#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dcq s SER 2 N 0.00 4.80 -0.05 1.61 0.15 -1.26 -4.94 113.70 114.01 2dcq s SER 2 Ca 0.00 2.43 0.07 0.00 0.70 0.00 0.00 55.95 59.15 2dcq s SER 2 Cb 0.00 -2.60 0.10 0.00 -1.71 0.00 0.00 66.02 61.81 2dcq s SER 2 CO 0.00 -1.86 1.03 -1.20 1.20 0.00 0.00 173.24 172.41 2dcq n SER 3 N -1.96 1.95 -4.46 5.45 7.64 -1.26 -5.03 113.62 115.95 2dcq n SER 3 Ca 0.14 -2.33 -0.33 0.00 1.01 0.00 0.00 58.87 57.36 2dcq n SER 3 Cb 0.49 -0.16 -0.13 0.00 -1.01 0.00 0.00 64.21 63.41 2dcq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dcq s GLY 4 N -1.61 1.65 0.19 0.23 0.00 -1.26 -4.95 107.32 101.57 2dcq s GLY 4 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2dcq s GLY 4 CO 0.01 -0.20 0.00 1.44 0.00 0.00 0.00 173.10 174.35 2dcq n SER 5 N 3.34 0.06 -4.58 1.64 7.64 -1.26 -5.10 113.62 115.37 2dcq n SER 5 Ca -0.18 0.31 -0.44 0.00 1.01 0.00 0.00 58.87 59.58 2dcq n SER 5 Cb 0.53 0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.91 2dcq n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dcq n SER 6 N -3.23 1.12 -4.46 6.43 7.64 -1.26 -4.88 113.62 114.98 2dcq n SER 6 Ca 0.00 1.13 -0.22 0.00 1.01 0.00 0.00 58.87 60.79 2dcq n SER 6 Cb 0.00 -1.29 -0.11 0.00 -1.01 0.00 0.00 64.21 61.81 2dcq n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dcq s GLY 7 N -0.62 1.99 0.98 0.23 0.00 -0.65 -4.91 107.32 104.34 2dcq s GLY 7 Ca 0.60 -2.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.20 2dcq s GLY 7 CO 0.59 -1.86 1.09 -0.56 0.00 0.00 0.00 173.10 172.36 2dcq s SER 8 N -3.49 2.59 0.02 1.64 0.01 -1.26 -1.31 113.70 111.90 2dcq s SER 8 Ca 0.32 1.65 -0.25 0.00 1.31 0.00 0.00 55.95 58.99 2dcq s SER 8 Cb 0.06 -2.30 -0.17 0.00 0.21 0.00 0.00 66.02 63.82 2dcq s SER 8 CO 0.14 -3.22 1.32 0.00 0.41 0.00 0.00 173.24 171.89 2dcq h ALA 9 N -1.95 -0.30 0.00 1.44 0.00 -1.80 -2.04 119.26 114.61 2dcq h ALA 9 Ca -0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2dcq h ALA 9 Cb 1.30 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2dcq h ALA 9 CO 0.50 -0.51 -0.02 0.87 0.00 0.00 0.00 179.25 180.09 2dcq h LYS 10 N -0.61 0.00 -0.03 0.00 1.57 -1.90 -2.83 116.57 112.77 2dcq h LYS 10 Ca -0.03 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2dcq h LYS 10 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2dcq h LYS 10 CO 0.05 0.02 -0.10 -0.97 -0.57 0.00 0.00 179.45 177.89 2dcq h ASN 11 N 0.00 -0.29 0.40 0.86 -0.00 -1.72 0.18 115.58 115.02 2dcq h ASN 11 Ca -0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 56.33 2dcq h ASN 11 Cb 0.08 0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 2dcq h ASN 11 CO 0.00 -0.14 -0.19 0.00 -0.00 0.00 0.00 177.43 177.10 2dcq h ALA 12 N 0.86 -0.54 -0.64 1.57 0.00 -1.49 -1.97 119.26 117.04 2dcq h ALA 12 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dcq h ALA 12 Cb 0.22 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2dcq h ALA 12 CO -0.12 -0.81 0.41 -0.92 0.00 0.00 0.00 179.25 177.81 2dcq h TYR 13 N -0.55 0.82 -0.16 0.00 3.20 -1.42 -0.57 116.97 118.29 2dcq h TYR 13 Ca -0.06 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.87 2dcq h TYR 13 Cb 0.42 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 2dcq h TYR 13 CO -0.05 0.53 -0.15 1.15 -1.64 0.00 0.00 178.16 178.01 2dcq h THR 14 N 0.87 0.59 -0.27 1.81 2.02 -0.53 -2.76 112.91 114.65 2dcq h THR 14 Ca 0.23 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 2dcq h THR 14 Cb -0.07 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2dcq h THR 14 CO -0.05 0.00 0.17 0.11 0.37 0.00 0.00 175.52 176.12 2dcq h LYS 15 N -0.17 0.36 -0.96 6.66 1.79 -0.79 -2.62 116.57 120.84 2dcq h LYS 15 Ca 0.10 -0.03 0.30 0.00 -2.18 0.00 0.00 60.65 58.85 2dcq h LYS 15 Cb 0.32 -0.08 -0.15 0.00 -1.58 0.00 0.00 32.23 30.74 2dcq h LYS 15 CO -0.26 0.27 0.44 1.25 -1.08 0.00 0.00 179.45 180.07 2dcq h LEU 16 N 0.34 0.29 -2.61 2.94 5.85 -0.85 -0.24 115.31 121.04 2dcq h LEU 16 Ca 0.10 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2dcq h LEU 16 Cb 0.00 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2dcq h LEU 16 CO -0.02 -0.18 0.00 0.61 -0.34 0.00 0.00 178.44 178.51 2dcq n GLY 17 N -1.33 2.23 0.00 3.75 0.00 -1.03 -4.05 105.19 104.76 2dcq n GLY 17 Ca 0.29 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.67 2dcq n GLY 17 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dcq n THR 18 N 1.33 0.00 -3.54 2.61 5.66 -0.23 -4.88 114.28 115.24 2dcq n THR 18 Ca 0.20 -0.29 -0.29 0.00 -3.05 0.00 0.00 64.05 60.62 2dcq n THR 18 Cb 0.56 0.91 -0.14 0.00 -1.55 0.00 0.00 70.33 70.11 2dcq n THR 18 