#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 2.86 -0.53 1.61 0.15 -1.26 -5.09 113.70 111.45 2dkw s SER 2 Ca 0.00 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.21 2dkw s SER 2 Cb 0.00 -0.78 0.15 0.00 -1.71 0.00 0.00 66.02 63.69 2dkw s SER 2 CO 0.00 0.23 0.34 -0.55 1.20 0.00 0.00 173.24 174.46 2dkw s SER 3 N -0.13 3.65 -0.30 5.45 0.15 -1.26 -5.03 113.70 116.24 2dkw s SER 3 Ca -0.03 -3.14 -0.08 0.00 0.70 0.00 0.00 55.95 53.40 2dkw s SER 3 Cb -0.13 -1.17 0.18 0.00 -1.71 0.00 0.00 66.02 63.20 2dkw s SER 3 CO 0.03 -0.19 0.92 -0.83 1.20 0.00 0.00 173.24 174.37 2dkw s GLY 4 N -0.34 -0.76 -0.67 9.45 0.00 -1.26 -5.10 107.32 108.64 2dkw s GLY 4 Ca 0.23 2.18 0.02 0.00 0.00 0.00 0.00 44.72 47.15 2dkw s GLY 4 CO -0.09 3.83 0.47 -0.56 0.00 0.00 0.00 173.10 176.74 2dkw s SER 5 N 2.92 4.96 0.32 1.64 0.01 -1.26 -4.95 113.70 117.34 2dkw s SER 5 Ca 0.13 -3.40 0.06 0.00 1.31 0.00 0.00 55.95 54.05 2dkw s SER 5 Cb -0.08 -1.73 0.88 0.00 0.21 0.00 0.00 66.02 65.30 2dkw s SER 5 CO -0.18 -0.20 1.59 0.77 0.41 0.00 0.00 173.24 175.63 2dkw h SER 6 N 6.13 -0.18 -0.88 2.44 4.64 -2.00 0.23 113.55 123.92 2dkw h SER 6 Ca 0.05 0.26 0.33 0.00 -0.47 0.00 0.00 61.79 61.95 2dkw h SER 6 Cb 0.84 0.39 -0.16 0.00 -0.31 0.00 0.00 62.40 63.16 2dkw h SER 6 CO 0.73 -0.33 0.31 0.61 -0.87 0.00 0.00 176.83 177.29 2dkw n GLY 7 N -1.41 -0.86 0.30 -0.77 0.00 -1.26 -0.51 105.19 100.68 2dkw n GLY 7 Ca 0.26 0.77 -0.12 0.00 0.00 0.00 0.00 46.02 46.93 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 -0.60 -0.99 1.61 2.35 -0.97 -1.98 115.58 115.00 2dkw h ASN 8 Ca 0.67 -0.02 0.32 0.00 -0.55 0.00 0.00 56.30 56.72 2dkw h ASN 8 Cb 1.67 0.15 -0.15 0.00 0.05 0.00 0.00 38.32 40.05 2dkw h ASN 8 CO -0.73 -0.19 0.54 0.74 -1.65 0.00 0.00 177.43 176.14 2dkw h THR 9 N -1.13 0.29 0.37 2.81 2.02 -0.85 -0.60 112.91 115.82 2dkw h THR 9 Ca -0.07 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2dkw h THR 9 Cb 0.59 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2dkw h THR 9 CO 0.12 0.06 -0.18 -0.07 0.37 0.00 0.00 175.52 175.82 2dkw h LEU 10 N 0.31 -0.42 -0.83 2.58 -0.00 -1.14 -2.95 115.31 112.86 2dkw h LEU 10 Ca 0.72 -0.14 0.07 0.00 -0.00 0.00 0.00 57.88 58.54 2dkw h LEU 10 Cb 1.65 0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 42.32 2dkw h LEU 10 CO -0.62 -0.01 -0.49 -1.14 -0.00 0.00 0.00 178.44 176.19 2dkw n ARG 11 N -5.15 -0.36 -0.33 1.13 3.00 -0.27 0.12 116.66 114.81 2dkw n ARG 11 Ca -0.09 1.28 0.06 0.00 -0.00 0.00 0.00 57.85 59.10 2dkw n ARG 11 Cb 0.28 -1.88 0.22 0.00 0.00 0.00 0.00 32.46 31.08 2dkw n ARG 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dkw h GLU 12 N 0.00 0.81 -0.80 -0.14 3.07 -1.56 -0.71 114.58 115.25 2dkw