#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw s SER 2 N 0.00 6.30 0.30 1.61 1.04 -1.26 -5.09 113.70 116.60 2dkw s SER 2 Ca 0.00 0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.66 2dkw s SER 2 Cb 0.00 -2.11 -0.08 0.00 0.10 0.00 0.00 66.02 63.93 2dkw s SER 2 CO 0.00 0.19 0.66 -0.55 0.98 0.00 0.00 173.24 174.52 2dkw s SER 3 N 0.20 6.66 -0.45 7.02 0.15 -1.26 -4.97 113.70 121.06 2dkw s SER 3 Ca 0.11 1.09 -0.27 0.00 0.70 0.00 0.00 55.95 57.59 2dkw s SER 3 Cb -0.12 -2.30 -0.06 0.00 -1.71 0.00 0.00 66.02 61.84 2dkw s SER 3 CO 0.00 -0.19 2.29 -0.83 1.20 0.00 0.00 173.24 175.72 2dkw s GLY 4 N -2.49 -0.16 -0.03 9.45 0.00 -1.26 -4.88 107.32 107.95 2dkw s GLY 4 Ca 0.51 0.10 -0.29 0.00 0.00 0.00 0.00 44.72 45.04 2dkw s GLY 4 CO 0.22 3.97 0.82 -0.56 0.00 0.00 0.00 173.10 177.55 2dkw s SER 5 N 10.84 -0.47 1.08 1.64 0.01 -1.26 -5.17 113.70 120.37 2dkw s SER 5 Ca 0.94 0.28 -0.14 0.00 1.31 0.00 0.00 55.95 58.34 2dkw s SER 5 Cb -0.20 0.43 0.23 0.00 0.21 0.00 0.00 66.02 66.69 2dkw s SER 5 CO 0.27 -0.60 0.51 -1.54 0.41 0.00 0.00 173.24 172.30 2dkw n SER 6 N 0.28 -3.27 0.00 2.44 3.41 -1.26 -4.36 113.62 110.86 2dkw n SER 6 Ca -0.13 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 2dkw n SER 6 Cb 0.60 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2dkw n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkw n GLY 7 N -2.25 1.91 0.36 5.00 0.00 -1.26 -4.67 105.19 104.28 2dkw n GLY 7 Ca 0.08 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.53 2dkw n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dkw h ASN 8 N 0.00 0.93 -0.64 1.61 2.35 -1.99 -1.66 115.58 116.18 2dkw h ASN 8 Ca 0.00 0.04 0.12 0.00 -0.55 0.00 0.00 56.30 55.91 2dkw h ASN 8 Cb 0.00 -0.15 -0.09 0.00 0.05 0.00 0.00 38.32 38.14 2dkw h ASN 8 CO 0.00 0.51 0.16 0.74 -1.65 0.00 0.00 177.43 177.19 2dkw h THR 9 N 1.01 0.63 -0.15 2.81 2.02 -1.83 -1.55 112.91 115.85 2dkw h THR 9 Ca 0.49 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.56 2dkw h THR 9 Cb 0.46 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2dkw h THR 9 CO -0.25 0.05 0.08 -0.07 0.37 0.00 0.00 175.52 175.70 2dkw h LEU 10 N 0.30 0.19 -0.96 2.58 -0.00 -1.67 -2.54 115.31 113.20 2dkw h LEU 10 Ca 0.34 -0.10 0.17 0.00 -0.00 0.00 0.00 57.88 58.29 2dkw h LEU 10 Cb 0.51 -0.05 -0.10 0.00 -0.00 0.00 0.00 40.66 41.02 2dkw h LEU 10 CO -0.41 0.24 0.56 -0.09 -0.00 0.00 0.00 178.44 178.74 2dkw h ARG 11 N 0.13 0.72 -0.67 1.13 1.12 -1.08 0.62 114.38 116.34 2dkw h ARG 11 Ca 0.05 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.81 2dkw h ARG 11 Cb 0.09 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 29.87 2dkw h ARG 11 CO -0.01 0.47 0.16 0.93 -3.11 0.00 0.00 179.97 178.42 2dkw h GLU 12 N 0.74 1.08 -0.30 0.20 4.39 -1.00 -3.03 114.58 116.66 2dkw h GLU 12 Ca 0.54 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 2dkw h GLU 12 Cb 0.81 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2dkw h GLU 12 CO -0.37 0.96 -0.00 1.25 -1.16 0.00 0.00 179.01 179.69 2dkw h LEU 13 N 1.01 0.52 -0.77 1.33 5.85 -0.56 -2.59 115.31 120.09 2dkw h LEU 13 Ca 0.21 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.72 2dkw h LEU 13 Cb 0.37 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 2dkw h LEU 13 CO 0.00 0.70 -0.45 -0.09 -0.34 0.00 0.00 178.44 178.26 2dkw h ARG 14 N 0.31 -0.12 0.54 1.25 2.43 -0.90 -0.67 114.38 117.22 2dkw h ARG 14 Ca 0.08 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2dkw h ARG 14 Cb 0.44 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2dkw h ARG 14 CO 0.02 -0.08 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.07 2dkw h LEU 15 N -0.13 -0.61 0.00 3.80 3.38 -1.55 -2.98 115.31 117.22 2dkw h LEU 15 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2dkw h LEU 15 Cb 0.54 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dkw h LEU 15 CO -0.81 -0.36 0.00 0.33 0.09 0.00 0.00 178.44 177.69 2dkw n PHE 16 N -5.36 0.00 -0.15 1.13 7.35 -0.69 -0.35 117.46 119.40 2dkw n PHE 16 Ca -0.12 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.53 2dkw n PHE 16 Cb 0.32 -0.32 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 2dkw n PHE 16 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dkw n LEU 17 N -2.27 -0.37 -0.19 -2.13 4.77 -0.35 -1.16 117.00 115.31 2dkw n LEU 17 Ca 0.00 1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 57.02 2dkw n LEU 17 Cb 0.00 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 2dkw n LEU 17 CO 0.00 -0.76 0.49 0.03 -1.33 0.00 0.00 177.39 175.82 2dkw h ARG 