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2dcq s ASP 19 N -1.97 3.36 0.00 1.09 1.01 -0.46 -5.00 116.67 114.70 2dcq s ASP 19 Ca 0.02 -1.74 0.10 0.00 0.71 0.00 0.00 52.55 51.65 2dcq s ASP 19 Cb 0.06 -0.45 0.45 0.00 1.01 0.00 0.00 42.92 43.99 2dcq s ASP 19 CO 0.35 -0.38 1.33 -0.67 0.21 0.00 0.00 175.17 176.02 2dcq n ASP 20 N 4.65 0.00 -0.10 0.27 2.03 -1.26 -0.67 116.55 121.47 2dcq n ASP 20 Ca 0.02 0.49 0.14 0.00 0.52 0.00 0.00 54.79 55.95 2dcq n ASP 20 Cb 0.40 -0.49 0.51 0.00 -0.72 0.00 0.00 41.12 40.81 2dcq n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2dcq n ASN 21 N -1.49 0.50 -4.80 1.67 4.13 -1.26 -4.85 115.26 109.15 2dcq n ASN 21 Ca 0.03 -0.42 -0.32 0.00 1.68 0.00 0.00 54.58 55.55 2dcq n ASN 21 Cb 0.12 -0.04 0.04 0.00 -1.54 0.00 0.00 39.78 38.36 2dcq n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dcq s ALA 22 N -2.64 2.60 0.22 5.41 0.00 0.16 -3.25 121.76 124.25 2dcq s ALA 22 Ca 0.23 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 2dcq s ALA 22 Cb 0.19 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2dcq s ALA 22 CO 0.53 -1.18 0.20 -0.65 0.00 0.00 0.00 175.76 174.65 2dcq s GLN 23 N -4.56 1.30 -0.08 0.00 -1.52 -0.57 -4.93 119.66 109.29 2dcq s GLN 23 Ca 0.62 -1.60 0.01 0.00 -1.95 0.00 0.00 55.36 52.43 2dcq s GLN 23 Cb -0.16 0.31 0.02 0.00 -0.22 0.00 0.00 33.01 32.95 2dcq s GLN 23 CO 0.47 -0.45 -0.10 -1.17 -0.25 0.00 0.00 175.29 173.79 2dcq s LEU 24 N -3.16 1.42 -0.51 2.90 1.98 -1.26 -1.10 118.68 118.95 2dcq s LEU 24 Ca 0.37 -0.29 -0.01 0.00 -2.89 0.00 0.00 54.13 51.31 2dcq s LEU 24 Cb 0.05 -0.80 0.13 0.00 0.66 0.00 0.00 46.19 46.24 2dcq s LEU 24 CO 0.13 -0.04 0.29 -0.22 -1.89 0.00 0.00 176.35 174.62 2dcq s LEU 25 N 1.14 4.99 -0.53 -0.68 1.98 -0.82 -1.10 118.68 123.65 2dcq s LEU 25 Ca -0.06 -2.58 -0.28 0.00 -2.89 0.00 0.00 54.13 48.33 2dcq s LEU 25 Cb -0.14 -1.77 0.00 0.00 0.66 0.00 0.00 46.19 44.93 2dcq s LEU 25 CO -0.02 -0.39 1.58 1.51 -1.89 0.00 0.00 176.35 177.14 2dcq s ASP 26 N 0.82 5.90 0.00 3.68 -4.77 -0.55 -1.88 116.67 119.88 2dcq s ASP 26 Ca 0.14 0.48 0.22 0.00 -3.30 0.00 0.00 52.55 50.08 2dcq s ASP 26 Cb -0.22 -2.54 0.93 0.00 -1.09 0.00 0.00 42.92 40.01 2dcq s ASP 26 CO -0.03 -1.85 1.65 2.30 0.70 0.00 0.00 175.17 177.93 2dcq n ILE 27 N 7.03 0.12 -1.35 2.11 -5.35 -0.58 -1.15 119.36 120.18 2dcq n ILE 27 Ca 0.16 -0.23 -0.32 0.00 -0.27 0.00 0.00 62.75 62.08 2dcq n ILE 27 Cb 0.49 0.19 0.09 0.00 -1.74 0.00 0.00 39.64 38.67 2dcq n ILE 27 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2dcq s ARG 28 N -1.88 2.22 0.68 6.28 0.52 -1.24 -2.71 118.95 122.82 2dcq s ARG 28 Ca 0.33 1.38 -0.14 0.00 -0.52 0.00 0.00 55.73 56.78 2dcq s ARG 28 Cb 0.17 -1.88 0.01 0.00 0.52 0.00 0.00 34.95 33.77 2dcq s ARG 28 CO 0.27 -1.70 1.11 0.00 0.02 0.00 0.00 175.30 174.99 2dcq s ALA 29 N -2.55 2.43 0.27 2.13 0.00 -1.26 -4.05 121.76 118.72 2dcq s ALA 29 Ca 0.66 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 2dcq s ALA 29 Cb -0.21 -3.31 0.46 0.00 0.00 0.00 0.00 23.12 20.06 2dcq s ALA 29 CO 0.50 -1.38 1.84 1.15 0.00 0.00 0.00 175.76 177.88 2dcq h THR 30 N -0.21 0.97 0.00 0.00 2.02 -2.00 0.28 112.91 113.98 2dcq h THR 30 Ca -0.46 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 2dcq h THR 30 Cb 1.24 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2dcq h THR 30 CO 0.53 0.18 -0.28 0.00 0.37 0.00 0.00 175.52 176.33 2dcq h ALA 31 N 1.49 1.06 0.00 6.16 0.00 -2.00 -2.90 119.26 123.05 2dcq h ALA 31 Ca 0.45 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2dcq h ALA 31 Cb 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2dcq h ALA 31 CO -0.23 0.35 -0.26 0.22 0.00 0.00 0.00 179.25 179.33 2dcq h ASP 32 N 0.00 0.00 1.19 0.00 3.58 -1.29 0.61 116.42 120.51 2dcq h ASP 32 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dcq h ASP 32 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2dcq h ASP 32 CO 0.04 0.26 0.00 -0.26 -2.88 0.00 0.00 179.24 176.40 2dcq h PHE 33 N 0.00 0.00 0.17 0.28 -1.00 -1.41 0.13 116.94 115.11 2dcq h PHE 33 Ca -0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.42 2dcq h PHE 33 Cb 0.48 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.04 2dcq h PHE 33 CO 0.00 0.00 -1.80 0.00 -1.61 0.00 0.00 178.31 174.90 2dcq h ARG 34 N 0.00 0.36 0.00 1.51 2.47 -1.03 -2.99 114.38 114.70 2dcq h ARG 34 Ca 0.00 -0.61 -0.29 0.00 -1.26 0.00 0.00 59.98 57.82 2dcq h ARG 34 Cb 0.60 0.23 -0.05 0.00 -1.65 0.00 0.00 29.97 29.10 2dcq h ARG 34 CO 0.00 1.28 -1.84 0.00 0.56 0.00 0.00 179.97 179.98 2dcq n GLN 35 N -3.56 0.64 -0.03 0.04 10.64 -0.34 -4.66 117.38 120.12 