h GLU 12 Ca 0.13 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 2dkw h GLU 12 Cb 0.34 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 2dkw h GLU 12 CO -0.78 0.53 0.31 1.25 -1.40 0.00 0.00 179.01 178.93 2dkw h LEU 13 N 0.83 1.10 0.53 1.33 5.85 0.12 -2.02 115.31 123.05 2dkw h LEU 13 Ca 0.47 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2dkw h LEU 13 Cb 0.53 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2dkw h LEU 13 CO -0.29 0.97 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.33 2dkw h ARG 14 N 1.16 -0.82 -0.52 1.25 2.43 0.11 -1.38 114.38 116.62 2dkw h ARG 14 Ca 0.26 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.59 2dkw h ARG 14 Cb 0.22 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.87 2dkw h ARG 14 CO -0.02 -0.55 0.01 -0.07 -1.51 0.00 0.00 179.97 177.83 2dkw h LEU 15 N -0.85 -0.21 0.00 3.80 3.38 -1.46 0.04 115.31 120.01 2dkw h LEU 15 Ca -0.07 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2dkw h LEU 15 Cb 0.69 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2dkw h LEU 15 CO 0.05 -0.07 0.00 0.33 0.09 0.00 0.00 178.44 178.84 2dkw n PHE 16 N -5.23 0.00 -0.11 1.13 7.35 -0.76 -0.51 117.46 119.32 2dkw n PHE 16 Ca 0.06 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.65 2dkw n PHE 16 Cb 0.28 -0.26 -0.07 0.00 0.35 0.00 0.00 39.48 39.78 2dkw n PHE 16 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dkw h LEU 17 N 0.00 -1.41 -0.22 -2.13 3.38 -1.17 -2.56 115.31 111.20 2dkw h LEU 17 Ca 0.00 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2dkw h LEU 17 Cb 0.00 0.58 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2dkw h LEU 17 CO 0.00 -0.30 -0.14 -0.09 0.09 0.00 0.00 178.44 178.00 2dkw h ARG 18 N -0.28 -0.01 -0.81 1.13 2.43 -0.98 0.43 114.38 116.28 2dkw h ARG 18 Ca 0.06 0.00 0.34 0.00 -0.81 0.00 0.00 59.98 59.57 2dkw h ARG 18 Cb 0.44 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.85 2dkw h ARG 18 CO -0.46 -0.01 0.44 -3.47 -1.51 0.00 0.00 179.97 174.97 2dkw n ASP 19 N -3.52 0.28 0.00 -3.80 -0.08 0.33 -0.28 116.55 109.48 2dkw n ASP 19 Ca 0.00 1.33 0.00 0.00 -1.51 0.00 0.00 54.79 54.61 2dkw n ASP 19 Cb 0.07 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 42.88 2dkw n ASP 19 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2dkw n VAL 20 N -4.81 0.00 -0.34 5.18 0.31 0.15 -2.47 118.33 116.35 2dkw n VAL 20 Ca 0.31 1.45 0.08 0.00 -0.01 0.00 0.00 64.34 66.16 2dkw n VAL 20 Cb 1.05 -2.42 0.24 0.00 -0.91 0.00 0.00 33.84 31.80 2dkw n VAL 20 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2dkw h THR 21 N 0.00 0.85 -0.81 2.52 2.02 -0.80 -1.59 112.91 115.10 2dkw h THR 21 Ca 0.00 -0.29 0.19 0.00 0.77 0.00 0.00 66.41 67.08 2dkw