 175.52 174.98 1qto s ASP 70 N -6.89 2.81 0.31 5.36 -1.08 -1.26 -4.62 116.67 111.30 1qto s ASP 70 Ca -0.08 -2.08 0.04 0.00 -0.52 0.00 0.00 52.55 49.91 1qto s ASP 70 Cb 0.12 -0.29 0.64 0.00 -1.46 0.00 0.00 42.92 41.93 1qto s ASP 70 CO 0.84 -0.31 1.85 -0.65 0.52 0.00 0.00 175.17 177.42 1qto h PRO 71 N 7.08 0.87 -0.48 4.34 0.11 -1.88 -2.41 132.00 139.63 1qto h PRO 71 Ca 0.05 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1qto h PRO 71 Cb 0.98 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1qto h PRO 71 CO 0.26 0.58 0.21 -0.44 -0.21 0.00 0.00 178.00 178.39 1qto h ASP 72 N 0.90 0.66 -0.79 -2.05 3.32 -1.94 -0.16 116.42 116.35 1qto h ASP 72 Ca 0.47 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1qto h ASP 72 Cb 0.54 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1qto h ASP 72 CO -0.23 0.63 0.43 0.00 -1.72 0.00 0.00 179.24 178.35 1qto h ALA 73 N 1.05 1.01 -0.42 3.45 0.00 -1.88 0.23 119.26 122.71 1qto h ALA 73 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1qto h ALA 73 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1qto h ALA 73 CO -0.02 0.53 -0.04 1.25 0.00 0.00 0.00 179.25 180.98 1qto h LEU 74 N 1.10 0.76 -0.75 0.00 5.85 -1.21 -2.06 115.31 118.99 1qto h LEU 74 Ca 0.28 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1qto h LEU 74 Cb 0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1qto h LEU 74 CO -0.04 0.90 0.48 -0.74 -0.34 0.00 0.00 178.44 178.70 1qto h HIS 75 N 0.59 0.90 -0.74 1.25 2.76 -0.60 -2.14 115.15 117.17 1qto h HIS 75 Ca 0.11 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1qto h HIS 75 Cb 0.54 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 1qto h HIS 75 CO 0.04 0.53 0.34 0.93 -1.30 0.00 0.00 177.93 178.48 1qto h GLU 76 N 0.95 1.07 -0.53 5.26 5.08 -0.73 -0.23 114.58 125.45 1qto h GLU 76 Ca 0.30 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1qto h GLU 76 Cb -0.01 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 1qto h GLU 76 CO -0.10 0.85 0.30 1.49 -1.00 0.00 0.00 179.01 180.55 1qto h GLU 77 N 1.04 0.72 0.00 2.33 4.81 -0.75 -2.90 114.58 119.84 1qto h GLU 77 Ca 0.25 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1qto h GLU 77 Cb 0.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1qto h GLU 77 CO -0.03 0.52 -0.83 0.91 -0.73 0.00 0.00 179.01 178.85 1qto n TRP 78 N -4.41 0.24 0.31 0.92 8.01 -0.94 -4.31 117.44 117.26 1qto n TRP 78 Ca 0.05 0.07 0.19 0.00 -1.31 0.00 0.00 57.50 56.49 1qto n TRP 78 Cb 0.09 -0.41 0.98 0.00 -2.01 0.00 0.00 31.31 29.96 1qto n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1qto h ALA 79 N 2.67 1.30 0.00 6.99 0.00 -0.83 -0.68 119.26 128.71 1qto h ALA 79 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qto h ALA 79 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1qto h ALA 79 CO 0.00 -0.20 -1.01 2.89 0.00 0.00 0.00 179.25 180.92 1qto n ARG 80 N -3.13 0.45 -0.01 0.00 1.85 -1.26 -4.38 116.66 110.18 1qto n ARG 80 Ca -0.02 0.05 0.04 0.00 -1.00 0.00 0.00 57.85 56.93 1qto n ARG 80 Cb 0.25 -1.71 -0.10 0.00 -1.05 0.00 0.00 32.46 29.86 1qto n ARG 80 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qto n ALA 81 N -2.01 2.34 -2.49 2.89 0.00 -0.39 -5.01 120.51 115.84 1qto n ALA 81 Ca 0.01 -0.37 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 1qto n ALA 81 Cb 0.50 -0.36 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 1qto n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qto s VAL 82 N -2.77 3.11 0.35 0.00 1.01 -0.46 -5.10 120.40 116.53 1qto s VAL 82 Ca -0.05 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 1qto s VAL 82 Cb 0.07 -2.