2dcq n GLN 35 Ca -0.26 0.20 -0.03 0.00 -1.83 0.00 0.00 57.00 55.08 2dcq n GLN 35 Cb 1.07 -1.72 -0.04 0.00 -0.86 0.00 0.00 30.24 28.68 2dcq n GLN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2dcq n VAL 36 N -2.93 0.40 0.00 -0.39 0.31 0.42 -4.78 118.33 111.37 2dcq n VAL 36 Ca -0.19 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2dcq n VAL 36 Cb 1.04 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 2dcq n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dcq n GLY 37 N 2.76 0.43 3.50 2.92 0.00 -1.02 -4.55 105.19 109.24 2dcq n GLY 37 Ca -0.10 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 2dcq n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dcq s SER 38 N -4.00 -0.41 0.33 1.61 1.04 -1.26 -4.10 113.70 106.90 2dcq s SER 38 Ca 0.00 0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.26 2dcq s SER 38 Cb 0.00 0.41 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 2dcq s SER 38 CO 0.00 -0.63 1.27 -2.16 0.98 0.00 0.00 173.24 172.70 2dcq s PRO 39 N -2.77 4.37 -0.41 4.02 0.04 -1.26 -0.43 135.00 138.56 2dcq s PRO 39 Ca 0.02 2.13 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 2dcq s PRO 39 Cb -0.01 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.53 2dcq s PRO 39 CO -0.07 -0.15 0.26 1.21 0.04 0.00 0.00 177.00 178.30 2dcq s ASN 40 N -0.59 5.81 -0.02 6.66 2.47 -1.23 -4.49 114.94 123.54 2dcq s ASN 40 Ca 0.49 -1.17 0.11 0.00 0.42 0.00 0.00 52.86 52.70 2dcq s ASN 40 Cb -0.38 -2.05 0.31 0.00 -1.45 0.00 0.00 41.25 37.68 2dcq s ASN 40 CO 0.50 -0.47 1.26 2.30 -3.72 0.00 0.00 177.10 176.97 2dcq n ILE 41 N 5.02 1.12 0.25 -5.21 -5.35 -1.26 -4.49 119.36 109.44 2dcq n ILE 41 Ca -0.11 -1.08 0.12 0.00 -0.27 0.00 0.00 62.75 61.41 2dcq n ILE 41 Cb 0.45 0.43 0.64 0.00 -1.74 0.00 0.00 39.64 39.42 2dcq n ILE 41 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2dcq h LYS 42 N 1.93 0.00 0.00 6.28 3.11 -1.73 0.15 116.57 126.31 2dcq h LYS 42 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2dcq h LYS 42 Cb 0.79 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.02 2dcq h LYS 42 CO 0.02 0.16 -0.01 0.78 -2.81 0.00 0.00 179.45 177.59 2dcq h GLY 43 N 1.31 0.00 1.37 5.01 0.00 -1.85 -0.63 103.07 108.28 2dcq h GLY 43 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 2dcq h GLY 43 CO 0.02 0.00 -1.44 0.17 0.00 0.00 0.00 176.54 175.29 2dcq h LEU 44 N 0.00 0.25 0.00 3.11 8.10 -1.33 -3.49 115.31 121.95 2dcq h LEU 44 Ca -0.00 -0.34 0.00 0.00 0.11 0.00 0.00 57.88 57.65 2dcq h LEU 44 Cb 0.03 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 2dcq h LEU 44 CO 0.00 1.28 0.00 0.61 -4.11 0.00 0.00 178.44 176.22 2dcq n GLY 45 N 1.58 0.81 3.62 0.17 0.00 -0.24 -4.98 105.19 106.14 2dcq n GLY 45 Ca -0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2dcq n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dcq s LYS 46 N 0.00 1.57 0.79 1.61 0.00 -1.22 -4.88 119.74 117.60 2dcq s LYS 46 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 55.97 54.67 2dcq s LYS 46 Cb 0.00 0.49 0.07 0.00 0.00 0.00 0.00 37.83 38.39 2dcq s LYS 46 CO 0.00 -0.66 1.15 0.15 0.00 0.00 0.00 175.35 175.99 2dcq s LYS 47 N -3.99 2.15 0.87 1.78 3.01 -1.26 -1.96 119.74 120.34 2dcq s LYS 47 Ca 0.20 0.24 -0.13 0.00 -1.01 0.00 0.00 55.97 55.27 2dcq s LYS 47 Cb -0.01 -1.96 0.14 0.00 -1.01 0.00 0.00 37.83 34.98 2dcq s LYS 47 CO 0.08 -1.49 1.23 0.00 0.51 0.00 0.00 175.35 175.68 2dcq s ALA 48 N -3.48 2.53 -0.49 5.17 0.00 -1.26 -4.94 121.76 119.28 2dcq s ALA 48 Ca 0.61 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 2dcq s ALA 48 Cb -0.11 -2.82 0.12 0.00 0.00 0.00 0.00 23.12 20.30 2dcq s ALA 48 CO 0.50 -2.00 0.40 0.08 0.00 0.00 0.00 175.76 174.74 2dcq s VAL 49 N -3.69 4.68 -0.33 0.00 1.01 -0.26 -4.97 120.40 116.85 2dcq s VAL 49 Ca 0.68 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2dcq s VAL 49 Cb -0.07 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2dcq s VAL 49 CO 0.50 -0.78 1.19 -0.94 0.00 0.00 0.00 175.10 175.08 2dcq s SER 50 N 2.99 6.77 -0.27 3.32 1.04 -1.26 -1.48 113.70 124.80 2dcq s SER 50 Ca 0.04 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2dcq s SER 50 Cb -0.27 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.46 2dcq s SER 50 CO 0.01 -1.03 0.41 -0.89 0.98 0.00 0.00 173.24 172.73 2dcq s THR 51 N 4.11 -0.65 0.03 2.02 2.01 -0.30 -4.96 115.64 117.89 2dcq s THR 51 Ca 0.51 -0.19 -0.34 0.00 0.31 0.00 0.00 61.69 61.98 2dcq s THR 51 Cb -0.14 -0.93 -0.13 0.00 0.01 0.00 0.00 72.50 71.32 2dcq s THR 51 CO 0.21 -0.20 1.72 0.52 -0.69 0.00 0.00 174.62 176.18 2dcq n VAL 52 N 5.36 0.28 -2.24 3.82 