h THR 21 Cb 0.00 -0.09 -0.14 0.00 -1.74 0.00 0.00 68.15 66.18 2dkw h THR 21 CO 0.00 0.16 0.07 0.50 0.37 0.00 0.00 175.52 176.62 2dkw h LYS 22 N 0.86 0.13 -0.51 6.66 3.64 -0.60 0.46 116.57 127.20 2dkw h LYS 22 Ca 0.49 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.79 2dkw h LYS 22 Cb 0.57 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2dkw h LYS 22 CO -0.30 0.08 0.03 -0.09 -2.27 0.00 0.00 179.45 176.90 2dkw h ARG 23 N 0.13 0.84 0.65 1.90 2.43 -0.96 -2.20 114.38 117.16 2dkw h ARG 23 Ca 0.46 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2dkw h ARG 23 Cb 0.86 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2dkw h ARG 23 CO -0.68 0.83 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.23 2dkw h LEU 24 N 0.79 -0.74 -0.87 3.80 3.38 -0.09 -0.71 115.31 120.87 2dkw h LEU 24 Ca 0.16 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.36 2dkw h LEU 24 Cb 0.44 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 2dkw h LEU 24 CO 0.02 -0.40 0.36 0.00 0.09 0.00 0.00 178.44 178.50 2dkw h ALA 25 N -1.35 1.34 -0.60 1.53 0.00 -0.84 0.86 119.26 120.20 2dkw h ALA 25 Ca -0.09 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2dkw h ALA 25 Cb 0.67 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2dkw h ALA 25 CO 0.15 -0.32 0.03 1.79 0.00 0.00 0.00 179.25 180.89 2dkw h THR 26 N 0.40 1.26 -2.43 0.00 1.35 -1.38 -3.39 112.91 108.72 2dkw h THR 26 Ca 0.53 -1.10 -0.58 0.00 -0.55 0.00 0.00 66.41 64.71 2dkw h THR 26 Cb 0.97 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 2dkw h THR 26 CO -0.51 0.40 1.33 -0.62 -0.25 0.00 0.00 175.52 175.86 2dkw s ASP 27 N -6.49 5.85 0.49 5.36 2.15 0.30 -4.83 116.67 119.50 2dkw s ASP 27 Ca -0.12 1.65 0.38 0.00 0.43 0.00 0.00 52.55 54.89 2dkw s ASP 27 Cb 0.13 -2.52 1.55 0.00 -0.30 0.00 0.00 42.92 41.78 2dkw s ASP 27 CO 0.85 -1.69 1.63 0.50 -0.17 0.00 0.00 175.17 176.29 2dkw h LYS 28 N 13.18 0.05 -0.80 4.34 3.11 -1.81 0.88 116.57 135.51 2dkw h LYS 28 Ca -0.37 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.52 2dkw h LYS 28 Cb 1.20 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 32.36 2dkw h LYS 28 CO 0.99 0.03 0.49 0.00 -2.81 0.00 0.00 179.45 178.16 2dkw h ARG 29 N 0.05 0.89 -1.26 1.90 2.47 -1.88 -2.59 114.38 113.96 2dkw h ARG 29 Ca 0.83 -0.05 -0.64 0.00 -1.26 0.00 0.00 59.98 58.85 2dkw h ARG 29 Cb 2.95 -0.20 -0.36 0.00 -1.65 0.00 0.00 29.97 30.71 2dkw h ARG 29 CO -0.22 0.59 0.04 1.19 0.56 0.00 0.00 179.97 182.13 2dkw n PHE 30 N -4.65 3.08 -0.11 3.04 3.72 0.30 -4.59 117.46 118.26 2dkw n PHE 30 Ca 0.11 -2.67 -0.18 0.00 -0.05 0.00 0.00 57.45 54.66 2dkw n PHE 30 Cb 0.15 -0.75 -0.09 0.00 -0.94 0.00 0.00 39.48 37.86 2dkw n PHE 30 