18 N 0.00 -0.18 -0.99 3.23 3.08 -1.26 0.26 114.38 118.52 2dkw h ARG 18 Ca 0.06 0.01 0.35 0.00 0.07 0.00 0.00 59.98 60.47 2dkw h ARG 18 Cb 0.14 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 30.06 2dkw h ARG 18 CO -0.33 -0.12 0.34 0.22 -1.07 0.00 0.00 179.97 179.01 2dkw h ASP 19 N -0.18 0.02 0.37 7.04 3.58 0.85 0.36 116.42 128.45 2dkw h ASP 19 Ca 0.08 0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 2dkw h ASP 19 Cb 0.39 0.35 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2dkw h ASP 19 CO -0.55 -0.39 -0.18 0.58 -2.88 0.00 0.00 179.24 175.83 2dkw h VAL 20 N 0.02 0.57 0.20 2.25 2.07 0.58 -2.36 116.25 119.58 2dkw h VAL 20 Ca 0.74 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.71 2dkw h VAL 20 Cb 1.81 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 2dkw h VAL 20 CO -0.82 0.10 -0.31 0.74 0.02 0.00 0.00 177.57 177.30 2dkw h THR 21 N -0.85 0.34 -0.24 2.57 2.02 0.87 -2.96 112.91 114.66 2dkw h THR 21 Ca -0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 2dkw h THR 21 Cb 0.53 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 2dkw h THR 21 CO 0.08 0.00 -0.49 0.11 0.37 0.00 0.00 175.52 175.60 2dkw h LYS 22 N -0.58 -0.46 -0.87 6.66 1.57 -0.52 0.34 116.57 122.71 2dkw h LYS 22 Ca 0.01 0.03 0.34 0.00 -1.87 0.00 0.00 60.65 59.16 2dkw h LYS 22 Cb 0.58 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.86 2dkw h LYS 22 CO -0.13 -0.30 0.50 -2.13 -0.57 0.00 0.00 179.45 176.81 2dkw n ARG 23 N -5.42 -0.04 -0.03 3.15 0.63 -0.89 0.14 116.66 114.20 2dkw n ARG 23 Ca -0.04 1.04 -0.15 0.00 -0.92 0.00 0.00 57.85 57.79 2dkw n ARG 23 Cb 0.36 -1.93 -0.12 0.00 0.45 0.00 0.00 32.46 31.23 2dkw n ARG 23 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2dkw h LEU 24 N 0.00 0.13 -1.87 6.15 3.38 -0.92 -3.26 115.31 118.93 2dkw h LEU 24 Ca 0.67 -0.78 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2dkw h LEU 24 Cb 1.89 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 2dkw h LEU 24 CO -0.53 0.90 0.18 0.00 0.09 0.00 0.00 178.44 179.08 2dkw h ALA 25 N 0.24 2.03 -0.59 1.53 0.00 0.19 -2.00 119.26 120.67 2dkw h ALA 25 Ca -0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.46 2dkw h ALA 25 Cb 0.92 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.50 2dkw h ALA 25 CO 0.03 -0.08 0.51 0.25 0.00 0.00 0.00 179.25 179.96 2dkw n THR 26 N -4.49 3.02 -3.35 0.00 -2.24 0.96 -4.55 114.28 103.63 2dkw n THR 26 Ca 0.02 -2.11 -0.08 0.00 -2.27 0.00 0.00 64.05 59.61 2dkw n THR 26 Cb 0.22 -1.34 -0.08 0.00 -2.10 0.00 0.00 70.33 67.03 2dkw n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dkw s ASP 27 N -0.18 0.08 0.25 3.42 2.15 -0.75 -4.97 116.67 116.68 2dkw s ASP 27 Ca 0.41 0.32 0.11 0.00 0.43 0.00 0.00 52.55 53.82 2dkw s ASP 27 Cb 0.31 1.21 0.84 0.00 -0.30 0.00 0.00 42.92 44.98 2dkw s ASP 27 CO -0.04 -0.29 1.15 1.17 -0.17 0.00 0.00 175.17 176.98 2dkw n LYS 28 N 5.37 -0.05 -0.17 4.34 4.81 -1.26 0.18 118.16 131.38 2dkw n LYS 28 Ca -0.04 1.04 -0.02 0.00 -0.87 0.00 0.00 58.31 58.42 2dkw n LYS 28 Cb 0.50 -1.78 0.07 0.00 0.02 0.00 0.00 35.03 33.83 2dkw n LYS 28 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dkw h ARG 29 N 0.00 0.12 -0.64 1.64 3.08 -1.95 -2.16 114.38 114.46 2dkw h ARG 29 Ca 0.56 -0.01 -0.43 0.00 0.07 0.00 0.00 59.98 60.17 2dkw h ARG 29 Cb 1.39 -0.03 -0.28 0.00 0.08 0.00 0.00 29.97 31.13 2dkw h ARG 29 CO -0.60 0.08 -0.23 1.19 -1.07 0.00 0.00 179.97 179.34 2dkw n PHE 30 N -5.23 2.19 -0.04 3.04 3.72 0.47 -4.65 117.46 116.97 2dkw n PHE 30 Ca 0.06 -2.16 -0.22 0.00 -0.05 0.00 0.00 57.45 55.09 2dkw n PHE 30 Cb 0.28 -0.61 -0.13 0.00 -0.94 0.00 0.00 39.48 38.08 2dkw n PHE 30 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2dkw h ASN 31 N 1.71 0.25 -0.29 4.37 4.21 -0.19 -3.33 115.58 122.31 2dkw h ASN 31 Ca 0.36 -0.76 0.08 0.00 1.21 0.00 0.00 56.30 57.19 2dkw h ASN 31 Cb 1.41 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.52 2dkw h ASN 31 CO 0.78 1.68 0.54 0.16 -1.29 0.00 0.00 177.43 179.29 2dkw h ILE 32 N -0.41 0.16 0.15 2.81 3.07 -1.83 0.39 117.51 121.85 2dkw h ILE 32 Ca -0.38 0.00 -0.31 0.00 1.55 0.00 0.00 64.86 65.72 2dkw h ILE 32 Cb 1.70 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2dkw h ILE 32 CO -0.03 0.00 -1.53 -0.26 -1.05 0.00 0.00 178.15 175.27 2dkw h PHE 33 N 0.00 0.58 -0.73 0.16 0.04 -1.91 -3.30 116.94 111.77 2dkw h PHE 33 Ca 0.14 -0.42 0.21 0.00 2.80 0.00 0.00 57.97 60.70 2dkw h PHE 33 Cb 1.20 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.30 2dkw h PHE 33 CO 0.00 1.45 0.76 1.03 -0.60 