0.31 -1.26 -4.04 118.33 120.57 2dcq n VAL 52 Ca -0.01 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.86 2dcq n VAL 52 Cb 0.50 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.73 2dcq n VAL 52 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2dcq s TYR 53 N 2.46 3.26 -0.01 3.52 5.04 -1.10 -5.02 117.35 125.50 2dcq s TYR 53 Ca 0.86 1.35 0.01 0.00 -2.44 0.00 0.00 57.07 56.86 2dcq s TYR 53 Cb -0.70 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.04 2dcq s TYR 53 CO 0.45 -1.64 -0.04 0.54 -1.34 0.00 0.00 175.55 173.51 2dcq s ASN 54 N -0.06 0.58 0.00 4.32 2.20 -1.26 -5.04 114.94 115.67 2dcq s ASN 54 Ca 0.53 -0.09 0.11 0.00 -0.94 0.00 0.00 52.86 52.47 2dcq s ASN 54 Cb -0.36 -0.10 -0.01 0.00 -2.00 0.00 0.00 41.25 38.78 2dcq s ASN 54 CO 0.42 0.04 0.65 0.61 -2.94 0.00 0.00 177.10 175.88 2dcq n GLY 55 N 3.12 -0.13 0.29 0.45 0.00 -1.26 -4.49 105.19 103.17 2dcq n GLY 55 Ca -0.15 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 45.59 2dcq n GLY 55 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dcq h GLU 56 N 1.14 0.69 -3.01 1.61 4.81 -2.03 -3.30 114.58 114.49 2dcq h GLU 56 Ca 0.00 -0.04 -0.61 0.00 -0.13 0.00 0.00 59.36 58.58 2dcq h GLU 56 Cb 0.36 -0.15 -0.40 0.00 0.63 0.00 0.00 28.75 29.18 2dcq h GLU 56 CO 0.00 0.45 -0.73 0.34 -0.73 0.00 0.00 179.01 178.35 2dcq s ASP 57 N -5.55 3.69 0.11 1.04 2.15 -1.26 -5.03 116.67 111.81 2dcq s ASP 57 Ca -0.12 -2.70 -0.34 0.00 0.43 0.00 0.00 52.55 49.81 2dcq s ASP 57 Cb 0.19 -1.09 -0.14 0.00 -0.30 0.00 0.00 42.92 41.58 2dcq s ASP 57 CO 0.77 -0.26 1.55 0.11 -0.17 0.00 0.00 175.17 177.18 2dcq h LYS 58 N 6.65 -0.68 0.00 4.34 1.79 -1.79 -2.25 116.57 124.63 2dcq h LYS 58 Ca -0.01 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2dcq h LYS 58 Cb 0.92 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2dcq h LYS 58 CO 0.50 -0.45 0.00 -1.00 -1.08 0.00 0.00 179.45 177.42 2dcq h PRO 59 N -0.71 0.00 -0.16 3.15 0.13 -1.95 -2.61 132.00 129.86 2dcq h PRO 59 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dcq h PRO 59 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2dcq h PRO 59 CO -0.32 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.86 2dcq n GLY 60 N -0.76 0.01 0.08 1.56 0.00 -0.86 -3.77 105.19 101.46 2dcq n GLY 60 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2dcq n GLY 60 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dcq n PHE 61 N 0.09 0.00 0.06 1.61 7.35 -0.98 -4.56 117.46 121.02 2dcq n PHE 61 Ca 0.14 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.84 2dcq n PHE 61 Cb 0.25 -0.63 0.08 0.00 0.35 0.00 0.00 39.48 39.53 2dcq n PHE 61 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dcq n LEU 62 N -2.96 0.05 0.06 -2.13 4.77 -1.25 -2.94 117.00 112.61 2dcq n LEU 62 Ca -0.29 0.52 0.05 0.00 -0.03 0.00 0.00 56.01 56.27 2dcq n LEU 62 Cb 0.81 -0.53 0.26 0.00 -2.33 0.00 0.00 43.42 41.63 2dcq n LEU 62 CO 0.17 -0.52 0.66 2.29 -1.33 0.00 0.00 177.39 178.65 2dcq n LYS 63 N -1.57 0.06 0.00 3.23 -0.00 -1.26 -0.71 118.16 117.91 2dcq n LYS 63 Ca 0.00 0.51 0.11 0.00 -0.00 0.00 0.00 58.31 58.93 2dcq n LYS 63 Cb 0.02 -1.67 -0.00 0.00 -0.00 0.00 0.00 35.03 33.38 2dcq n LYS 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2dcq n LYS 64 N -1.79 0.05 -0.06 -1.58 5.02 -1.15 -4.65 118.16 114.00 2dcq n LYS 64 Ca 0.00 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 2dcq n LYS 64 Cb 0.05 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.42 2dcq n LYS 64 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dcq n LEU 65 N -1.57 2.31 -0.17 -0.35 4.32 0.11 -3.95 117.00 117.69 2dcq n LEU 65 Ca 0.04 0.28 0.25 0.00 -0.02 0.00 0.00 56.01 56.56 2dcq n LEU 65 Cb 0.35 -1.03 0.67 0.00 -1.62 0.00 0.00 43.42 41.79 2dcq n LEU 65 CO 0.41 0.62 1.24 0.28 -1.22 0.00 0.00 177.39 178.72 2dcq h SER 66 N -0.43 0.09 -0.22 -1.43 0.02 -1.82 -0.35 113.55 109.41 2dcq h SER 66 Ca -0.43 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2dcq h SER 66 Cb 1.71 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.25 2dcq h SER 66 CO -0.08 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.65 2dcq n LEU 67 N -4.34 2.65 -0.08 5.07 -0.00 -1.26 -4.47 117.00 114.58 2dcq n LEU 67 Ca 0.18 -1.46 -0.10 0.00 -0.00 0.00 0.00 56.01 54.63 2dcq n LEU 67 Cb 0.86 -0.14 -0.09 0.00 -0.00 0.00 0.00 43.42 44.06 2dcq n LEU 67 CO 0.37 0.58 -1.01 0.29 -0.00 0.00 0.00 177.39 177.62 2dcq n LYS 68 N 0.81 1.02 -0.99 1.47 4.01 -0.18 -5.03 118.16 119.27 2dcq n LYS 68 Ca 0.11 0.05 -0.04 0.00 -0.51 0.00 0.00 58.31 57.93 2dcq n LYS 68 Cb 0.41 -1.34 0.02 0.00 -0.51 0.00 0.00 