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2dkw n ASN 31 N -0.67 2.04 0.33 4.37 4.13 -0.98 -3.82 115.26 120.66 2dkw n ASN 31 Ca 0.50 0.05 0.12 0.00 1.68 0.00 0.00 54.58 56.93 2dkw n ASN 31 Cb 0.66 -0.46 0.64 0.00 -1.54 0.00 0.00 39.78 39.08 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 2dkw h ILE 32 N -0.34 0.00 0.18 2.41 3.07 -1.81 0.43 117.51 121.45 2dkw h ILE 32 Ca -0.50 0.00 -0.33 0.00 1.55 0.00 0.00 64.86 65.58 2dkw h ILE 32 Cb 1.62 0.52 0.01 0.00 -0.27 0.00 0.00 36.82 38.70 2dkw h ILE 32 CO -0.19 0.00 -1.56 -0.26 -1.05 0.00 0.00 178.15 175.10 2dkw h PHE 33 N 0.00 0.69 -1.21 0.16 -1.00 -1.90 -3.31 116.94 110.37 2dkw h PHE 33 Ca 0.00 -0.50 0.35 0.00 2.81 0.00 0.00 57.97 60.63 2dkw h PHE 33 Cb 0.96 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 40.45 2dkw h PHE 33 CO 0.00 1.51 1.06 1.03 -1.61 0.00 0.00 178.31 180.31 2dkw h SER 34 N 0.10 0.00 -2.33 2.17 0.87 -0.32 -3.40 113.55 110.64 2dkw h SER 34 Ca -0.27 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.74 2dkw h SER 34 Cb 2.08 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.95 2dkw h SER 34 CO 0.20 0.00 -0.63 -0.54 -0.53 0.00 0.00 176.83 175.34 2dkw s LYS 35 N -4.69 2.43 -0.61 2.24 1.02 -1.24 -4.31 119.74 114.58 2dkw s LYS 35 Ca -0.04 -1.29 -0.26 0.00 0.02 0.00 0.00 55.97 54.40 2dkw s LYS 35 Cb 0.20 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 2dkw s LYS 35 CO 0.67 0.39 1.86 -1.25 -0.92 0.00 0.00 175.35 176.10 2dkw s PRO 36 N -3.56 2.62 -0.19 -1.68 0.04 -1.26 -4.85 135.00 126.12 2dkw s PRO 36 Ca 0.31 0.61 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 2dkw s PRO 36 Cb -0.07 -4.39 0.14 0.00 0.04 0.00 0.00 34.50 30.22 2dkw s PRO 36 CO 0.21 -2.74 1.94 1.33 0.04 0.00 0.00 177.00 177.78 2dkw n VAL 37 N 7.21 2.41 -3.99 -0.36 0.24 -1.26 -4.89 118.33 117.69 2dkw n VAL 37 Ca 0.20 -1.16 -0.21 0.00 -2.04 0.00 0.00 64.34 61.13 2dkw n VAL 37 Cb 0.52 -1.34 -0.03 0.00 -1.47 0.00 0.00 33.84 31.51 2dkw n VAL 37 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dkw s SER 38 N 0.80 5.68 -0.14 -1.34 0.15 -1.26 -4.56 113.70 113.02 2dkw s SER 38 Ca 0.19 -0.22 -0.29 0.00 0.70 0.00 0.00 55.95 56.33 2dkw s SER 38 Cb 0.15 -1.41 -0.26 0.00 -1.71 0.00 0.00 66.02 62.80 2dkw s SER 38 CO 0.00 -0.13 0.75 -0.78 1.20 0.00 0.00 173.24 174.29 2dkw h ASP 39 N 1.34 0.00 -4.22 5.45 3.58 -1.90 -3.48 116.42 117.19 2dkw h ASP 39 Ca -0.48 -0.98 -0.31 0.00 0.42 0.00 0.00 57.03 55.67 2dkw h ASP 39 Cb 1.24 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.24 2dkw h ASP 39 CO 0.60 1.01 -0.20 0.00 -2.88 0.00 0.00 179.24 177.76 2dkw n TYR 40 N -4.61 0.05 -0.07 0.28 9.36 -1.26 -5.09 117.16 115.83 2dkw n TYR 40 Ca -0.10 -1.21 -0.10 0.00 3.32 0.00 0.00 