0.00 0.00 178.31 180.94 2dkw h SER 34 N 0.09 0.00 -2.80 2.17 0.87 -0.32 -3.39 113.55 110.16 2dkw h SER 34 Ca -0.25 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.70 2dkw h SER 34 Cb 2.05 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.88 2dkw h SER 34 CO 0.18 0.00 -0.70 -0.54 -0.53 0.00 0.00 176.83 175.24 2dkw s LYS 35 N -4.60 2.14 -0.60 2.24 -0.14 -1.22 -4.06 119.74 113.50 2dkw s LYS 35 Ca -0.04 -1.29 -0.27 0.00 -1.36 0.00 0.00 55.97 53.01 2dkw s LYS 35 Cb 0.16 -2.17 -0.02 0.00 -1.68 0.00 0.00 37.83 34.12 2dkw s LYS 35 CO 0.56 0.42 1.86 -1.25 -0.76 0.00 0.00 175.35 176.17 2dkw s PRO 36 N -3.03 2.66 -0.52 -1.68 0.04 -1.26 -4.87 135.00 126.34 2dkw s PRO 36 Ca 0.27 0.64 -0.06 0.00 0.04 0.00 0.00 61.00 61.88 2dkw s PRO 36 Cb -0.08 -4.38 -0.18 0.00 0.04 0.00 0.00 34.50 29.90 2dkw s PRO 36 CO 0.17 -2.69 3.03 1.33 0.04 0.00 0.00 177.00 178.87 2dkw n VAL 37 N 7.22 3.03 -4.27 -0.36 0.24 -1.26 -4.82 118.33 118.10 2dkw n VAL 37 Ca 0.20 -1.65 -0.15 0.00 -2.04 0.00 0.00 64.34 60.71 2dkw n VAL 37 Cb 0.52 -2.13 -0.10 0.00 -1.47 0.00 0.00 33.84 30.65 2dkw n VAL 37 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2dkw s SER 38 N 2.29 1.11 -0.07 -1.34 1.04 -1.26 -4.73 113.70 110.73 2dkw s SER 38 Ca 0.59 -1.30 -0.09 0.00 0.48 0.00 0.00 55.95 55.63 2dkw s SER 38 Cb 0.23 0.16 -0.29 0.00 0.10 0.00 0.00 66.02 66.22 2dkw s SER 38 CO -0.02 -0.67 0.56 -0.78 0.98 0.00 0.00 173.24 173.31 2dkw h ASP 39 N 2.54 0.55 -4.76 7.02 3.58 -1.94 -3.48 116.42 119.92 2dkw h ASP 39 Ca -0.37 -0.94 -0.57 0.00 0.42 0.00 0.00 57.03 55.56 2dkw h ASP 39 Cb 1.23 -0.18 -0.11 0.00 1.72 0.00 0.00 39.33 41.99 2dkw h ASP 39 CO 0.61 1.81 -0.42 0.00 -2.88 0.00 0.00 179.24 178.36 2dkw n TYR 40 N -3.55 0.93 0.18 0.28 9.36 -1.26 -5.06 117.16 118.03 2dkw n TYR 40 Ca -0.27 -2.21 0.02 0.00 3.32 0.00 0.00 57.90 58.75 2dkw n TYR 40 Cb 1.07 -0.26 -0.02 0.00 -0.63 0.00 0.00 39.34 39.50 2dkw n TYR 40 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 2dkw n LEU 41 N 0.00 0.30 -0.10 2.98 -0.00 -1.26 -4.67 117.00 114.25 2dkw n LEU 41 Ca -0.17 -0.55 -0.13 0.00 -0.00 0.00 0.00 56.01 55.16 2dkw n LEU 41 Cb 0.56 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.86 2dkw n LEU 41 CO 0.30 0.07 -1.18 1.21 -0.00 0.00 0.00 177.39 177.79 2dkw n GLU 42 N -0.94 0.78 0.20 1.47 4.07 -1.26 -4.33 120.64 120.63 2dkw n GLU 42 Ca 0.01 0.08 0.09 0.00 -0.06 0.00 0.00 57.16 57.28 2dkw n GLU 42 Cb 0.06 -1.46 0.50 0.00 -0.06 0.00 0.00 31.44 30.49 2dkw n GLU 42 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2dkw h VAL 43 N 0.00 0.00 -3.43 6.31 3.04 -2.00 -3.39 116.25 116.78 2dkw h VAL 43 Ca -0.50 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 64.60 2dkw h VAL 43 Cb 1.91 0.41 -0.10 0.00 -2.01 0.00 0.00 31.29 31.50 2dkw h VAL 43 CO -0.04 0.00 -0.11 -0.63 -1.01 0.00 0.00 177.57 175.79 2dkw s ILE 44 N -3.54 5.15 -0.07 3.17 1.01 -1.26 -4.99 121.20 120.68 2dkw s ILE 44 Ca -0.02 0.89 -0.10 0.00 0.00 0.00 0.00 60.65 61.42 2dkw s ILE 44 Cb 0.05 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 2dkw s ILE 44 CO 0.17 0.24 0.40 0.11 0.00 0.00 0.00 174.94 175.86 2dkw h LYS 45 N 7.22 -0.28 -3.23 2.79 6.56 -1.94 -3.40 116.57 124.30 2dkw h LYS 45 Ca -0.36 0.02 -0.67 0.00 -1.06 0.00 0.00 60.65 58.58 2dkw h LYS 45 Cb 1.16 0.06 -0.38 0.00 -0.57 0.00 0.00 32.23 32.50 2dkw h LYS 45 CO 0.74 -0.12 -0.30 -1.21 -2.06 0.00 0.00 179.45 176.50 2dkw s GLU 46 N -2.60 2.93 0.26 3.15 0.41 -1.26 -5.08 118.70 116.51 2dkw s GLU 46 Ca -0.06 -3.29 -0.30 0.00 -0.41 0.00 0.00 54.97 50.92 2dkw s GLU 46 Cb 0.00 -3.73 -0.09 0.00 -1.78 0.00 0.00 34.13 28.53 2dkw s GLU 46 CO 0.18 -1.27 1.26 -1.25 -0.49 0.00 0.00 175.26 173.69 2dkw s PRO 47 N -1.36 4.43 -0.30 0.39 0.04 -1.26 -4.97 135.00 131.97 2dkw s PRO 47 Ca 0.26 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.19 2dkw s PRO 47 Cb -0.07 -3.16 0.17 0.00 0.04 0.00 0.00 34.50 31.49 2dkw s PRO 47 CO -0.14 -0.14 1.05 1.41 0.04 0.00 0.00 177.00 179.22 2dkw s MET 48 N -0.90 0.26 0.07 4.56 1.75 -1.26 -5.11 119.30 118.68 2dkw s MET 48 Ca 0.52 0.58 -0.09 0.00 -1.25 0.00 0.00 55.69 55.45 2dkw s MET 48 Cb -0.36 0.26 -0.00 0.00 2.84 0.00 0.00 34.83 37.56 2dkw s MET 48 CO 0.43 -0.08 0.19 -0.51 -0.65 0.00 0.00 175.02 174.41 2dkw s ASP 49 N 1.99 0.10 0.20 1.11 1.01 -1.26 -4.54 116.67 115.28 2dkw s ASP 49 Ca -0.04 -0.57 -0.03 0.00 0.71 0.00 0.00 52.55 52.62 2dkw s ASP 49 Cb -0.04 0.32 0.41 0.00 1.01 0.00 0.00 42.92 44.62 2dkw s ASP 49 CO -0.16 -0.68 1.09 0.18 0.21 0.00 0.00 175.17 175.82 