35.03 33.61 2dcq n LYS 68 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2dcq n PHE 69 N -2.78 -3.24 0.00 2.13 3.01 -0.98 -5.07 117.46 110.52 2dcq n PHE 69 Ca -0.27 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 57.90 2dcq n PHE 69 Cb 0.87 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 2dcq n PHE 69 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2dcq n LYS 70 N -1.28 0.00 -3.68 -1.08 -0.00 -1.26 -4.97 118.16 105.89 2dcq n LYS 70 Ca 0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.06 2dcq n LYS 70 Cb 0.09 -0.64 -0.11 0.00 -0.00 0.00 0.00 35.03 34.38 2dcq n LYS 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2dcq n ASP 71 N -2.14 2.07 -0.06 -5.58 2.03 -1.26 -4.93 116.55 106.69 2dcq n ASP 71 Ca 0.00 -3.00 -0.05 0.00 0.52 0.00 0.00 54.79 52.26 2dcq n ASP 71 Cb 0.24 -0.69 0.15 0.00 -0.72 0.00 0.00 41.12 40.10 2dcq n ASP 71 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dcq h PRO 72 N 5.24 0.68 0.00 -0.67 0.13 -1.92 -3.09 132.00 132.37 2dcq h PRO 72 Ca 0.18 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2dcq h PRO 72 Cb 0.79 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2dcq h PRO 72 CO 0.63 0.80 0.00 1.05 -0.23 0.00 0.00 178.00 180.25 2dcq h GLU 73 N 0.61 0.00 0.00 0.86 4.11 -1.90 -1.67 114.58 116.58 2dcq h GLU 73 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2dcq h GLU 73 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2dcq h GLU 73 CO 0.04 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.39 2dcq n ASN 74 N -2.98 0.95 -4.68 3.06 0.23 -1.26 -3.02 115.26 107.57 2dcq n ASN 74 Ca -0.01 -1.18 -0.42 0.00 -0.53 0.00 0.00 54.58 52.43 2dcq n ASN 74 Cb 0.16 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.84 2dcq n ASN 74 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2dcq s THR 75 N -0.18 3.69 -0.47 5.53 2.01 -0.63 -4.81 115.64 120.78 2dcq s THR 75 Ca 0.00 1.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.76 2dcq s THR 75 Cb 0.00 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.87 2dcq s THR 75 CO 0.00 -0.02 1.09 -0.89 -0.69 0.00 0.00 174.62 174.12 2dcq s THR 76 N 2.66 4.27 0.40 -0.82 2.01 -1.20 -4.06 115.64 118.90 2dcq s THR 76 Ca 0.65 1.15 -0.20 0.00 0.31 0.00 0.00 61.69 63.59 2dcq s THR 76 Cb -0.31 -4.57 -0.11 0.00 0.01 0.00 0.00 72.50 67.52 2dcq s THR 76 CO 0.26 -0.96 0.91 -0.76 -0.69 0.00 0.00 174.62 173.38 2dcq s LEU 77 N 4.29 4.00 -0.28 4.42 1.43 -1.13 -1.51 118.68 129.90 2dcq s LEU 77 Ca 0.46 1.63 0.02 0.00 -1.03 0.00 0.00 54.13 55.21 2dcq s LEU 77 Cb -0.08 -4.41 0.08 0.00 0.03 0.00 0.00 46.19 41.81 2dcq s LEU 77 CO 0.30 -0.30 -0.00 -0.31 0.23 0.00 0.00 176.35 176.27 2dcq s TYR 78 N -2.09 2.82 0.23 0.29 1.51 -0.26 -0.91 117.35 118.94 2dcq s TYR 78 Ca 0.59 -2.22 -0.30 0.00 -1.01 0.00 0.00 57.07 54.14 2dcq s TYR 78 Cb -0.10 -2.07 -0.09 0.00 -0.11 0.00 0.00 41.96 39.59 2dcq s TYR 78 CO 0.15 -0.86 1.12 0.42 -1.11 0.00 0.00 175.55 175.27 2dcq s ILE 79 N 1.24 3.60 -0.27 2.71 1.09 -0.54 -1.95 121.20 127.08 2dcq s ILE 79 Ca 0.02 1.48 0.01 0.00 -1.10 0.00 0.00 60.65 61.06 2dcq s ILE 79 Cb -0.19 -3.94 0.07 0.00 -1.06 0.00 0.00 42.46 37.34 2dcq s ILE 79 CO -0.10 0.30 -0.01 -0.22 -0.10 0.00 0.00 174.94 174.81 2dcq s LEU 80 N -0.87 2.98 0.58 2.97 0.20 -0.79 -3.35 118.68 120.40 2dcq s LEU 80 Ca 0.48 -1.45 0.09 0.00 0.69 0.00 0.00 54.13 53.94 2dcq s LEU 80 Cb -0.31 -1.23 0.08 0.00 -0.43 0.00 0.00 46.19 44.29 2dcq s LEU 80 CO 0.38 -0.29 0.75 1.51 -0.29 0.00 0.00 176.35 178.42 2dcq s ASP 81 N 1.32 5.02 0.05 3.68 -4.77 -1.26 -1.53 116.67 119.18 2dcq s ASP 81 Ca -0.00 -0.92 -0.27 0.00 -3.30 0.00 0.00 52.55 48.06 2dcq s ASP 81 Cb -0.19 0.35 -0.17 0.00 -1.09 0.00 0.00 42.92 41.83 2dcq s ASP 81 CO -0.09 -1.33 1.51 0.11 0.70 0.00 0.00 175.17 176.06 2dcq h LYS 82 N 0.23 -0.37 0.00 2.11 1.57 -1.91 -1.36 116.57 116.85 2dcq h LYS 82 Ca -0.30 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2dcq h LYS 82 Cb 1.29 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2dcq h LYS 82 CO 0.43 -0.14 0.00 0.34 -0.57 0.00 0.00 179.45 179.51 2dcq n PHE 83 N -5.19 -0.48 0.18 -1.35 7.35 -1.26 -0.13 117.46 116.58 2dcq n PHE 83 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 2dcq n PHE 83 Cb 0.22 0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.17 2dcq n PHE 83 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2dcq n ASP 84 N -1.75 -1.75 0.00 -2.13 8.00 -1.26 -3.26 116.55 114.40 2dcq n ASP 84 Ca 0.00 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2dcq n ASP 84 Cb 0.00 1.