#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 1.41 0.00 1.61 0.01 -1.26 -5.09 113.70 110.38 2dcq s SER 2 Ca 0.00 1.08 -0.09 0.00 1.31 0.00 0.00 55.95 58.25 2dcq s SER 2 Cb 0.00 -1.66 0.01 0.00 0.21 0.00 0.00 66.02 64.58 2dcq s SER 2 CO 0.00 -3.88 0.18 -0.55 0.41 0.00 0.00 173.24 169.40 2dcq s SER 3 N -3.30 -0.02 0.00 2.44 0.15 -1.26 -5.12 113.70 106.59 2dcq s SER 3 Ca 0.68 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2dcq s SER 3 Cb -0.18 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2dcq s SER 3 CO 0.59 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2dcq n GLY 4 N 1.32 -0.02 0.20 9.45 0.00 -1.26 -4.98 105.19 109.90 2dcq n GLY 4 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.82 2dcq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dcq n SER 5 N -0.27 2.30 -4.94 1.61 7.64 -1.26 -5.07 113.62 113.62 2dcq n SER 5 Ca 0.00 -2.06 -0.24 0.00 1.01 0.00 0.00 58.87 57.58 2dcq n SER 5 Cb 0.00 -0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 2dcq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dcq s SER 6 N -1.08 4.78 -0.05 6.43 0.01 -1.26 -4.23 113.70 118.29 2dcq s SER 6 Ca 0.08 -1.11 -0.29 0.00 1.31 0.00 0.00 55.95 55.94 2dcq s SER 6 Cb 0.05 0.37 0.10 0.00 0.21 0.00 0.00 66.02 66.74 2dcq s SER 6 CO 0.05 -1.17 1.32 0.61 0.41 0.00 0.00 173.24 174.45 2dcq n GLY 7 N -1.91 0.16 3.50 3.44 0.00 -1.21 -5.01 105.19 104.15 2dcq n GLY 7 Ca 0.04 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2dcq n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dcq n SER 8 N -1.05 -1.20 0.04 1.61 7.64 -1.26 -1.42 113.62 117.98 2dcq n SER 8 Ca 0.05 0.12 -0.11 0.00 1.01 0.00 0.00 58.87 59.94 2dcq n SER 8 Cb 0.58 -1.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.44 2dcq n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dcq h ALA 9 N -2.16 -0.04 0.00 -0.43 0.00 -1.75 0.57 119.26 115.46 2dcq h ALA 9 Ca -0.51 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2dcq h ALA 9 Cb 1.31 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2dcq h ALA 9 CO 0.42 -0.55 -0.06 0.87 0.00 0.00 0.00 179.25 179.94 2dcq h LYS 10 N -0.09 0.00 0.00 0.00 1.57 -1.88 -2.14 116.57 114.03 2dcq h LYS 10 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dcq h LYS 10 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2dcq h LYS 10 CO -0.08 0.06 0.00 -1.71 -0.57 0.00 0.00 179.45 177.15 2dcq n ASN 11 N -3.60 0.00 -0.09 0.86 4.05 0.19 -1.54 115.26 115.12 2dcq n ASN 11 Ca -0.02 -0.16 -0.15 0.00 0.45 0.00 0.00 54.58 54.70 2dcq n ASN 11 Cb 0.17 -0.18 -0.05 0.00 1.23 0.00 0.00 39.78 40.95 2dcq n ASN 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2dcq n ALA 12 N -1.18 1.37 -0.28 5.20 0.00 -0.82 -4.73 120.51 120.07 2dcq n ALA 12 Ca 0.10 -0.78 0.06 0.00 0.00 0.00 0.00 53.44 52.82 2dcq n ALA 12 Cb 0.11 0.13 0.21 0.00 0.00 0.00 0.00 19.45 19.89 2dcq n ALA 12 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2dcq h TYR 13 N -0.82 0.72 -0.36 0.00 3.20 -1.45 -2.55 116.97 115.71 2dcq h TYR 13 Ca -0.25 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.73 2dcq h TYR 13 Cb 1.12 -0.20 -0.09 0.00 1.54 0.00 0.00 36.73 39.11 2dcq h TYR 13 CO -0.23 0.18 -0.27 1.15 -1.64 0.00 0.00 178.16 177.34 2dcq h THR 14 N 0.60 0.31 -0.52 1.81 2.02 -1.57 -2.28 112.91 113.28 2dcq h THR 14 Ca 0.44 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.72 2dcq h THR 14 Cb 0.61 0.31 -0.08 0.00 -1.74 0.00 0.00 68.15 67.26 2dcq h THR 14 CO -0.35 0.00 0.09 0.11 0.37 0.00 0.00 175.52 175.73 2dcq h LYS 15 N -0.22 0.21 -1.11 6.66 1.79 -1.71 -1.88 116.57 120.31 2dcq h LYS 15 Ca 0.17 -0.01 0.32 0.00 -2.18 0.00 0.00 60.65 58.95 2dcq h LYS 15 Cb 0.50 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.05 2dcq h LYS 15 CO -0.49 0.14 0.79 -0.07 -1.08 0.00 0.00 179.45 178.75 2dcq h LEU 16 N 0.22 0.06 -2.54 2.94 4.07 -1.43 -0.28 115.31 118.35 2dcq h LEU 16 Ca 0.27 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.24 2dcq h LEU 16 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2dcq h LEU 16 CO -0.36 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.62 2dcq n GLY 17 N -1.72 2.11 0.00 0.83 0.00 -0.71 -4.34 105.19 101.37 2dcq n GLY 17 Ca 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 1.48 0.06 -3.59 2.61 5.66 -0.23 -4.93 114.28 115.34 2dcq n THR 18 Ca 0.21 -0.15 -0.29 0.00 -3.05 0.00 0.00 64.05 60.77 2dcq n THR 18 Cb 0.60 1.54 -0.13 0.00 -1.55 0.00 0.00 70.33 70.78 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 -0.06 3.44 0.53 1.09 1.01 -0.50 -5.00 116.67 117.17 2dcq s ASP 19 Ca 0.00 -2.08 0.32 0.00 0.71 0.00 0.00 52.55 51.50 2dcq s ASP 19 Cb 0.00 -0.66 1.77 0.00 1.01 0.00 0.00 42.92 45.04 2dcq s ASP 19 CO 0.00 -0.34 1.99 0.44 0.21 0.00 0.00 175.17 177.47 2dcq h ASP 20 N 7.33 0.00 1.53 0.27 5.19 -1.86 0.15 116.42 129.03 2dcq h ASP 20 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2dcq h ASP 20 Cb 0.