2dkw n LEU 50 N 0.17 -0.18 0.00 1.23 4.77 -1.26 -0.76 117.00 120.96 2dkw n LEU 50 Ca -0.16 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 2dkw n LEU 50 Cb 0.61 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2dkw n LEU 50 CO 0.22 -1.17 0.49 -0.24 -1.33 0.00 0.00 177.39 175.36 2dkw n SER 51 N -5.06 0.00 -0.25 -1.43 2.88 -1.26 -1.47 113.62 107.04 2dkw n SER 51 Ca 0.13 0.99 0.06 0.00 -1.33 0.00 0.00 58.87 58.71 2dkw n SER 51 Cb 0.43 -0.49 0.18 0.00 -0.75 0.00 0.00 64.21 63.58 2dkw n SER 51 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dkw h THR 52 N 0.00 0.54 -0.62 2.46 2.02 -1.30 -1.12 112.91 114.88 2dkw h THR 52 Ca 0.00 -0.10 0.12 0.00 0.77 0.00 0.00 66.41 67.20 2dkw h THR 52 Cb 0.00 0.22 -0.12 0.00 -1.74 0.00 0.00 68.15 66.51 2dkw h THR 52 CO 0.00 0.05 -0.19 0.58 0.37 0.00 0.00 175.52 176.33 2dkw h VAL 53 N 0.29 0.32 -0.13 3.16 2.07 -0.60 -1.44 116.25 119.91 2dkw h VAL 53 Ca 0.41 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.98 2dkw h VAL 53 Cb 0.70 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 2dkw h VAL 53 CO -0.49 0.00 -0.36 0.40 0.02 0.00 0.00 177.57 177.14 2dkw h ILE 54 N -0.04 0.22 -0.63 4.57 2.04 -0.05 -2.51 117.51 121.11 2dkw h ILE 54 Ca 0.29 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.23 2dkw h ILE 54 Cb 0.49 0.22 -0.10 0.00 -0.74 0.00 0.00 36.82 36.69 2dkw h ILE 54 CO -0.66 0.00 -0.51 0.74 0.00 0.00 0.00 178.15 177.72 2dkw h THR 55 N -0.44 0.03 -0.74 -0.27 2.02 -1.20 -0.47 112.91 111.84 2dkw h THR 55 Ca 0.09 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.39 2dkw h THR 55 Cb 0.58 0.03 -0.13 0.00 -1.74 0.00 0.00 68.15 66.89 2dkw h THR 55 CO -0.37 0.00 -0.34 0.11 0.37 0.00 0.00 175.52 175.29 2dkw h LYS 56 N -0.23 -0.09 -0.92 6.66 1.57 -1.12 0.81 116.57 123.25 2dkw h LYS 56 Ca 0.15 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.15 2dkw h LYS 56 Cb 0.54 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2dkw h LYS 56 CO -0.73 -0.06 0.61 0.82 -0.57 0.00 0.00 179.45 179.52 2dkw h ILE 57 N -0.10 0.65 0.00 1.86 2.04 -0.81 0.29 117.51 121.45 2dkw h ILE 57 Ca 0.28 -0.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.85 2dkw h ILE 57 Cb 0.57 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2dkw h ILE 57 CO -0.79 0.07 -0.88 0.44 0.00 0.00 0.00 178.15 176.99 2dkw h ASP 58 N 0.38 0.00 -0.38 1.72 5.19 0.97 -3.30 116.42 121.00 2dkw h ASP 58 Ca 0.48 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.64 2dkw h ASP 58 Cb 1.24 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.64 2dkw h ASP 58 CO -0.18 0.71 0.32 0.29 -3.12 0.00 0.00 179.24 177.26 2dkw n LYS 59 N -3.21 1.61 -3.92 3.56 4.76 0.11 -4.83 118.16 116.25 2dkw n LYS 59 Ca -0.02 -1.24 -0.31 0.00 -2.87 0.00 0.00 58.31 53.88 2dkw n LYS 59 Cb 0.84 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.48 2dkw n LYS 59 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2dkw n HIS 60 N 0.39 -0.94 -0.07 2.13 8.25 -1.17 -4.80 115.22 119.01 2dkw n HIS 60 Ca 0.24 0.53 -0.04 0.00 -0.26 0.00 0.00 57.72 58.18 2dkw n HIS 60 Cb 0.66 -1.71 -0.01 0.00 1.12 0.00 0.00 29.99 30.05 2dkw n HIS 60 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2dkw h ASN 61 N -0.85 0.00 -3.27 0.41 4.21 -1.63 -3.46 115.58 110.98 2dkw h ASN 61 Ca -0.49 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.49 2dkw h ASN 61 Cb 1.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 2dkw h ASN 61 CO 0.66 0.72 0.54 -0.31 -1.29 0.00 0.00 177.43 177.75 2dkw s TYR 62 N -2.16 3.47 -0.01 1.19 2.02 -1.26 -4.90 117.35 115.70 2dkw s TYR 62 Ca -0.13 1.37 0.01 0.00 -0.37 0.00 0.00 57.07 57.96 2dkw s TYR 62 Cb 0.02 -3.38 -0.02 0.00 -0.40 0.00 0.00 41.96 38.18 2dkw s TYR 62 CO 0.19 -1.10 0.00 1.47 -1.57 0.00 0.00 175.55 174.55 2dkw n LEU 63 N 3.63 0.02 -4.26 -1.29 -0.00 -1.26 -4.87 117.00 108.97 2dkw n LEU 63 Ca 0.08 -0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.80 2dkw n LEU 63 Cb 0.47 0.03 -0.16 0.00 -0.00 0.00 0.00 43.42 43.76 2dkw n LEU 63 CO 0.55 0.04 -0.55 0.42 -0.00 0.00 0.00 177.39 177.85 2dkw s THR 64 N -2.03 1.83 0.25 1.47 -4.23 -1.26 -4.72 115.64 106.94 2dkw s THR 64 Ca -0.01 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.47 2dkw s THR 64 Cb 0.00 -1.52 0.22 0.00 1.34 0.00 0.00 72.50 72.54 2dkw s THR 64 CO 0.06 0.52 1.84 0.00 -0.54 0.00 0.00 174.62 176.50 2dkw h ALA 65 N 5.61 1.21 -0.85 3.99 0.00 -1.95 -1.74 119.26 125.53 2dkw h ALA 65 Ca -0.40 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.64 2dkw h ALA 65 Cb 1.13 