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 2dcq n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dcq n GLY 85 N 0.34 1.96 2.17 0.44 0.00 -1.26 -2.85 105.19 105.99 2dcq n GLY 85 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 2dcq n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dcq n ASN 86 N 5.93 0.14 -0.15 1.61 4.13 -1.26 -5.00 115.26 120.67 2dcq n ASN 86 Ca 0.00 -2.07 -0.03 0.00 1.68 0.00 0.00 54.58 54.16 2dcq n ASN 86 Cb 0.00 0.02 0.04 0.00 -1.54 0.00 0.00 39.78 38.30 2dcq n ASN 86 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2dcq h SER 87 N 1.34 -0.33 -0.70 6.41 4.64 -1.91 -1.63 113.55 121.37 2dcq h SER 87 Ca -0.32 0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.17 2dcq h SER 87 Cb 1.44 0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.73 2dcq h SER 87 CO -0.03 -0.12 0.42 -0.33 -0.87 0.00 0.00 176.83 175.91 2dcq h GLU 88 N 0.05 0.77 0.34 4.77 5.08 -1.92 -0.88 114.58 122.78 2dcq h GLU 88 Ca 0.23 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2dcq h GLU 88 Cb 0.35 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2dcq h GLU 88 CO -0.45 0.51 -0.16 1.25 -1.00 0.00 0.00 179.01 179.16 2dcq h LEU 89 N 0.80 -0.39 -1.51 1.33 7.12 -1.78 -2.61 115.31 118.27 2dcq h LEU 89 Ca 0.30 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.27 2dcq h LEU 89 Cb 0.10 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 2dcq h LEU 89 CO -0.14 -0.28 -0.25 0.58 -0.13 0.00 0.00 178.44 178.22 2dcq h VAL 90 N -0.46 0.93 0.00 1.05 2.07 -0.98 -1.63 116.25 117.23 2dcq h VAL 90 Ca -0.05 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2dcq h VAL 90 Cb 0.35 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2dcq h VAL 90 CO 0.07 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.91 2dcq h ALA 91 N 1.75 1.00 -0.34 1.67 0.00 -0.80 -1.43 119.26 121.12 2dcq h ALA 91 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dcq h ALA 91 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2dcq h ALA 91 CO 0.03 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.43 2dcq n GLU 92 N -2.94 3.17 -0.01 0.00 0.28 -0.64 -3.68 120.64 116.81 2dcq n GLU 92 Ca -0.00 -2.71 -0.05 0.00 -0.16 0.00 0.00 57.16 54.24 2dcq n GLU 92 Cb 0.23 -1.77 -0.02 0.00 1.43 0.00 0.00 31.44 31.32 2dcq n GLU 92 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2dcq n LEU 93 N -0.07 1.36 -0.37 -1.84 7.94 -0.56 -4.40 117.00 119.06 2dcq n LEU 93 Ca 0.20 0.21 0.05 0.00 -1.11 0.00 0.00 56.01 55.36 2dcq n LEU 93 Cb 0.83 -0.48 0.21 0.00 0.53 0.00 0.00 43.42 44.50 2dcq n LEU 93 CO 0.16 -0.46 1.25 -0.37 -1.11 0.00 0.00 177.39 176.87 2dcq h VAL 94 N -0.40 1.01 0.00 1.96 -1.51 -1.79 -0.37 116.25 115.14 2dcq h VAL 94 Ca -0.04 -0.38 -0.03 0.00 -1.23 0.00 0.00 66.70 65.03 2dcq h VAL 94 Cb 0.51 -0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 29.49 2dcq h VAL 94 CO -0.02 0.20 -0.14 0.00 -1.23 0.00 0.00 177.57 176.38 2dcq h ALA 95 N 1.50 1.56 -0.01 5.19 0.00 -1.83 -0.69 119.26 124.98 2dcq h ALA 95 Ca 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dcq h ALA 95 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2dcq h ALA 95 CO -0.22 0.17 -0.24 1.28 0.00 0.00 0.00 179.25 180.24 2dcq n LEU 96 N -4.07 0.81 -0.14 0.00 4.32 -0.20 -3.89 117.00 113.84 2dcq n LEU 96 Ca -0.02 -0.15 0.01 0.00 -0.02 0.00 0.00 56.01 55.83 2dcq n LEU 96 Cb 0.22 -0.16 0.03 0.00 -1.62 0.00 0.00 43.42 41.89 2dcq n LEU 96 CO 0.33 0.16 0.43 0.59 -1.22 0.00 0.00 177.39 177.68 2dcq n ASN 97 N -0.83 1.79 0.00 -1.43 3.02 -0.36 -4.97 115.26 112.48 2dcq n ASN 97 Ca 0.12 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 2dcq n ASN 97 Cb 0.33 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2dcq n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dcq n GLY 98 N -0.06 0.97 3.76 7.41 0.00 -0.64 -5.04 105.19 111.59 2dcq n GLY 98 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2dcq n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dcq s PHE 99 N 0.00 1.88 -0.00 1.61 0.40 -0.77 -4.04 117.98 117.06 2dcq s PHE 99 Ca 0.00 0.70 -0.00 0.00 -0.60 0.00 0.00 56.93 57.03 2dcq s PHE 99 Cb 0.00 -3.51 -0.00 0.00 0.51 0.00 0.00 43.02 40.02 2dcq s PHE 99 CO 0.00 -2.80 -0.00 -0.22 0.70 0.00 0.00 175.22 172.90 2dcq h LYS 100 N -1.80 0.00 -4.91 0.44 1.63 -1.59 -3.39 116.57 106.95 2dcq h LYS 100 Ca -0.49 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.00 2dcq h LYS 100 Cb 1.31 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.76 2dcq h LYS 100 CO 0.52 0.00 -0.73 -1.12 -3.45 0.00 0.00 179.45 174.66 2dcq s SER 101 N -3.22 1.36 0.20 4.20 0.01 -1.26 -4.72 113.70 110.26 2dcq s SER 