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2dcq h ASP 20 CO 0.39 0.00 0.00 0.78 -3.12 0.00 0.00 179.24 177.29 2dcq h ASN 21 N 0.00 0.00 -4.30 6.45 2.35 -1.92 -3.48 115.58 114.67 2dcq h ASN 21 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 2dcq h ASN 21 Cb 0.16 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.61 2dcq h ASN 21 CO 0.00 0.00 0.38 0.00 -1.65 0.00 0.00 177.43 176.16 2dcq s ALA 22 N -3.20 2.82 0.28 -0.83 0.00 0.04 -2.59 121.76 118.29 2dcq s ALA 22 Ca 0.08 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 2dcq s ALA 22 Cb 0.09 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2dcq s ALA 22 CO 0.59 -0.93 0.42 -0.65 0.00 0.00 0.00 175.76 175.19 2dcq s GLN 23 N -4.81 1.65 -0.06 0.00 -1.52 -0.30 -4.87 119.66 109.76 2dcq s GLN 23 Ca 0.58 -1.54 0.02 0.00 -1.95 0.00 0.00 55.36 52.46 2dcq s GLN 23 Cb -0.13 0.42 0.02 0.00 -0.22 0.00 0.00 33.01 33.10 2dcq s GLN 23 CO 0.49 -0.67 -0.08 -1.17 -0.25 0.00 0.00 175.29 173.62 2dcq s LEU 24 N -3.14 1.47 -0.40 2.90 1.98 -1.26 -1.75 118.68 118.47 2dcq s LEU 24 Ca 0.29 -0.21 0.00 0.00 -2.89 0.00 0.00 54.13 51.32 2dcq s LEU 24 Cb 0.01 -0.63 0.11 0.00 0.66 0.00 0.00 46.19 46.34 2dcq s LEU 24 CO 0.15 -0.02 0.16 -0.22 -1.89 0.00 0.00 176.35 174.53 2dcq s LEU 25 N 0.83 4.99 -0.68 -0.68 1.98 -1.12 -1.79 118.68 122.21 2dcq s LEU 25 Ca -0.12 -2.21 -0.27 0.00 -2.89 0.00 0.00 54.13 48.64 2dcq s LEU 25 Cb -0.15 -1.74 0.01 0.00 0.66 0.00 0.00 46.19 44.97 2dcq s LEU 25 CO 0.02 -0.44 1.55 1.51 -1.89 0.00 0.00 176.35 177.10 2dcq s ASP 26 N 1.23 5.74 -0.03 3.68 -4.77 -0.80 -1.33 116.67 120.40 2dcq s ASP 26 Ca 0.11 -0.07 0.08 0.00 -3.30 0.00 0.00 52.55 49.36 2dcq s ASP 26 Cb -0.21 -2.55 0.26 0.00 -1.09 0.00 0.00 42.92 39.33 2dcq s ASP 26 CO -0.05 -2.09 1.14 2.30 0.70 0.00 0.00 175.17 177.16 2dcq n ILE 27 N 6.78 0.56 -1.55 2.11 -5.35 -0.88 -1.34 119.36 119.69 2dcq n ILE 27 Ca 0.11 -0.41 -0.31 0.00 -0.27 0.00 0.00 62.75 61.87 2dcq n ILE 27 Cb 0.50 0.01 0.06 0.00 -1.74 0.00 0.00 39.64 38.48 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 -1.64 2.79 0.78 6.28 0.52 -1.25 -3.34 118.95 123.09 2dcq s ARG 28 Ca 0.19 0.93 -0.12 0.00 -0.52 0.00 0.00 55.73 56.21 2dcq s ARG 28 Cb 0.11 -1.97 0.07 0.00 0.52 0.00 0.00 34.95 33.68 2dcq s ARG 28 CO 0.11 -1.20 1.13 0.00 0.02 0.00 0.00 175.30 175.36 2dcq s ALA 29 N -3.05 2.06 0.45 2.13 0.00 -1.26 -4.11 121.76 117.98 2dcq s ALA 29 Ca 0.59 0.52 0.13 0.00 0.00 0.00 0.00 51.96 53.19 2dcq s ALA 29 Cb -0.14 -3.36 1.02 0.00 0.00 0.00 0.00 23.12 20.63 2dcq s ALA 29 CO 0.55 -1.96 2.03 1.15 0.00 0.00 0.00 175.76 177.53 2dcq h THR 30 N -0.97 1.10 -0.32 0.00 2.02 -1.99 -1.51 112.91 111.25 2dcq h THR 30 Ca -0.45 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 2dcq h THR 30 Cb 1.26 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2dcq h THR 30 CO 0.49 0.13 -0.05 0.00 0.37 0.00 0.00 175.52 176.46 2dcq h ALA 31 N 1.83 1.33 -0.79 6.16 0.00 -2.01 -3.09 119.26 122.70 2dcq h ALA 31 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2dcq h ALA 31 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2dcq h ALA 31 CO 0.01 0.45 0.52 0.22 0.00 0.00 0.00 179.25 180.45 2dcq h ASP 32 N 0.48 0.88 0.22 0.00 1.82 -1.62 -0.31 116.42 117.89 2dcq h ASP 32 Ca 0.10 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2dcq h ASP 32 Cb 0.39 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2dcq h ASP 32 CO 0.02 0.63 0.00 0.49 -1.61 0.00 0.00 179.24 178.77 2dcq n PHE 33 N -4.56 0.00 -0.07 0.28 3.72 -1.17 -0.21 117.46 115.47 2dcq n PHE 33 Ca 0.08 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.26 2dcq n PHE 33 Cb 0.04 -0.19 -0.12 0.00 -0.94 0.00 0.00 39.48 38.26 2dcq n PHE 33 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2dcq n ARG 34 N -1.19 0.65 -0.05 -1.08 5.12 -0.19 -3.79 116.66 116.13 2dcq n ARG 34 Ca 0.10 0.38 -0.02 0.00 -1.93 0.00 0.00 57.85 56.38 2dcq n ARG 34 Cb 0.11 -1.68 -0.15 0.00 -1.16 0.00 0.00 32.46 29.58 2dcq n ARG 34 