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 2dkw h ALA 65 CO 0.47 0.24 0.45 0.87 0.00 0.00 0.00 179.25 181.29 2dkw h LYS 66 N 0.94 0.66 -0.22 0.00 1.79 -1.96 -1.45 116.57 116.34 2dkw h LYS 66 Ca 0.39 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.81 2dkw h LYS 66 Cb 0.23 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2dkw h LYS 66 CO -0.19 0.43 0.10 -0.44 -1.08 0.00 0.00 179.45 178.27 2dkw h ASP 67 N 0.68 0.29 0.30 0.86 5.19 -1.75 -3.04 116.42 118.96 2dkw h ASP 67 Ca 0.45 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 2dkw h ASP 67 Cb 0.58 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 2dkw h ASP 67 CO -0.33 0.35 -0.36 0.15 -3.12 0.00 0.00 179.24 175.94 2dkw h PHE 68 N 0.21 -0.99 -0.87 4.55 3.57 -1.04 -2.79 116.94 119.57 2dkw h PHE 68 Ca 0.07 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.72 2dkw h PHE 68 Cb 0.15 0.39 -0.14 0.00 2.79 0.00 0.00 35.95 39.14 2dkw h PHE 68 CO -0.02 -0.46 -0.34 1.28 -2.23 0.00 0.00 178.31 176.54 2dkw n LEU 69 N -4.53 -0.56 -0.31 0.59 4.77 -0.73 0.12 117.00 116.35 2dkw n LEU 69 Ca -0.08 1.52 0.14 0.00 -0.03 0.00 0.00 56.01 57.55 2dkw n LEU 69 Cb 0.32 -0.35 0.29 0.00 -2.33 0.00 0.00 43.42 41.35 2dkw n LEU 69 CO 0.17 -1.36 0.88 0.11 -1.33 0.00 0.00 177.39 175.86 2dkw h LYS 70 N 0.00 0.10 -0.56 3.23 1.57 -1.37 0.88 116.57 120.42 2dkw h LYS 70 Ca 0.30 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2dkw h LYS 70 Cb 0.52 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2dkw h LYS 70 CO -0.86 0.07 0.16 -0.44 -0.57 0.00 0.00 179.45 177.80 2dkw h ASP 71 N 0.11 0.78 -0.40 0.86 3.32 0.98 -2.40 116.42 119.67 2dkw h ASP 71 Ca 0.57 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 2dkw h ASP 71 Cb 1.18 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2dkw h ASP 71 CO -0.76 0.75 0.20 0.40 -1.72 0.00 0.00 179.24 178.11 2dkw h ILE 72 N 0.82 1.16 -0.40 0.35 1.08 0.12 -2.25 117.51 118.38 2dkw h ILE 72 Ca 0.18 -0.46 -0.11 0.00 -0.39 0.00 0.00 64.86 64.08 2dkw h ILE 72 Cb 0.26 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 2dkw h ILE 72 CO -0.01 0.19 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.65 2dkw h ASP 73 N 0.62 0.80 -0.51 1.72 3.58 -0.84 -3.08 116.42 118.71 2dkw h ASP 73 Ca 0.15 -0.28 0.05 0.00 0.42 0.00 0.00 57.03 57.37 2dkw h ASP 73 Cb 0.09 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.87 2dkw h ASP 73 CO -0.02 0.99 0.23 0.25 -2.88 0.00 0.00 179.24 177.82 2dkw h LEU 74 N 0.69 0.31 -0.78 2.28 5.85 -1.23 -2.15 115.31 120.28 2dkw h LEU 74 Ca 0.10 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.03 2dkw h LEU 74 Cb 0.72 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.63 2dkw h LEU 74 CO 0.06 0.21 0.22 0.40 -0.34 0.00 0.00 178.44 178.99 2dkw h ILE 75 N 0.45 0.48 0.29 4.05 2.04 -1.44 0.11 117.51 123.50 2dkw h ILE 75 Ca 0.23 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2dkw h ILE 75 Cb 0.18 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2dkw h ILE 75 CO -0.19 0.05 -0.46 0.00 0.00 0.00 0.00 178.15 177.56 2dkw h SER 77 N -0.81 0.65 -0.98 0.00 4.64 -1.28 -2.06 113.55 113.72 2dkw h SER 77 Ca -0.02 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.47 2dkw h SER 77 Cb 0.76 -0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 62.62 2dkw h SER 77 CO -0.16 0.45 0.59 0.78 -0.87 0.00 0.00 176.83 177.62 2dkw h ASN 78 N 0.79 0.78 0.10 4.97 4.21 -0.39 -0.73 115.58 125.30 2dkw h ASN 78 Ca 0.27 0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.86 2dkw h ASN 78 Cb 0.04 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 2dkw h ASN 78 CO -0.11 0.32 -0.05 0.00 -1.29 0.00 0.00 177.43 176.30 2dkw h ALA 79 N 1.60 -0.98 -0.61 -0.83 0.00 -0.50 -2.67 119.26 115.26 2dkw h ALA 79 Ca 0.54 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.54 2dkw h ALA 79 Cb 0.75 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 2dkw h ALA 79 CO -0.35 -0.98 -0.21 -0.07 0.00 0.00 0.00 179.25 177.65 2dkw h LEU 80 N -0.14 -0.74 -0.58 0.00 3.38 -1.43 -2.13 115.31 113.66 2dkw h LEU 80 Ca -0.01 0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.21 2dkw h LEU 80 Cb 0.11 0.44 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 2dkw h LEU 80 CO 0.02 -0.24 -0.39 -0.33 0.09 0.00 0.00 178.44 177.59 2dkw h GLU 81 N -0.05 -0.05 -3.55 1.13 4.39 -1.12 -3.13 114.58 112.19 2dkw h GLU 81 Ca 0.28 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.25 2dkw h GLU 81 Cb 0.49 0.01 -0.32 0.00 -0.10 0.00 0.00 28.75 28.84 2dkw h GLU 81 CO -0.66 -0.03 -0.04 0.71 -1.16 0.00 