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 1qto s VAL 82 CO 0.51 0.54 1.38 -0.55 0.00 0.00 0.00 175.10 176.98 1qto s SER 83 N -0.89 6.58 -0.07 3.32 0.15 -1.26 -4.77 113.70 116.77 1qto s SER 83 Ca 0.12 2.83 0.19 0.00 0.70 0.00 0.00 55.95 59.80 1qto s SER 83 Cb -0.11 -2.66 0.67 0.00 -1.71 0.00 0.00 66.02 62.22 1qto s SER 83 CO 0.02 -0.68 1.57 0.35 1.20 0.00 0.00 173.24 175.69 1qto n THR 84 N 0.64 1.48 -3.21 6.45 -2.24 -1.26 -0.42 114.28 115.72 1qto n THR 84 Ca 0.00 -1.06 -0.44 0.00 -2.27 0.00 0.00 64.05 60.29 1qto n THR 84 Cb 0.41 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1qto n THR 84 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qto n ASP 85 N 1.24 5.87 -0.33 3.42 2.03 -1.26 -4.79 116.55 122.72 1qto n ASP 85 Ca 0.24 -3.20 0.03 0.00 0.52 0.00 0.00 54.79 52.39 1qto n ASP 85 Cb 0.77 -1.32 0.18 0.00 -0.72 0.00 0.00 41.12 40.03 1qto n ASP 85 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1qto h TYR 86 N 6.10 1.05 -0.12 -0.67 3.20 -1.83 -0.42 116.97 124.27 1qto h TYR 86 Ca 0.19 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.12 1qto h TYR 86 Cb 0.76 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1qto h TYR 86 CO 0.86 0.48 0.11 0.00 -1.64 0.00 0.00 178.16 177.97 1qto h ALA 87 N 1.46 1.86 -0.86 1.82 0.00 -1.96 -3.32 119.26 118.27 1qto h ALA 87 Ca 0.43 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.80 1qto h ALA 87 Cb 0.30 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1qto h ALA 87 CO -0.22 -0.18 1.54 0.34 0.00 0.00 0.00 179.25 180.74 1qto s ASP 88 N -6.28 6.16 0.00 0.00 -1.08 -0.17 -4.76 116.67 110.55 1qto s ASP 88 Ca -0.05 -1.69 0.11 0.00 -0.52 0.00 0.00 52.55 50.40 1qto s ASP 88 Cb 0.16 -2.57 0.63 0.00 -1.46 0.00 0.00 42.92 39.67 1qto s ASP 88 CO 0.60 -1.85 1.08 1.07 0.52 0.00 0.00 175.17 176.60 1qto n THR 89 N 7.03 0.00 0.28 1.71 5.66 -1.25 -3.42 114.28 124.30 1qto n THR 89 Ca 0.41 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.60 1qto n THR 89 Cb 0.48 -0.54 0.94 0.00 -1.55 0.00 0.00 70.33 69.67 1qto n THR 89 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1qto h SER 90 N 0.00 0.00 -0.15 1.09 4.64 -1.91 -3.46 113.55 113.75 1qto h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qto h SER 90 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qto h SER 90 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1qto n GLY 91 N -0.99 1.36 3.76 -0.77 0.00 -1.22 -5.14 105.19 102.19 1qto n GLY 91 Ca -0.02 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 1qto n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qto s PRO 92 N -0.20 3.47 0.20 1.61 0.04 -1.26 -4.90 135.00 133.96 1qto s PRO 92 Ca 0.00 2.15 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 1qto s PRO 92 Cb 0.00 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.15 1qto s PRO 92 CO 0.00 -0.90 0.51 0.00 0.04 0.00 0.00 177.00 176.65 1qto s ALA 93 N -1.33 -0.85 0.02 8.56 0.00 -0.91 -4.21 121.76 123.03 1qto s ALA 93 Ca 0.66 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1qto s ALA 93 Cb -0.38 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1qto s ALA 93 CO 0.46 -0.80 -0.10 1.41 0.00 0.00 0.00 175.76 176.73 1qto s MET 94 N -3.89 0.73 0.53 0.00 1.75 0.44 -0.84 119.30 118.04 1qto s MET 94 Ca 0.10 -0.55 -0.01 0.00 -1.25 0.00 0.00 55.69 53.98 1qto s MET 94 Cb -0.01 -0.68 0.02 0.00 2.84 0.00 0.00 34.83 37.00 1qto s MET 94 CO -0.02 0.17 0.78 0.95 -0.65 0.00 0.00 175.02 176.25 1qto s THR 95 N -0.67 3.31 0.86 10.11 -4.23 -0.31 -4.31 115.64 120.40 1qto s THR 95 Ca -0.00 -0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.94 1qto s THR 95 Cb -0.06 -3.26 0.11 0.00 1.34 0.00 0.00 72.50 70.62 1qto s THR 95 CO 0.00 -0.21 1.10 -2.84 -0.54 0.00 0.00 174.62 172.14 1qto s PRO 96 N -4.77 1.58 0.09 3.99 0.02 -1.26 -4.57 135.00 130.09 1qto s PRO 96 Ca 0.54 0.62 -0.30 0.00 0.02 0.00 0.00 61.00 61.88 1qto s PRO 96 Cb -0.10 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1qto s PRO 96 CO 0.40 -1.97 0.95 0.08 -0.33 0.00 0.00 177.00 176.13 1qto s VAL 97 N -3.10 4.55 0.20 3.83 1.01 -1.26 -4.51 120.40 121.12 1qto s VAL 97 Ca 0.62 2.04 0.05 0.00 0.00 0.00 0.00 61.98 64.70 1qto s VAL 97 Cb -0.16 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 1qto s VAL 97 CO 0.55 0.30 -0.08 -0.83 0.00 0.00 0.00 175.10 175.04 1qto s GLY 98 N 0.10 1.40 -0.08 4.51 0.00 0.13 -4.92 107.32 108.46 1qto s GLY 98 Ca 0.47 -1.67 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 1qto s GLY 98 CO 0.29 -1.69 0.26 -0.54 0.00 0.00 0.00 173.10 171.42 1qto s GLU 99 N -3.75 3.77 0.24 2.90 0.41 -1.26 -0.69 118.70 120.32 1qto s GLU 99 Ca 0.23 0.10 0.02 0.00 -0.41 0.00 0.00 54.97 54.91 1qto s GLU 99 Cb 0.03 -3.25 -0.05 0.00 -1.78 0.00 0.00 34.13 29.08 1qto s GLU 99 CO 0.06 0.64 0.06 -1.54 -0.49 0.00 0.00 175.26 173.99 1qto s SER 100 N -0.76 1.32 0.60 -0.19 1.04 -0.24 -4.97 113.70 110.51 1qto s SER 100 Ca 0.18 -1.31 0.32 0.00 0.48 0.00 0.00 55.95 55.62 1qto s SER 100 Cb -0.14 0.12 1.93 0.00 0.10 0.00 0.00 66.02 68.04 1qto s SER 100 CO 0.07 -0.66 2.28 1.55 0.98 0.00 0.00 173.24 177.46 1qto h PRO 101 N 2.46 0.00 -0.52 4.02 0.13 -2.03 -0.53 132.00 135.53 1qto h PRO 101 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1qto h PRO 101 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1qto h PRO 101 CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 1qto n ALA 102 N -2.28 2.45 0.00 -0.56 0.00 -1.26 -5.05 120.51 113.82 1qto n ALA 102 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1qto n ALA 102 Cb 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1qto n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qto n GLY 103 N 1.29 -1.08 3.79 0.00 0.00 -0.21 -4.72 105.19 104.27 1qto n GLY 103 Ca 0.17 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1qto n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qto s ARG 104 N -0.68 4.28 0.21 1.61 0.52 -1.26 -1.08 118.95 122.56 1qto s ARG 104 Ca 0.00 1.32 -0.23 0.00 -0.52 0.00 0.00 55.73 56.30 1qto s ARG 104 Cb 0.00 -2.47 0.04 0.00 0.52 0.00 0.00 34.95 33.04 1qto s ARG 104 CO 0.00 -0.00 0.79 -1.83 0.02 0.00 0.00 175.30 174.27 1qto s GLU 105 N -2.64 1.51 0.25 3.54 -1.05 0.13 -2.38 118.70 118.06 1qto s GLU 105 Ca 0.58 -0.80 -0.18 0.00 -0.15 0.00 0.00 54.97 54.42 1qto s GLU 105 Cb -0.16 0.54 0.02 0.00 -0.44 0.00 0.00 34.13 34.08 1qto s GLU 105 CO 0.21 -0.69 0.60 -0.59 0.95 0.00 0.00 175.26 175.74 1qto s PHE 106 N -3.67 -0.03 0.11 4.83 -0.71 -0.89 0.21 117.98 117.83 1qto s PHE 106 Ca 0.10 -0.36 0.04 0.00 -1.04 0.00 0.00 56.93 55.67 1qto s PHE 106 Cb -0.04 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1qto s PHE 106 CO 0.03 -1.08 -0.11 0.00 -1.34 0.00 0.00 175.22 172.72 1qto s ALA 107 N -3.93 1.24 -0.03 1.99 0.00 -1.26 -0.82 121.76 118.94 1qto s ALA 107 Ca 0.13 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1qto s ALA 107 Cb -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1qto s ALA 107 CO 0.04 -0.01 -0.15 0.08 0.00 0.00 0.00 175.76 175.72 1qto s VAL 108 N -2.46 1.26 -0.25 0.00 1.01 -0.07 -1.17 