101 Ca -0.00 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.47 2dcq s SER 101 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 2dcq s SER 101 CO 0.00 -0.26 0.12 0.00 0.41 0.00 0.00 173.24 173.52 2dcq s ALA 102 N -2.32 1.19 0.12 1.44 0.00 -1.24 -2.83 121.76 118.11 2dcq s ALA 102 Ca 0.03 -1.70 0.04 0.00 0.00 0.00 0.00 51.96 50.33 2dcq s ALA 102 Cb -0.04 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.39 2dcq s ALA 102 CO -0.00 -0.58 -0.10 0.71 0.00 0.00 0.00 175.76 175.79 2dcq s TYR 103 N -4.13 1.11 -0.05 0.00 1.51 -0.08 -4.83 117.35 110.86 2dcq s TYR 103 Ca 0.38 -0.74 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2dcq s TYR 103 Cb 0.07 -0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 41.32 2dcq s TYR 103 CO 0.12 0.00 -0.22 0.00 -1.11 0.00 0.00 175.55 174.34 2dcq s ALA 104 N -2.96 1.90 -0.32 3.71 0.00 -1.26 -1.47 121.76 121.37 2dcq s ALA 104 Ca 0.11 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 2dcq s ALA 104 Cb 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 2dcq s ALA 104 CO -0.01 0.35 0.75 -1.50 0.00 0.00 0.00 175.76 175.35 2dcq s ILE 105 N -0.04 4.82 0.78 0.00 2.07 -1.21 -1.63 121.20 125.99 2dcq s ILE 105 Ca -0.05 1.05 -0.14 0.00 -1.41 0.00 0.00 60.65 60.10 2dcq s ILE 105 Cb -0.13 -4.12 0.07 0.00 0.13 0.00 0.00 42.46 38.41 2dcq s ILE 105 CO 0.03 -0.25 1.22 1.17 -1.91 0.00 0.00 174.94 175.20 2dcq n LYS 106 N 6.15 0.33 -0.62 3.50 3.00 -0.43 -2.86 118.16 127.24 2dcq n LYS 106 Ca 0.02 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 2dcq n LYS 106 Cb 0.48 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 33.06 2dcq n LYS 106 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dcq n ASP 107 N -3.06 -0.93 0.00 3.14 9.92 -1.21 -4.54 116.55 119.88 2dcq n ASP 107 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2dcq n ASP 107 Cb 0.50 -2.41 0.00 0.00 -0.64 0.00 0.00 41.12 38.57 2dcq n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dcq n GLY 108 N -1.58 2.52 0.16 0.44 0.00 -1.14 -1.41 105.19 104.19 2dcq n GLY 108 Ca 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 2dcq n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dcq n ALA 109 N 10.51 1.68 0.82 4.61 0.00 -0.36 -0.47 120.51 137.30 2dcq n ALA 109 Ca 0.00 -0.72 0.12 0.00 0.00 0.00 0.00 53.44 52.83 2dcq n ALA 109 Cb 0.00 0.14 0.26 0.00 0.00 0.00 0.00 19.45 19.85 2dcq n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dcq n GLU 110 N -3.18 2.19 -1.76 0.00 -0.58 0.81 -3.04 120.64 115.08 2dcq n GLU 110 Ca -0.31 -1.78 -0.30 0.00 -0.42 0.00 0.00 57.16 54.35 2dcq n GLU 110 Cb 0.80 -1.47 0.18 0.00 -0.57 0.00 0.00 31.44 30.38 2dcq n GLU 110 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2dcq s GLY 111 N -1.67 1.70 0.53 0.62 0.00 -0.50 -4.96 107.32 103.04 2dcq s GLY 111 Ca 0.35 -1.02 0.32 0.00 0.00 0.00 0.00 44.72 44.36 2dcq s GLY 111 CO 0.30 -0.29 1.94 -0.56 0.00 0.00 0.00 173.10 174.49 2dcq h PRO 112 N -1.69 0.00 0.00 2.90 0.13 -1.93 -3.22 132.00 128.19 2dcq h PRO 112 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2dcq h PRO 112 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 2dcq h PRO 112 CO 0.44 0.03 -0.52 0.54 -0.23 0.00 0.00 178.00 178.26 2dcq n ARG 113 N -3.14 0.00 0.00 0.86 1.74 -1.26 -4.77 116.66 110.09 2dcq n ARG 113 Ca 0.01 -1.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 2dcq n ARG 113 Cb 0.34 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 2dcq n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dcq n GLY 114 N 0.04 -2.42 0.34 -0.13 0.00 -1.22 -4.40 105.19 97.40 2dcq n GLY 114 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 2dcq n GLY 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2dcq h TRP 115 N -1.19 -0.91 0.54 1.61 2.91 -0.89 -0.88 115.95 117.14 2dcq h TRP 115 Ca 0.00 0.06 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 2dcq h TRP 115 Cb 0.00 0.46 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 2dcq h TRP 115 CO 0.00 -0.38 -0.46 -0.07 -1.03 0.00 0.00 178.44 176.50 2dcq h LEU 116 N -0.23 -1.24 -1.57 0.65 3.38 -1.81 -2.64 115.31 111.86 2dcq h LEU 116 Ca 0.19 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2dcq h LEU 116 Cb 0.54 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2dcq h LEU 116 CO -0.57 -0.64 0.00 0.59 0.09 0.00 0.00 178.44 177.91 2dcq n ASN 117 N -5.26 1.73 -0.11 -0.43 3.02 -0.85 -2.40 115.26 110.96 2dcq n ASN 117 Ca -0.12 -1.62 0.03 0.00 -0.03 0.00 0.00 54.58 52.85 2dcq n ASN 117 Cb 0.43 -0.41 0.06 0.00 -0.61 0.00 0.00 39.78 39.26 2dcq n ASN 117 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2dcq