0.00 179.01 177.82 2dkw s TYR 82 N -4.68 3.77 -0.27 4.33 2.02 -0.81 -4.97 117.35 116.75 2dkw s TYR 82 Ca -0.08 -2.63 -0.01 0.00 -0.37 0.00 0.00 57.07 53.98 2dkw s TYR 82 Cb 0.07 -3.46 0.14 0.00 -0.40 0.00 0.00 41.96 38.31 2dkw s TYR 82 CO 0.41 -0.86 0.38 -0.80 -1.57 0.00 0.00 175.55 173.11 2dkw s ASN 83 N 0.89 0.44 0.77 2.29 0.01 -1.18 -4.73 114.94 113.42 2dkw s ASN 83 Ca 0.22 -0.12 -0.11 0.00 -0.71 0.00 0.00 52.86 52.15 2dkw s ASN 83 Cb -0.12 1.05 0.06 0.00 0.41 0.00 0.00 41.25 42.65 2dkw s ASN 83 CO -0.08 -0.33 1.09 -2.16 -1.51 0.00 0.00 177.10 174.11 2dkw s PRO 84 N 2.53 2.27 -0.38 -0.60 0.04 -1.26 -4.98 135.00 132.62 2dkw s PRO 84 Ca 0.11 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.39 2dkw s PRO 84 Cb -0.14 -1.90 0.52 0.00 0.04 0.00 0.00 34.50 33.02 2dkw s PRO 84 CO -0.23 -1.64 1.59 -0.40 0.04 0.00 0.00 177.00 176.36 2dkw n ASP 85 N -3.48 3.88 -0.21 6.66 5.75 -1.26 -4.70 116.55 123.19 2dkw n ASP 85 Ca 0.09 -3.76 -0.06 0.00 -0.01 0.00 0.00 54.79 51.05 2dkw n ASP 85 Cb 0.53 -0.68 0.04 0.00 -1.03 0.00 0.00 41.12 39.98 2dkw n ASP 85 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2dkw h LYS 86 N 1.34 0.77 -6.23 0.11 3.64 -2.04 -3.43 116.57 110.73 2dkw h LYS 86 Ca 0.38 -0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 59.12 2dkw h LYS 86 Cb 1.70 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 33.27 2dkw h LYS 86 CO 0.76 0.51 -0.59 -0.51 -2.27 0.00 0.00 179.45 177.34 2dkw s ASP 87 N -5.72 5.33 0.02 4.20 1.01 -1.26 -5.00 116.67 115.25 2dkw s ASP 87 Ca -0.13 -0.19 0.15 0.00 0.71 0.00 0.00 52.55 53.09 2dkw s ASP 87 Cb 0.13 -1.34 0.64 0.00 1.01 0.00 0.00 42.92 43.36 2dkw s ASP 87 CO 0.75 0.08 1.47 -0.81 0.21 0.00 0.00 175.17 176.88 2dkw n PRO 88 N -0.22 0.02 0.18 8.23 -0.04 -1.26 -2.77 135.00 139.15 2dkw n PRO 88 Ca -0.09 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2dkw n PRO 88 Cb 0.54 -1.53 0.61 0.00 -0.04 0.00 0.00 33.50 33.09 2dkw n PRO 88 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2dkw h GLY 89 N 2.41 0.00 0.67 0.55 0.00 -1.95 -3.02 103.07 101.73 2dkw h GLY 89 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2dkw h GLY 89 CO 0.00 0.00 0.21 1.29 0.00 0.00 0.00 176.54 178.04 2dkw h ASP 90 N 0.00 0.28 -0.79 0.19 3.04 -1.85 -1.07 116.42 116.22 2dkw h ASP 90 Ca 0.00 0.04 0.23 0.00 -3.24 0.00 0.00 57.03 54.06 2dkw h ASP 90 Cb 0.28 -0.01 -0.03 0.00 -1.04 0.00 0.00 39.33 38.54 2dkw h ASP 90 CO 0.00 0.20 1.02 0.11 -2.04 0.00 0.00 179.24 178.53 2dkw h LYS 91 N 0.42 0.00 0.00 4.15 1.57 -1.80 0.11 116.57 121.01 2dkw h LYS 91 Ca 0.22 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2dkw h LYS 91 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2dkw h LYS 91 CO -0.18 0.00 -0.49 0.82 -0.57 0.00 0.00 179.45 179.03 2dkw h ILE 92 N 0.00 0.18 -0.98 1.86 5.03 -1.42 -3.38 117.51 118.79 2dkw h ILE 92 Ca 0.37 -1.20 0.34 0.00 -0.12 0.00 0.00 64.86 64.26 2dkw h ILE 92 Cb 2.42 0.40 -0.18 0.00 -3.03 0.00 0.00 36.82 36.43 2dkw h ILE 92 CO -0.00 0.06 0.28 -0.38 -0.68 0.00 0.00 178.15 177.43 2dkw n ILE 93 N -4.63 -0.41 -0.32 -0.67 5.41 -0.04 0.66 119.36 119.36 2dkw n ILE 93 Ca -0.09 2.08 0.20 0.00 1.00 0.00 0.00 62.75 65.94 2dkw n ILE 93 Cb 0.27 -3.20 0.39 0.00 -0.71 0.00 0.00 39.64 36.39 2dkw n ILE 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2dkw h ARG 94 N 0.00 0.10 0.04 0.38 2.43 -1.56 -0.68 114.38 115.09 2dkw h ARG 94 Ca 0.72 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 59.60 2dkw h ARG 94 Cb 1.73 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.23 2dkw h ARG 94 CO -0.84 0.07 -1.54 1.58 -1.51 0.00 0.00 179.97 177.73 2dkw n HIS 95 N -5.30 1.07 -0.45 2.20 -0.00 0.21 -4.17 115.22 108.78 2dkw n HIS 95 Ca 0.28 0.37 0.39 0.00 0.46 0.00 0.00 57.72 59.21 2dkw n HIS 95 Cb 0.90 -1.12 0.66 0.00 -0.12 0.00 0.00 29.99 30.32 2dkw n HIS 95 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2dkw h ARG 96 N -0.66 0.03 0.55 1.57 2.43 -0.26 0.86 114.38 118.91 2dkw h ARG 96 Ca -0.38 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.76 2dkw h ARG 96 Cb 1.55 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 31.10 2dkw h ARG 96 CO -0.12 0.02 -0.27 0.00 -1.51 0.00 0.00 179.97 178.09 2dkw h ALA 97 N 1.65 -1.12 -0.82 2.80 0.00 -1.32 -2.14 119.26 118.30 2dkw h ALA 97 Ca 0.87 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.70 2dkw h ALA 97 Cb 2.72 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 20.72 2dkw h ALA 97 CO -0.49 -1.07 0.47 0.00 0.00 0.00 0.00 179.25 178.16 2dkw h THR 99 N 