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dcq n GLN 35 N -3.94 0.67 -0.07 5.56 10.64 -0.80 -4.53 117.38 124.92 2dcq n GLN 35 Ca -0.36 -0.02 -0.09 0.00 -1.83 0.00 0.00 57.00 54.70 2dcq n GLN 35 Cb 0.87 -1.57 -0.08 0.00 -0.86 0.00 0.00 30.24 28.60 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 -2.63 0.84 -0.32 -0.39 0.31 0.71 -4.95 118.33 111.91 2dcq n VAL 36 Ca -0.20 -0.40 0.04 0.00 -0.01 0.00 0.00 64.34 63.78 2dcq n VAL 36 Cb 0.92 -0.89 -0.01 0.00 -0.91 0.00 0.00 33.84 32.95 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 2.58 -1.52 3.70 2.92 0.00 -0.90 -4.31 105.19 107.64 2dcq n GLY 37 Ca -0.24 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 2dcq n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dcq s SER 38 N -3.54 4.69 0.43 1.61 0.01 -1.26 -4.58 113.70 111.06 2dcq s SER 38 Ca 0.00 -0.66 -0.25 0.00 1.31 0.00 0.00 55.95 56.35 2dcq s SER 38 Cb 0.00 -0.85 -0.08 0.00 0.21 0.00 0.00 66.02 65.30 2dcq s SER 38 CO 0.00 -0.13 1.26 -2.16 0.41 0.00 0.00 173.24 172.62 2dcq s PRO 39 N -3.76 3.85 -0.86 12.44 0.04 -1.26 -0.11 135.00 145.33 2dcq s PRO 39 Ca 0.34 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.26 2dcq s PRO 39 Cb -0.05 -2.62 0.19 0.00 0.04 0.00 0.00 34.50 32.06 2dcq s PRO 39 CO 0.21 -0.55 0.90 1.21 0.04 0.00 0.00 177.00 178.81 2dcq s ASN 40 N -0.95 6.71 0.00 6.66 2.47 -1.01 -4.42 114.94 124.41 2dcq s ASN 40 Ca 0.60 -2.45 0.22 0.00 0.42 0.00 0.00 52.86 51.65 2dcq s ASN 40 Cb -0.35 -2.28 0.52 0.00 -1.45 0.00 0.00 41.25 37.69 2dcq s ASN 40 CO 0.44 -0.75 1.45 2.30 -3.72 0.00 0.00 177.10 176.82 2dcq n ILE 41 N 4.53 0.78 0.27 -5.21 -5.35 -1.26 -4.57 119.36 108.55 2dcq n ILE 41 Ca 0.17 -0.89 0.15 0.00 -0.27 0.00 0.00 62.75 61.91 2dcq n ILE 41 Cb 0.48 0.71 0.70 0.00 -1.74 0.00 0.00 39.64 39.79 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 4.16 0.00 -0.15 6.28 3.11 -1.81 0.29 116.57 128.45 2dcq h LYS 42 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 2dcq h LYS 42 Cb 0.96 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.18 2dcq h LYS 42 CO 0.00 0.08 -0.26 0.78 -2.81 0.00 0.00 179.45 177.25 2dcq h GLY 43 N 1.56 0.29 -1.11 5.01 0.00 -1.85 -1.28 103.07 105.69 2dcq h GLY 43 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2dcq h GLY 43 CO 0.01 0.20 0.00 1.04 0.00 0.00 0.00 176.54 177.79 2dcq n LEU 44 N -4.15 1.12 0.00 3.11 4.77 0.08 -4.85 117.00 117.08 2dcq n LEU 44 Ca -0.01 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2dcq n LEU 44 Cb 0.37 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2dcq n LEU 44 CO 0.40 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2dcq n GLY 45 N 0.10 1.82 3.60 -0.72 0.00 -0.49 -4.90 105.19 104.61 2dcq n GLY 45 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.77 0.80 0.65 1.61 0.00 -1.22 -4.99 119.74 115.82 2dcq s LYS 46 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 55.97 55.48 2dcq s LYS 46 Cb 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 37.83 38.14 2dcq s LYS 46 CO 0.00 -0.36 1.05 0.21 0.00 0.00 0.00 175.35 176.25 2dcq s LYS 47 N -2.98 3.18 0.52 1.78 2.47 -1.26 -2.68 119.74 120.76 2dcq s LYS 47 Ca 0.09 0.99 -0.19 0.00 -1.56 0.00 0.00 55.97 55.30 2dcq s LYS 47 Cb -0.00 -2.02 -0.07 0.00 -1.46 0.00 0.00 37.83 34.27 2dcq s LYS 47 CO -0.05 -0.90 1.04 0.00 0.16 0.00 0.00 175.35 175.60 2dcq s ALA 48 N -2.89 2.85 -0.34 3.13 0.00 -1.26 -4.79 121.76 118.45 2dcq s ALA 48 Ca 0.59 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2dcq s ALA 48 Cb -0.14 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2dcq s ALA 48 CO 0.49 -0.44 0.19 0.08 0.00 0.00 0.00 175.76 176.07 2dcq s VAL 49 N -2.15 4.72 0.01 0.00 1.01 -0.74 -4.95 120.40 118.31 2dcq s VAL 49 Ca 0.66 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2dcq s VAL 49 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2dcq s VAL 49 CO 0.25 -0.06 1.16 -0.94 0.00 0.00 0.00 175.10 175.51 2dcq s SER 50 N 1.61 7.12 -0.28 3.32 1.04 -1.26 -1.90 113.70 123.36 2dcq s SER 50 Ca 0.04 1.87 -0.01 0.00 0.48 0.00 0.00 55.95 58.33 2dcq s SER 50 Cb -0.18 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.54 2dcq s SER 50 CO 0.07 -0.47 0.51 -0.89 0.98 0.00 0.00 173.24 173.44 2dcq s THR 51 N 1.46 -0.83 0.14 2.02 2.01 -0.45 -4.96 115.64 115.03 2dcq s THR 51 Ca 0.56 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 2dcq s THR 51 Cb -0.26 -0.93 -0.10 0.00 0.01 0.00 0.00 72.50 71.22 2dcq s THR 51 CO 0.26 -0.06 1.62 -0.69 -0.69 0.00 0.00 174.62 175.06 2dcq s VAL 52 N 2.73 2.65 0.14 3.82 1.01 -1.26 -4.11 120.40 125.38 2dcq s VAL 52 Ca 0.17 0.38 -0.26 0.00 0.00 0.00 0.00 61.98 62.27 2dcq s VAL 52 Cb -0.15 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 2dcq s VAL 52 CO -0.20 0.02 0.80 -0.47 0.00 0.00 0.00 175.10 175.25 2dcq s TYR 53 N 1.62 3.87 -0.00 5.22 5.04 -1.21 -4.98 117.35 126.90 2dcq s TYR 53 Ca 0.72 1.63 -0.00 0.00 -2.44 0.00 0.00 57.07 56.98 2dcq s TYR 53 Cb -0.44 -2.82 -0.00 0.00 0.35 0.00 0.00 41.96 39.06 2dcq s TYR 53 CO 0.32 0.43 -0.01 0.09 -1.34 0.00 0.00 175.55 175.04 2dcq n ASN 54 N 1.97 0.04 0.00 4.32 4.13 -1.26 -5.05 115.26 119.42 2dcq n ASN 54 Ca -0.04 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.23 2dcq n ASN 54 Cb 0.49 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 2dcq n ASN 54 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dcq n GLY 55 N 2.41 1.43 0.00 7.41 0.00 -1.26 -5.02 105.19 110.16 2dcq n GLY 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dcq n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dcq n GLU 56 N -0.02 0.00 -2.83 1.61 4.07 -1.26 -4.34 120.64 117.87 2dcq n GLU 56 Ca 0.00 0.25 -0.43 0.00 -0.06 0.00 0.00 57.16 56.92 2dcq n GLU 56 Cb 0.00 -1.23 -0.01 0.00 -0.06 0.00 0.00 31.44 30.14 2dcq n GLU 56 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2dcq s ASP 57 N -2.05 6.81 0.12 4.31 -4.77 -1.26 -4.91 116.67 114.92 2dcq s ASP 57 Ca 0.00 -2.38 -0.34 0.00 -3.30 0.00 0.00 52.55 46.53 2dcq s ASP 57 Cb 0.00 -2.45 -0.13 0.00 -1.09 0.00 0.00 42.92 39.25 2dcq s ASP 57 CO 0.00 -1.02 1.56 0.11 0.70 0.00 0.00 175.17 176.52 2dcq h LYS 58 N 8.14 -0.60 -0.45 2.11 1.79 -2.02 -1.76 116.57 123.79 2dcq h LYS 58 Ca 0.27 0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.72 2dcq h LYS 58 Cb 0.94 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 2dcq h LYS 58 CO 1.26 -0.40 0.04 -1.00 -1.08 0.00 0.00 179.45 178.27 2dcq h PRO 59 N -0.62 0.71 -1.18 3.15 0.13 -1.98 -3.03 132.00 129.18 2dcq h PRO 59 Ca 0.03 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2dcq h PRO 59 Cb 0.70 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2dcq h PRO 59 CO -0.40 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 2dcq n GLY 60 N -0.79 0.97 1.99 1.56 0.00 -0.69 -2.22 105.19 106.01 2dcq n GLY 60 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.58 -1.17 0.23 1.61 7.35 -1.07 -4.81 117.46 120.19 2dcq n PHE 61 Ca 0.00 0.21 0.16 0.00 -0.76 0.00 0.00 57.45 57.06 2dcq n PHE 61 Cb 0.22 0.54 0.71 0.00 0.35 0.00 0.00 39.48 41.30 2dcq n PHE 61 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dcq h LEU 62 N 0.00 0.00 -2.30 -2.13 3.38 -1.43 -1.65 115.31 111.18 2dcq h LEU 62 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2dcq h LEU 62 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2dcq h LEU 62 CO 0.00 0.00 0.13 0.07 0.09 0.00 0.00 178.44 178.73 2dcq h LYS 63 N 0.00 0.00 0.00 1.13 5.09 -1.75 -0.53 116.57 120.51 2dcq h LYS 63 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.83 2dcq h LYS 63 Cb 1.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.36 2dcq h LYS 63 CO -0.00 0.00 0.00 0.87 -2.09 0.00 0.00 179.45 178.23 2dcq h LYS 64 N 0.00 0.00 0.04 0.07 1.57 -1.63 -3.30 116.57 113.32 2dcq h LYS 64 Ca 0.06 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.57 2dcq h LYS 64 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2dcq h LYS 64 CO -0.00 0.00 -1.41 -0.07 -0.57 0.00 0.00 179.45 177.40 2dcq h LEU 65 N 0.00 0.12 0.00 2.94 4.07 -1.30 -3.38 115.31 117.77 2dcq h LEU 65 Ca 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.78 2dcq h LEU 65 Cb 0.83 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.53 2dcq h LEU 65 CO 0.00 1.15 0.00 -1.20 -1.08 0.00 0.00 178.44 177.31 2dcq n SER 66 N -3.28 0.00 -0.02 -0.43 7.64 -1.18 -0.89 113.62 115.46 2dcq n SER 66 Ca -0.11 0.31 0.01 0.00 1.01 0.00 0.00 58.87 60.09 2dcq n SER 66 Cb 1.01 -0.37 0.01 0.00 -1.01 0.00 0.00 64.21 63.86 2dcq n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dcq n LEU 67 N -1.37 1.47 -0.05 -3.43 -0.00 -1.26 -4.82 117.00 107.54 2dcq n LEU 67 Ca 0.02 -1.56 -0.03 0.00 -0.00 0.00 0.00 56.01 54.44 2dcq n LEU 67 Cb 0.05 -0.04 -0.11 0.00 -0.00 0.00 0.00 43.42 43.33 2dcq n LEU 67 CO 0.05 0.39 -0.87 0.29 -0.00 0.00 0.00 177.39 177.25 2dcq n LYS 68 N -0.44 1.37 -4.40 1.47 4.01 -0.06 -5.03 118.16 115.08 2dcq n LYS 68 Ca 0.01 -0.04 -0.21 0.00 -0.51 