n SER 118 N 0.38 2.25 -0.78 6.41 2.88 -0.40 -4.55 113.62 119.81 2dcq n SER 118 Ca 0.00 -2.33 -0.07 0.00 -1.33 0.00 0.00 58.87 55.14 2dcq n SER 118 Cb 0.32 -0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 63.61 2dcq n SER 118 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dcq n SER 119 N -0.66 -3.03 -4.92 -3.46 7.64 -1.01 -4.76 113.62 103.43 2dcq n SER 119 Ca 0.06 0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.71 2dcq n SER 119 Cb 0.39 -2.07 -0.03 0.00 -1.01 0.00 0.00 64.21 61.50 2dcq n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dcq s LEU 120 N -2.02 4.07 0.88 -3.43 1.43 -1.24 -5.08 118.68 113.29 2dcq s LEU 120 Ca 0.00 0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 53.59 2dcq s LEU 120 Cb 0.00 -3.42 0.13 0.00 0.03 0.00 0.00 46.19 42.93 2dcq s LEU 120 CO 0.00 -0.20 1.13 -2.16 0.23 0.00 0.00 176.35 175.35 2dcq s PRO 121 N -3.73 1.30 0.04 1.29 0.04 -1.26 -4.88 135.00 127.80 2dcq s PRO 121 Ca 0.42 1.42 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 2dcq s PRO 121 Cb -0.10 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2dcq s PRO 121 CO 0.32 -2.39 0.07 -0.46 0.04 0.00 0.00 177.00 174.58 2dcq s TRP 122 N -2.72 0.24 -0.08 0.56 -0.00 -1.26 -3.58 118.94 112.10 2dcq s TRP 122 Ca 0.65 -0.57 -0.04 0.00 -0.00 0.00 0.00 56.10 56.14 2dcq s TRP 122 Cb -0.21 -0.17 -0.01 0.00 -0.00 0.00 0.00 33.47 33.07 2dcq s TRP 122 CO 0.58 -0.36 -0.08 0.82 -0.00 0.00 0.00 176.95 177.91 2dcq h ILE 123 N 3.66 0.00 -0.23 5.86 2.04 -0.97 -3.40 117.51 124.46 2dcq h ILE 123 Ca -0.33 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2dcq h ILE 123 Cb 1.18 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2dcq h ILE 123 CO 0.52 0.00 -0.08 -1.84 0.00 0.00 0.00 178.15 176.74 2dcq n GLU 124 N -3.74 -0.23 -0.01 2.37 -0.00 -1.23 -4.91 120.64 112.90 2dcq n GLU 124 Ca -0.03 0.18 -0.00 0.00 -0.00 0.00 0.00 57.16 57.31 2dcq n GLU 124 Cb 0.12 -0.26 0.00 0.00 -0.00 0.00 0.00 31.44 31.31 2dcq n GLU 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2dcq n PRO 125 N -2.08 -1.00 -1.35 3.44 -0.04 -1.26 -4.72 135.00 127.98 2dcq n PRO 125 Ca -0.01 -0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 2dcq n PRO 125 Cb 0.04 -0.01 0.13 0.00 -0.04 0.00 0.00 33.50 33.63 2dcq n PRO 125 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2dcq s LYS 126 N -3.01 1.27 0.00 0.54 3.01 -1.26 -4.92 119.74 115.37 2dcq s LYS 126 Ca 0.00 0.60 0.00 0.00 -1.01 0.00 0.00 55.97 55.57 2dcq s LYS 126 Cb -0.00 -1.83 0.00 0.00 -1.01 0.00 0.00 37.83 34.99 2dcq s LYS 126 CO 0.00 -2.17 0.08 0.36 0.51 0.00 0.00 175.35 174.12 2dcq n LYS 127 N -3.80 0.11 -3.95 1.68 2.85 -1.26 -4.23 118.16 109.55 2dcq n LYS 127 Ca 0.06 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.02 2dcq n LYS 127 Cb 0.57 -1.04 -0.14 0.00 -0.65 0.00 0.00 35.03 33.77 2dcq n LYS 127 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2dcq s THR 128 N -1.36 2.59 0.31 0.58 -1.32 -1.26 -5.07 115.64 110.11 2dcq s THR 128 Ca 0.00 -3.10 0.07 0.00 -1.21 0.00 0.00 61.69 57.46 2dcq s THR 128 Cb 0.00 -2.81 -0.03 0.00 -1.51 0.00 0.00 72.50 68.15 2dcq s THR 128 CO 0.00 -0.76 0.26 -1.20 -2.21 0.00 0.00 174.62 170.71 2dcq n SER 129 N 3.37 -0.63 0.00 8.08 7.64 -1.26 -5.07 113.62 125.75 2dcq n SER 129 Ca 0.05 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.91 2dcq n SER 129 Cb 0.34 1.54 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 2dcq n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dcq n GLY 130 N -0.58 -1.80 3.64 0.23 0.00 -1.26 -5.06 105.19 100.35 2dcq n GLY 130 Ca 0.07 0.75 -0.43 0.00 0.00 0.00 0.00 46.02 46.42 2dcq n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dcq s PRO 131 N 0.00 3.88 -1.82 1.61 0.04 -1.26 -1.94 135.00 135.50 2dcq s PRO 131 Ca 0.00 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2dcq s PRO 131 Cb 0.00 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2dcq s PRO 131 CO 0.00 -1.22 0.00 0.45 0.04 0.00 0.00 177.00 176.27 2dcq n SER 132 N 8.38 -5.92 -0.30 6.66 2.88 -1.26 -4.90 113.62 119.16 2dcq n SER 132 Ca 0.20 0.02 0.20 0.00 -1.33 0.00 0.00 58.87 57.96 2dcq n SER 132 Cb 0.44 -4.95 0.48 0.00 -0.75 0.00 0.00 64.21 59.43 2dcq n SER 132 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dcq h SER 133 N 0.00 0.48 0.00 -3.46 0.02 -1.81 -3.57 113.55 105.21 2dcq h SER 133 Ca -0.49 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2dcq h SER 133 Cb 1.37 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2dcq h SER 133 CO 0.59 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 177.04