0.80 0.81 -0.15 0.00 2.02 -0.90 -1.73 112.91 113.77 2dkw h THR 99 Ca 0.39 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.34 2dkw h THR 99 Cb 0.34 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 2dkw h THR 99 CO -0.24 0.14 -0.02 0.25 0.37 0.00 0.00 175.52 176.03 2dkw h LEU 100 N 0.77 -0.09 -0.01 2.58 5.85 -0.57 -2.61 115.31 121.23 2dkw h LEU 100 Ca 0.47 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.25 2dkw h LEU 100 Cb 0.59 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 2dkw h LEU 100 CO -0.32 -0.03 -0.37 0.50 -0.34 0.00 0.00 178.44 177.89 2dkw h LYS 101 N 0.03 -0.43 -0.90 1.25 3.64 -1.24 0.77 116.57 119.68 2dkw h LYS 101 Ca 0.07 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 59.72 2dkw h LYS 101 Cb 0.10 0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 31.85 2dkw h LYS 101 CO -0.13 -0.29 0.07 0.22 -2.27 0.00 0.00 179.45 177.04 2dkw h ASP 102 N -0.45 -0.35 0.71 4.20 3.58 -1.42 0.17 116.42 122.86 2dkw h ASP 102 Ca 0.01 0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 2dkw h ASP 102 Cb 0.49 0.40 0.01 0.00 1.72 0.00 0.00 39.33 41.95 2dkw h ASP 102 CO -0.25 -0.27 -0.34 0.74 -2.88 0.00 0.00 179.24 176.24 2dkw h THR 103 N 0.07 0.26 -0.32 2.25 2.02 -0.90 -0.06 112.91 116.24 2dkw h THR 103 Ca 0.54 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.69 2dkw h THR 103 Cb 1.08 0.29 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 2dkw h THR 103 CO -0.80 0.01 -0.20 0.00 0.37 0.00 0.00 175.52 174.90 2dkw h ALA 104 N -0.79 0.02 -0.95 6.16 0.00 0.72 0.23 119.26 124.66 2dkw h ALA 104 Ca -0.10 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2dkw h ALA 104 Cb 0.75 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2dkw h ALA 104 CO 0.16 -0.59 0.62 0.45 0.00 0.00 0.00 179.25 179.89 2dkw h HIS 105 N -0.16 1.14 -0.47 0.00 -0.00 -0.71 -1.85 115.15 113.11 2dkw h HIS 105 Ca 0.16 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.45 2dkw h HIS 105 Cb 0.41 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 2dkw h HIS 105 CO -0.40 0.64 -0.16 0.00 -0.00 0.00 0.00 177.93 178.02 2dkw h ALA 106 N 1.46 0.83 -0.61 2.45 0.00 0.49 -1.22 119.26 122.65 2dkw h ALA 106 Ca 0.38 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2dkw h ALA 106 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2dkw h ALA 106 CO -0.13 0.65 0.29 0.82 0.00 0.00 0.00 179.25 180.88 2dkw h ILE 107 N 0.80 1.22 0.21 0.00 2.04 0.16 -1.10 117.51 120.83 2dkw h ILE 107 Ca 0.12 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2dkw h ILE 107 Cb 0.70 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2dkw h ILE 107 CO 0.05 0.25 -0.10 0.40 0.00 0.00 0.00 178.15 178.75 2dkw h ILE 108 N 0.84 0.84 -1.00 -0.67 1.08 -1.27 0.27 117.51 117.61 2dkw h ILE 108 Ca 0.21 -0.88 0.18 0.00 -0.39 0.00 0.00 64.86 63.97 2dkw h ILE 108 Cb 0.13 1.32 -0.10 0.00 -3.07 0.00 0.00 36.82 35.09 2dkw h ILE 108 CO -0.03 0.18 0.61 0.00 -0.69 0.00 0.00 178.15 178.22 2dkw h ALA 109 N -0.15 1.63 0.08 1.87 0.00 -1.21 0.99 119.26 122.47 2dkw h ALA 109 Ca -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dkw h ALA 109 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dkw h ALA 109 CO 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.25 2dkw h ALA 110 N 1.63 -0.11 0.29 0.00 0.00 -1.20 -3.40 119.26 116.47 2dkw h ALA 110 Ca 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2dkw h ALA 110 Cb 0.82 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2dkw h ALA 110 CO -0.36 -0.13 -0.14 0.93 0.00 0.00 0.00 179.25 179.55 2dkw h GLU 111 N -0.98 -0.38 -6.14 0.00 5.08 -0.16 -3.44 114.58 108.55 2dkw h GLU 111 Ca -0.01 0.03 -0.64 0.00 -1.00 0.00 0.00 59.36 57.73 2dkw h GLU 111 Cb 0.40 0.09 0.12 0.00 0.50 0.00 0.00 28.75 29.86 2dkw h GLU 111 CO 0.02 -0.25 -0.42 -0.11 -1.00 0.00 0.00 179.01 177.24 2dkw n LEU 112 N -3.23 -0.65 -4.86 1.33 7.94 0.34 -4.94 117.00 112.93 2dkw n LEU 112 Ca -0.05 1.08 -0.37 0.00 -1.11 0.00 0.00 56.01 55.56 2dkw n LEU 112 Cb 0.16 -1.03 -0.06 0.00 0.53 0.00 0.00 43.42 43.01 2dkw n LEU 112 CO 0.12 -2.78 -0.05 -0.62 -1.11 0.00 0.00 177.39 172.95 2dkw s ASP 113 N -0.90 6.57 0.00 1.96 2.15 -1.26 -4.78 116.67 120.41 2dkw s ASP 113 Ca 0.62 0.68 0.14 0.00 0.43 0.00 0.00 52.55 54.43 2dkw s ASP 113 Cb -0.81 -2.15 0.86 0.00 -0.30 0.00 0.00 42.92 40.52 2dkw s ASP 113 CO 0.58 0.37 1.28 -0.81 -0.17 0.00 0.00 175.17 176.42 2dkw n PRO 114 N 1.91 0.49 -0.06 4.34 -0.04 -1.26 -2.13 135.00 138.25 2dkw n PRO 114 Ca -0.17 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.22 