0.00 0.00 58.31 57.56 2dcq n LYS 68 Cb 0.36 -1.35 -0.16 0.00 -0.51 0.00 0.00 35.03 33.37 2dcq n LYS 68 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2dcq s PHE 69 N -2.54 0.99 -0.05 2.13 0.08 -1.24 -5.04 117.98 112.31 2dcq s PHE 69 Ca -0.06 -0.26 0.12 0.00 0.12 0.00 0.00 56.93 56.85 2dcq s PHE 69 Cb 0.06 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.75 2dcq s PHE 69 CO 0.58 -0.12 1.38 -0.22 -0.10 0.00 0.00 175.22 176.74 2dcq h LYS 70 N 6.48 0.00 -1.95 0.44 3.11 -1.95 -3.40 116.57 119.30 2dcq h LYS 70 Ca -0.33 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.02 2dcq h LYS 70 Cb 1.17 0.00 -0.39 0.00 -1.00 0.00 0.00 32.23 32.01 2dcq h LYS 70 CO 0.48 0.70 -1.17 -3.47 -2.81 0.00 0.00 179.45 173.18 2dcq n ASP 71 N -3.28 0.65 -0.01 4.20 2.03 -1.26 -4.97 116.55 113.92 2dcq n ASP 71 Ca 0.01 -2.98 -0.04 0.00 0.52 0.00 0.00 54.79 52.30 2dcq n ASP 71 Cb 0.81 -0.55 0.19 0.00 -0.72 0.00 0.00 41.12 40.85 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 3.14 0.55 0.00 -0.67 0.13 -1.84 -0.17 132.00 133.14 2dcq h PRO 72 Ca 0.09 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2dcq h PRO 72 Cb 0.96 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2dcq h PRO 72 CO 0.49 0.72 0.00 -0.85 -0.23 0.00 0.00 178.00 178.13 2dcq n GLU 73 N -4.14 0.46 0.00 0.86 0.28 -1.19 -2.56 120.64 114.35 2dcq n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2dcq n GLU 73 Cb 0.38 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.79 2dcq n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dcq n ASN 74 N -0.96 0.44 -4.70 -1.84 3.02 -0.83 -4.29 115.26 106.10 2dcq n ASN 74 Ca 0.10 -0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 2dcq n ASN 74 Cb 0.05 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 2dcq n ASN 74 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dcq s THR 75 N -0.49 3.90 -0.42 3.41 2.01 -0.14 -4.91 115.64 119.01 2dcq s THR 75 Ca 0.00 1.31 -0.22 0.00 0.31 0.00 0.00 61.69 63.08 2dcq s THR 75 Cb 0.00 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.69 2dcq s THR 75 CO 0.00 0.04 0.75 -0.89 -0.69 0.00 0.00 174.62 173.82 2dcq s THR 76 N 1.86 4.72 0.14 -0.82 2.01 -1.07 -4.50 115.64 117.99 2dcq s THR 76 Ca 0.60 0.50 -0.14 0.00 0.31 0.00 0.00 61.69 62.96 2dcq s THR 76 Cb -0.30 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 67.89 2dcq s THR 76 CO 0.26 -0.59 0.55 -0.76 -0.69 0.00 0.00 174.62 173.38 2dcq s LEU 77 N 3.11 4.34 -0.38 4.42 1.43 -1.23 -1.15 118.68 129.22 2dcq s LEU 77 Ca 0.28 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 2dcq s LEU 77 Cb -0.13 -3.26 0.11 0.00 0.03 0.00 0.00 46.19 42.95 2dcq s LEU 77 CO 0.20 0.10 0.14 -0.31 0.23 0.00 0.00 176.35 176.72 2dcq s TYR 78 N -1.46 2.66 0.30 0.29 1.51 -0.72 -1.18 117.35 118.74 2dcq s TYR 78 Ca 0.38 -2.54 -0.29 0.00 -1.01 0.00 0.00 57.07 53.61 2dcq s TYR 78 Cb -0.15 -2.32 -0.10 0.00 -0.11 0.00 0.00 41.96 39.28 2dcq s TYR 78 CO 0.19 -0.85 1.22 0.42 -1.11 0.00 0.00 175.55 175.42 2dcq s ILE 79 N 0.78 3.08 -0.26 2.71 1.09 -0.39 -2.78 121.20 125.43 2dcq s ILE 79 Ca 0.13 1.06 -0.00 0.00 -1.10 0.00 0.00 60.65 60.74 2dcq s ILE 79 Cb -0.21 -3.68 0.08 0.00 -1.06 0.00 0.00 42.46 37.59 2dcq s ILE 79 CO -0.10 0.24 0.03 -0.22 -0.10 0.00 0.00 174.94 174.79 2dcq s LEU 80 N -1.47 2.31 0.67 2.97 0.20 -0.44 -3.18 118.68 119.74 2dcq s LEU 80 Ca 0.48 -1.32 -0.03 0.00 0.69 0.00 0.00 54.13 53.94 2dcq s LEU 80 Cb -0.36 -0.97 0.07 0.00 -0.43 0.00 0.00 46.19 44.50 2dcq s LEU 80 CO 0.47 -0.32 0.95 -0.62 -0.29 0.00 0.00 176.35 176.53 2dcq s ASP 81 N 1.54 4.78 0.10 3.68 2.15 -1.26 -2.07 116.67 125.59 2dcq s ASP 81 Ca 0.02 0.13 -0.34 0.00 0.43 0.00 0.00 52.55 52.79 2dcq s ASP 81 Cb -0.18 -0.77 -0.14 0.00 -0.30 0.00 0.00 42.92 41.53 2dcq s ASP 81 CO -0.13 -1.56 1.57 0.11 -0.17 0.00 0.00 175.17 174.99 2dcq h LYS 82 N -0.42 -0.79 0.00 4.34 1.57 -1.92 -2.22 116.57 117.13 2dcq h LYS 82 Ca -0.42 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2dcq h LYS 82 Cb 1.30 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.78 2dcq h LYS 82 CO 0.52 -0.52 0.00 0.34 -0.57 0.00 0.00 179.45 179.22 2dcq n PHE 83 N -5.51 0.00 0.09 -1.35 7.35 -1.26 -0.09 117.46 116.69 2dcq n PHE 83 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 2dcq n PHE 83 Cb 0.42 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.25 2dcq n PHE 83 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2dcq n ASP 84 N -0.89 -1.59 0.00 -2.13 2.03 -1.26 -3.12 116.55 109.59 2dcq n ASP 84 Ca 0.00 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.96 2dcq n ASP 84 Cb 0.00 1.78 0.00 0.00 -0.72 0.00 0.00 41.12 42.18 2dcq n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dcq n GLY 85 N -1.19 0.50 0.23 0.27 0.00 -1.26 -3.12 105.19 100.61 2dcq n GLY 85 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 5.18 0.00 -0.35 1.61 5.03 -1.26 -5.00 115.26 120.47 2dcq n ASN 86 Ca 0.00 -1.19 0.09 0.00 0.87 0.00 0.00 54.58 54.35 2dcq n ASN 86 Cb 0.00 -0.04 0.27 0.00 -1.02 0.00 0.00 39.78 38.99 2dcq n ASN 86 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2dcq h SER 87 N 0.00 0.83 -0.25 6.41 0.02 -1.91 -1.05 113.55 117.60 2dcq h SER 87 Ca 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2dcq h SER 87 Cb 1.08 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2dcq h SER 87 CO 0.00 0.38 0.12 -0.33 -1.14 0.00 0.00 176.83 175.86 2dcq h GLU 88 N 0.87 0.37 -0.70 3.45 5.08 -1.91 -0.55 114.58 121.19 2dcq h GLU 88 Ca 0.52 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.92 2dcq h GLU 88 Cb 0.66 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 2dcq h GLU 88 CO -0.32 0.38 0.33 1.25 -1.00 0.00 0.00 179.01 179.66 2dcq h LEU 89 N 0.27 0.41 -0.38 1.33 7.12 -1.60 -0.70 115.31 121.76 2dcq h LEU 89 Ca 0.09 0.07 -0.17 0.00 0.13 0.00 0.00 57.88 58.00 2dcq h LEU 89 Cb 0.14 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 2dcq h LEU 89 CO -0.01 0.23 -0.81 0.58 -0.13 0.00 0.00 178.44 178.30 2dcq h VAL 90 N 0.56 1.58 -0.71 1.05 2.07 -1.12 -2.63 116.25 117.05 2dcq h VAL 90 Ca 0.35 -2.77 0.03 0.00 0.82 0.00 0.00 66.70 65.12 2dcq h VAL 90 Cb 0.40 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 2dcq h VAL 90 CO -0.29 0.79 0.45 0.00 0.02 0.00 0.00 177.57 178.54 2dcq h ALA 91 N 1.19 0.92 -0.44 1.67 0.00 -0.19 -1.78 119.26 120.63 2dcq h ALA 91 Ca -0.01 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 2dcq h ALA 91 Cb 1.43 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2dcq h ALA 91 CO 0.10 0.24 0.33 -0.85 0.00 0.00 0.00 179.25 179.08 2dcq n GLU 92 N -4.65 1.63 0.08 0.00 0.28 -0.36 -3.86 120.64 113.76 2dcq n GLU 92 Ca 0.07 -1.37 0.00 0.00 -0.16 0.00 0.00 57.16 55.70 2dcq n GLU 92 Cb 0.07 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.40 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 0.43 -0.28 -1.84 7.94 -0.71 -4.77 117.00 117.84 2dcq n LEU 93 Ca 0.27 0.25 -0.03 0.00 -1.11 0.00 0.00 56.01 55.39 2dcq n LEU 93 Cb 0.82 0.01 0.09 0.00 0.53 0.00 0.00 43.42 44.87 2dcq n LEU 93 CO 0.30 -0.67 1.18 -0.37 -1.11 0.00 0.00 177.39 176.72 2dcq h VAL 94 N 0.00 1.13 0.00 1.96 -1.51 -1.60 -1.59 116.25 114.64 2dcq h VAL 94 Ca 0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2dcq h VAL 94 Cb 0.10 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.33 2dcq h VAL 94 CO 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 177.57 176.52 2dcq n ALA 95 N -2.33 1.35 -0.21 5.19 0.00 -1.25 -1.35 120.51 121.91 2dcq n ALA 95 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.59 2dcq n ALA 95 Cb 0.08 -1.20 0.10 0.00 0.00 0.00 0.00 19.45 18.43 2dcq n ALA 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dcq n LEU 96 N -1.74 2.61 -0.21 0.00 4.32 -0.62 -4.53 117.00 116.83 2dcq n LEU 96 Ca 0.01 -2.13 0.03 0.00 -0.02 0.00 0.00 56.01 53.91 2dcq n LEU 96 Cb 0.10 -0.18 0.04 0.00 -1.62 0.00 0.00 43.42 41.77 2dcq n LEU 96 CO 0.10 0.64 0.38 0.59 -1.22 0.00 0.00 177.39 177.88 2dcq n ASN 97 N -0.05 1.00 0.00 -1.43 3.02 -0.46 -4.99 115.26 112.36 2dcq n ASN 97 Ca 0.08 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 2dcq n ASN 97 Cb 0.40 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.51 1.25 4.00 7.41 0.00 -1.17 -5.03 105.19 111.14 2dcq n GLY 98 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 2.91 -0.06 1.61 0.40 -0.83 -3.14 117.98 116.87 2dcq s PHE 99 Ca 0.00 -0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2dcq s PHE 99 Cb 0.00 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.24 2dcq s PHE 99 CO 0.00 -0.32 -0.01 -0.22 0.70 0.00 0.00 175.22 175.37 2dcq h LYS 100 N 0.68 0.00 -4.24 0.44 1.63 -1.74 -3.40 116.57 109.94 2dcq h LYS 100 Ca -0.42 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.26 2dcq h LYS 100 Cb 1.27 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.75 2dcq h LYS 100 CO 0.48 0.00 -0.67 -1.12 -3.45 0.00 0.00 179.45 174.69 2dcq s SER 101 N -4.39 0.46 0.23 4.20 