120.40 118.72 1qto s VAL 108 Ca 0.07 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 1qto s VAL 108 Cb -0.03 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1qto s VAL 108 CO 0.01 0.37 0.03 -0.60 0.00 0.00 0.00 175.10 174.90 1qto s ARG 109 N -0.02 3.40 0.83 2.72 3.52 -0.02 -0.88 118.95 128.51 1qto s ARG 109 Ca -0.02 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 54.84 1qto s ARG 109 Cb -0.10 -3.22 0.12 0.00 -1.56 0.00 0.00 34.95 30.19 1qto s ARG 109 CO 0.01 -0.26 1.18 0.16 -0.81 0.00 0.00 175.30 175.59 1qto s ASP 110 N 1.53 4.09 0.55 -2.12 1.47 -0.74 -2.14 116.67 119.31 1qto s ASP 110 Ca 0.05 0.48 0.25 0.00 1.18 0.00 0.00 52.55 54.51 1qto s ASP 110 Cb -0.15 -0.84 1.44 0.00 -0.34 0.00 0.00 42.92 43.03 1qto s ASP 110 CO 0.01 -2.12 2.03 -0.65 0.68 0.00 0.00 175.17 175.11 1qto h PRO 111 N -1.13 0.00 0.00 2.11 0.11 -1.91 -1.53 132.00 129.65 1qto h PRO 111 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qto h PRO 111 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1qto h PRO 111 CO 0.54 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 1qto h ALA 112 N 1.75 1.00 0.00 -0.75 0.00 -1.92 -3.46 119.26 115.87 1qto h ALA 112 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qto h ALA 112 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qto h ALA 112 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1qto n GLY 113 N 1.16 0.94 3.76 0.00 0.00 -0.58 -4.39 105.19 106.09 1qto n GLY 113 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1qto n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qto s ASN 114 N -1.89 5.72 -0.26 1.61 -0.87 -1.18 -4.32 114.94 113.75 1qto s ASN 114 Ca 0.00 2.51 -0.03 0.00 -1.57 0.00 0.00 52.86 53.77 1qto s ASN 114 Cb 0.00 -2.62 0.02 0.00 -0.02 0.00 0.00 41.25 38.63 1qto s ASN 114 CO 0.00 -1.24 -0.02 0.00 -2.57 0.00 0.00 177.10 173.27 1qto s VAL 116 N 1.37 3.00 -0.08 0.00 1.01 -0.06 -1.89 120.40 123.75 1qto s VAL 116 Ca 0.01 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1qto s VAL 116 Cb -0.17 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1qto s VAL 116 CO -0.03 0.50 0.21 -1.00 0.00 0.00 0.00 175.10 174.78 1qto s HIS 117 N 0.76 3.62 -0.20 5.22 3.76 0.23 -0.89 115.29 127.79 1qto s HIS 117 Ca -0.05 0.62 0.01 0.00 -0.15 0.00 0.00 55.06 55.49 1qto s HIS 117 Cb -0.15 -2.01 0.03 0.00 1.11 0.00 0.00 32.58 31.56 1qto s HIS 117 CO 0.01 0.71 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.39 1qto s PHE 118 N -1.08 2.91 0.19 1.40 0.40 -0.00 0.04 117.98 121.84 1qto s PHE 118 Ca 0.18 -1.73 0.10 0.00 -0.60 0.00 0.00 56.93 54.88 1qto s PHE 118 Cb -0.13 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1qto s PHE 118 CO 0.08 -0.80 -0.20 0.95 0.70 0.00 0.00 175.22 175.95 1qto s THR 119 N 1.27 2.05 0.16 0.64 -4.23 -0.29 -2.09 115.64 113.14 1qto s THR 119 Ca 0.02 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.19 1qto s THR 119 Cb -0.15 -1.99 -0.09 0.00 1.34 0.00 0.00 72.50 71.61 1qto s THR 119 CO -0.10 -0.29 1.40 0.00 -0.54 0.00 0.00 174.62 175.09 1qto s ALA 120 N -2.05 3.61 0.25 3.99 0.00 -1.00 -0.92 121.76 125.63 1qto s ALA 120 Ca 0.19 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.35 1qto s ALA 120 Cb -0.06 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1qto s ALA 120 CO 0.09 -0.63 0.07 0.20 0.00 0.00 0.00 175.76 175.48 1qto s GLY 121 N 0.81 1.68 0.00 0.00 0.00 0.25 -4.80 107.32 105.26 1qto s GLY 121 Ca 0.63 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1qto s GLY 121 CO 0.34 -1.61 0.35 1.18 0.00 0.00 0.00 173.10 173.37