2dkw n PRO 114 Cb 0.54 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 2dkw n PRO 114 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dkw n GLU 115 N -0.96 1.93 0.12 0.54 1.02 -1.26 -4.43 120.64 117.59 2dkw n GLU 115 Ca 0.11 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.02 2dkw n GLU 115 Cb 0.05 -1.29 -0.16 0.00 -0.02 0.00 0.00 31.44 30.02 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dkw h PHE 116 N 0.00 0.85 -0.54 -0.32 3.57 -1.89 -3.29 116.94 115.31 2dkw h PHE 116 Ca -0.31 -0.62 0.07 0.00 3.53 0.00 0.00 57.97 60.64 2dkw h PHE 116 Cb 1.67 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.35 2dkw h PHE 116 CO 0.00 1.49 0.36 -0.97 -2.23 0.00 0.00 178.31 176.96 2dkw h ASN 117 N -0.02 0.39 0.95 0.41 -1.24 -1.69 0.15 115.58 114.54 2dkw h ASN 117 Ca -0.22 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 2dkw h ASN 117 Cb 2.01 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 40.97 2dkw h ASN 117 CO 0.24 0.25 -0.03 0.11 -1.29 0.00 0.00 177.43 176.71 2dkw h LYS 118 N 0.45 0.00 0.00 6.67 1.57 -1.77 -2.78 116.57 120.70 2dkw h LYS 118 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2dkw h LYS 118 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dkw h LYS 118 CO -0.07 0.03 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.66 2dkw h LEU 119 N 0.00 0.00 -1.61 2.94 3.38 -0.81 -2.54 115.31 116.68 2dkw h LEU 119 Ca -0.00 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.31 2dkw h LEU 119 Cb 0.52 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 2dkw h LEU 119 CO 0.00 0.39 0.80 0.00 0.09 0.00 0.00 178.44 179.73 2dkw h GLU 121 N 0.19 0.00 -0.03 0.00 4.11 -1.63 -3.16 114.58 114.06 2dkw h GLU 121 Ca 0.64 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.97 2dkw h GLU 121 Cb 2.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2dkw h GLU 121 CO -0.21 0.58 -0.47 0.93 0.07 0.00 0.00 179.01 179.92 2dkw h GLU 122 N 0.00 0.07 0.10 1.06 4.39 0.15 -1.49 114.58 118.86 2dkw h GLU 122 Ca -0.05 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.35 2dkw h GLU 122 Cb 1.55 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.20 2dkw h GLU 122 CO 0.08 0.53 -1.17 0.82 -1.16 0.00 0.00 179.01 178.11 2dkw h ILE 123 N 0.06 1.47 -0.27 3.13 2.04 -1.35 -3.17 117.51 119.41 2dkw h ILE 123 Ca 0.00 -2.88 -0.19 0.00 1.00 0.00 0.00 64.86 62.79 2dkw h ILE 123 Cb 0.85 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 2dkw h ILE 123 CO 0.06 0.85 -0.56 0.50 0.00 0.00 0.00 178.15 179.00 2dkw h LYS 124 N 0.12 0.86 0.17 2.37 3.11 -1.49 -1.98 116.57 119.73 2dkw h LYS 124 Ca -0.12 -0.56 -0.01 0.00 -2.81 0.00 0.00 60.65 57.15 2dkw h LYS 124 Cb 1.87 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 33.17 2dkw h LYS 124 CO 0.20 1.19 -0.11 1.49 -2.81 0.00 0.00 179.45 179.41 2dkw h GLU 125 N 0.64 -0.25 -0.69 1.90 4.22 -1.36 -3.13 114.58 115.92 2dkw h GLU 125 Ca 0.01 0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.57 2dkw h GLU 125 Cb 1.18 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 2dkw h GLU 125 CO 0.12 -0.17 0.30 0.77 -2.18 0.00 0.00 179.01 177.86 2dkw h SER 126 N -0.26 0.34 0.00 1.04 0.02 -1.67 -3.42 113.55 109.59 2dkw h SER 126 Ca -0.02 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2dkw h SER 126 Cb 0.21 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2dkw h SER 126 CO 0.02 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 2dkw n GLY 127 N -1.30 0.28 3.73 -3.77 0.00 -0.74 -5.04 105.19 98.35 2dkw n GLY 127 Ca 0.11 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 2dkw n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkw s PRO 128 N 0.00 1.55 -0.01 1.61 0.04 -1.25 -4.91 135.00 132.04 2dkw s PRO 128 Ca 0.00 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 61.96 2dkw s PRO 128 Cb 0.00 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 2dkw s PRO 128 CO 0.00 -2.07 -0.01 -1.13 0.04 0.00 0.00 177.00 173.84 2dkw n SER 129 N -3.78 1.68 -4.55 6.66 3.41 -1.26 -4.57 113.62 111.21 2dkw n SER 129 Ca 0.08 0.00 -0.53 0.00 -0.26 0.00 0.00 58.87 58.16 2dkw n SER 129 Cb 0.55 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 2dkw n SER 129 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dkw n SER 130 N -2.81 0.96 0.00 4.04 3.41 -1.26 -5.13 113.62 112.82 2dkw n SER 130 Ca -0.01 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 2dkw n SER 130 Cb 0.51 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2dkw n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49