0.01 -1.26 -4.74 113.70 108.21 2dcq s SER 101 Ca -0.01 -1.00 -0.09 0.00 1.31 0.00 0.00 55.95 56.16 2dcq s SER 101 Cb 0.00 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.43 2dcq s SER 101 CO 0.01 -0.61 0.36 0.00 0.41 0.00 0.00 173.24 173.41 2dcq s ALA 102 N -3.93 0.16 0.10 1.44 0.00 -1.26 -3.49 121.76 114.78 2dcq s ALA 102 Ca 0.08 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 2dcq s ALA 102 Cb 0.08 1.14 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 2dcq s ALA 102 CO -0.09 -0.76 0.00 0.71 0.00 0.00 0.00 175.76 175.62 2dcq s TYR 103 N -4.05 0.77 -0.06 0.00 1.51 -0.33 -4.88 117.35 110.32 2dcq s TYR 103 Ca 0.26 -1.11 -0.03 0.00 -1.01 0.00 0.00 57.07 55.19 2dcq s TYR 103 Cb 0.02 -0.47 0.03 0.00 -0.11 0.00 0.00 41.96 41.43 2dcq s TYR 103 CO 0.09 -0.39 0.13 0.00 -1.11 0.00 0.00 175.55 174.27 2dcq s ALA 104 N -3.90 -0.22 -0.08 3.71 0.00 -1.26 -1.26 121.76 118.76 2dcq s ALA 104 Ca 0.16 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.52 2dcq s ALA 104 Cb 0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 2dcq s ALA 104 CO -0.03 -0.14 0.51 -1.50 0.00 0.00 0.00 175.76 174.60 2dcq s ILE 105 N 1.04 5.10 0.54 0.00 2.07 -1.19 -3.36 121.20 125.41 2dcq s ILE 105 Ca -0.08 1.03 -0.18 0.00 -1.41 0.00 0.00 60.65 60.01 2dcq s ILE 105 Cb -0.11 -3.84 -0.06 0.00 0.13 0.00 0.00 42.46 38.58 2dcq s ILE 105 CO -0.05 0.37 1.07 -0.75 -1.91 0.00 0.00 174.94 173.67 2dcq s LYS 106 N 0.25 3.49 0.00 3.50 2.47 -0.51 -3.37 119.74 125.57 2dcq s LYS 106 Ca 0.27 1.35 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 2dcq s LYS 106 Cb -0.16 -2.05 0.00 0.00 -1.46 0.00 0.00 37.83 34.16 2dcq s LYS 106 CO 0.13 -0.69 0.00 -0.25 0.16 0.00 0.00 175.35 174.70 2dcq n ASP 107 N -1.49 -4.55 0.00 1.43 8.00 -1.24 -4.28 116.55 114.42 2dcq n ASP 107 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2dcq n ASP 107 Cb 0.52 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.43 2dcq n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dcq n GLY 108 N 0.22 1.96 0.01 0.44 0.00 -1.18 -1.04 105.19 105.60 2dcq n GLY 108 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 8.77 1.94 0.35 4.61 0.00 -0.17 -0.75 120.51 135.26 2dcq n ALA 109 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2dcq n ALA 109 Cb 0.00 0.37 0.08 0.00 0.00 0.00 0.00 19.45 19.90 2dcq n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dcq h GLU 110 N 0.00 0.00 -7.33 0.00 5.08 -0.54 -2.19 114.58 109.59 2dcq h GLU 110 Ca -0.07 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.82 2dcq h GLU 110 Cb 1.12 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.52 2dcq h GLU 110 CO -0.01 0.00 0.22 0.20 -1.00 0.00 0.00 179.01 178.42 2dcq s GLY 111 N -3.99 1.60 0.35 -3.84 0.00 -0.21 -4.86 107.32 96.37 2dcq s GLY 111 Ca 0.03 -0.15 0.26 0.00 0.00 0.00 0.00 44.72 44.86 2dcq s GLY 111 CO 0.76 0.38 1.79 -0.56 0.00 0.00 0.00 173.10 175.47 2dcq h PRO 112 N -1.71 0.00 0.00 2.90 0.13 -1.94 -0.81 132.00 130.57 2dcq h PRO 112 Ca -0.51 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2dcq h PRO 112 Cb 1.30 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 2dcq h PRO 112 CO 0.55 0.00 -0.57 0.54 -0.23 0.00 0.00 178.00 178.29 2dcq n ARG 113 N -2.43 0.28 -0.44 0.86 1.74 -1.26 -4.83 116.66 110.59 2dcq n ARG 113 Ca 0.00 -1.64 -0.12 0.00 -0.77 0.00 0.00 57.85 55.33 2dcq n ARG 113 Cb 0.17 -0.58 0.10 0.00 -1.02 0.00 0.00 32.46 31.13 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 -0.14 -2.54 0.41 -0.13 0.00 -0.31 -4.09 105.19 98.39 2dcq n GLY 114 Ca 0.05 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.99 -1.42 0.00 1.61 2.91 -0.96 -1.15 115.95 114.96 2dcq h TRP 115 Ca -0.17 0.09 0.03 0.00 1.13 0.00 0.00 58.89 59.97 2dcq h TRP 115 Cb 0.51 0.71 -0.04 0.00 -0.51 0.00 0.00 29.16 29.83 2dcq h TRP 115 CO 0.00 -0.43 -0.24 -0.07 -1.03 0.00 0.00 178.44 176.68 2dcq h LEU 116 N -0.22 -0.70 -0.44 0.65 3.38 -1.69 -1.89 115.31 114.41 2dcq h LEU 116 Ca 0.17 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2dcq h LEU 116 Cb 0.55 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2dcq h LEU 116 CO -0.72 -0.31 0.00 0.59 0.09 0.00 0.00 178.44 178.09 2dcq n ASN 117 N -5.36 0.30 -0.13 -0.43 4.13 -0.55 -2.72 115.26 110.49 2dcq n ASN 117 Ca -0.05 -1.35 0.08 0.00 1.68 0.00 0.00 54.58 54.94 2dcq n ASN 117 Cb 0.27 -0.15 0.11 0.00 -1.54 0.00 0.00 39.78 38.47 2dcq n ASN 117 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2dcq n SER 118 N -0.21 1.94 -2.02 6.41 2.88 -0.55 -4.62 113.62 117.45 2dcq n SER 118 Ca 0.00 -2.84 -0.17 0.00 -1.33 0.00 0.00 58.87 54.53 2dcq n SER 118 Cb 0.07 -0.37 -0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2dcq n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dcq n SER 119 N -1.15 -5.06 -4.95 -3.46 2.88 -1.10 -4.81 113.62 95.96 2dcq n SER 119 Ca 0.12 -0.05 -0.23 0.00 -1.33 0.00 0.00 58.87 57.38 2dcq n SER 119 Cb 0.63 -4.12 -0.00 0.00 -0.75 0.00 0.00 64.21 59.96 2dcq n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2dcq s LEU 120 N -5.00 3.85 0.52 2.46 1.43 -1.23 -5.08 118.68 115.62 2dcq s LEU 120 Ca 0.03 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 2dcq s LEU 120 Cb -0.02 -3.25 -0.07 0.00 0.03 0.00 0.00 46.19 42.88 2dcq s LEU 120 CO 0.04 -0.48 1.08 -2.16 0.23 0.00 0.00 176.35 175.07 2dcq s PRO 121 N -4.43 3.57 0.05 1.29 0.04 -1.26 -4.89 135.00 129.37 2dcq s PRO 121 Ca 0.44 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.97 2dcq s PRO 121 Cb -0.10 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 2dcq s PRO 121 CO 0.37 -0.65 -0.07 -0.46 0.04 0.00 0.00 177.00 176.24 2dcq s TRP 122 N -1.90 0.66 -0.14 0.56 -0.11 -1.26 -2.40 118.94 114.34 2dcq s TRP 122 Ca 0.70 -0.63 -0.10 0.00 1.22 0.00 0.00 56.10 57.29 2dcq s TRP 122 Cb -0.20 -0.40 -0.06 0.00 -1.50 0.00 0.00 33.47 31.31 2dcq s TRP 122 CO 0.24 -0.13 -0.03 0.82 -4.62 0.00 0.00 176.95 173.24 2dcq h ILE 123 N 4.11 0.23 -0.30 5.86 2.04 -0.73 -3.38 117.51 125.34 2dcq h ILE 123 Ca -0.35 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.29 2dcq h ILE 123 Cb 1.19 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2dcq h ILE 123 CO 0.47 0.08 -0.10 -1.84 0.00 0.00 0.00 178.15 176.76 2dcq n GLU 124 N -4.63 -0.30 0.00 2.37 0.28 -1.21 -4.93 120.64 112.22 2dcq n GLU 124 Ca -0.09 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2dcq n GLU 124 Cb 0.27 -0.33 0.00 0.00 1.43 0.00 0.00 31.44 32.81 2dcq n GLU 124 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2dcq n PRO 125 N -2.08 0.00 -4.16 3.44 -0.04 -1.26 -4.65 135.00 126.26 2dcq n PRO 125 Ca -0.01 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 2dcq n PRO 125 Cb 0.05 -0.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.86 0.91 -0.00 0.54 3.01 -1.26 -5.04 119.74 117.04 2dcq s LYS 126 Ca 0.00 -1.42 0.00 0.00 -1.01 0.00 0.00 55.97 53.54 2dcq s LYS 126 Cb 0.00 0.13 0.01 0.00 -1.01 0.00 0.00 37.83 36.96 2dcq s LYS 126 CO 0.00 -0.21 0.57 0.36 0.51 0.00 0.00 175.35 176.58 2dcq n LYS 127 N -0.09 1.03 -1.74 1.68 2.85 -1.26 -4.88 118.16 115.74 2dcq n LYS 127 Ca -0.07 -0.03 -0.42 0.00 -1.05 0.00 0.00 58.31 56.75 2dcq n LYS 127 Cb 0.63 -1.45 -0.02 0.00 -0.65 0.00 0.00 35.03 33.54 2dcq n LYS 127 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2dcq s THR 128 N -0.90 2.03 -0.40 0.58 2.01 -1.26 -4.93 115.64 112.77 2dcq s THR 128 Ca 0.00 0.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 2dcq s THR 128 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2dcq s THR 128 CO 0.00 0.00 2.07 -0.94 -0.69 0.00 0.00 174.62 175.06 2dcq s SER 129 N 0.94 5.29 -0.41 3.53 1.04 -1.26 -4.90 113.70 117.92 2dcq s SER 129 Ca 0.71 1.19 0.06 0.00 0.48 0.00 0.00 55.95 58.38 2dcq s SER 129 Cb -0.49 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.31 2dcq s SER 129 CO 0.38 -2.21 0.43 0.61 0.98 0.00 0.00 173.24 173.43 2dcq n GLY 130 N 5.71 2.18 0.24 7.32 0.00 -1.26 -5.01 105.19 114.36 2dcq n GLY 130 Ca 0.27 -1.27 0.15 0.00 0.00 0.00 0.00 46.02 45.18 2dcq n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dcq h PRO 131 N 5.03 0.00 0.00 1.61 0.13 -2.02 -3.38 132.00 133.37 2dcq h PRO 131 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2dcq h PRO 131 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2dcq h PRO 131 CO 0.38 0.00 -0.03 0.43 -0.23 0.00 0.00 178.00 178.55 2dcq n SER 132 N -2.98 0.72 0.00 1.44 7.64 -1.26 -5.05 113.62 114.14 2dcq n SER 132 Ca 0.02 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2dcq n SER 132 Cb 0.38 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2dcq n SER 132 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dcq n SER 133 N -3.15 0.00 -0.70 6.43 2.88 -1.26 -5.16 113.62 112.65 2dcq n SER 133 Ca -0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2dcq n SER 133 Cb 0.02 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.80 2dcq n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42