57.90 59.80 2dkw n TYR 40 Cb 0.48 -0.18 -0.06 0.00 -0.63 0.00 0.00 39.34 38.95 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 2.60 0.08 2.98 -0.00 -1.26 -4.63 117.00 116.78 2dkw n LEU 41 Ca -0.07 -0.02 -0.07 0.00 -0.00 0.00 0.00 56.01 55.85 2dkw n LEU 41 Cb 0.32 -0.46 -0.03 0.00 -0.00 0.00 0.00 43.42 43.24 2dkw n LEU 41 CO 0.17 0.64 0.23 -0.33 -0.00 0.00 0.00 177.39 178.10 2dkw h GLU 42 N -0.10 0.06 -0.77 1.47 5.08 -2.01 -3.22 114.58 115.09 2dkw h GLU 42 Ca -0.31 -0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.14 2dkw h GLU 42 Cb 1.43 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 2dkw h GLU 42 CO -0.08 0.92 0.52 0.28 -1.00 0.00 0.00 179.01 179.65 2dkw h VAL 43 N 0.03 0.74 -3.71 3.13 2.07 -2.00 -3.40 116.25 113.11 2dkw h VAL 43 Ca -0.02 -0.11 -0.50 0.00 0.82 0.00 0.00 66.70 66.89 2dkw h VAL 43 Cb 1.58 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2dkw h VAL 43 CO 0.12 0.06 0.30 -0.63 0.02 0.00 0.00 177.57 177.45 2dkw s ILE 44 N -5.33 4.17 -0.12 4.57 1.01 -1.22 -5.00 121.20 119.28 2dkw s ILE 44 Ca -0.07 1.94 -0.06 0.00 0.00 0.00 0.00 60.65 62.46 2dkw s ILE 44 Cb 0.21 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 2dkw s ILE 44 CO 0.77 0.45 -0.11 0.11 0.00 0.00 0.00 174.94 176.16 2dkw h LYS 45 N 4.05 0.00 -2.99 2.79 1.57 -1.88 -3.44 116.57 116.67 2dkw h LYS 45 Ca -0.46 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.71 2dkw h LYS 45 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.10 2dkw h LYS 45 CO 0.67 0.00 -0.64 -1.21 -0.57 0.00 0.00 179.45 177.71 2dkw s GLU 46 N -1.97 2.20 0.46 3.15 0.41 -1.26 -5.10 118.70 116.59 2dkw s GLU 46 Ca -0.09 -3.12 -0.23 0.00 -0.41 0.00 0.00 54.97 51.12 2dkw s GLU 46 Cb 0.01 -3.11 -0.07 0.00 -1.78 0.00 0.00 34.13 29.18 2dkw s GLU 46 CO 0.13 -1.29 1.16 -1.25 -0.49 0.00 0.00 175.26 173.52 2dkw s PRO 47 N -1.17 3.76 -0.04 0.39 0.04 -1.26 -4.98 135.00 131.73 2dkw s PRO 47 Ca 0.26 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 2dkw s PRO 47 Cb -0.04 -2.40 0.09 0.00 0.04 0.00 0.00 34.50 32.18 2dkw s PRO 47 CO -0.16 -0.55 0.78 1.41 0.04 0.00 0.00 177.00 178.52 2dkw s MET 48 N -2.70 0.94 0.06 4.56 1.75 -1.26 -5.15 119.30 117.49 2dkw s MET 48 Ca 0.64 0.04 -0.07 0.00 -1.25 0.00 0.00 55.69 55.04 2dkw s MET 48 Cb -0.28 0.44 -0.01 0.00 2.84 0.00 0.00 34.83 37.81 2dkw s MET 48 CO 0.35 -0.33 0.13 0.16 -0.65 0.00 0.00 175.02 174.68 2dkw s ASP 49 N -1.59 0.17 0.66 1.11 1.47 -1.26 -4.81 116.67 112.42 2dkw s ASP 49 Ca -0.04 -0.61 0.20 0.00 1.18 0.00 0.00 52.55 53.28 2dkw s ASP 49 Cb -0.00 0.28 1.07 0.00 -0.34 0.00 0.00 42.92 43.92 2dkw s ASP 49 CO 0.01 -0.61 1.60 -0.07 0.68 0.00 0.00 175.17 176.78 2dkw h LEU 50 N 3.22 0.00 0.68 2.11 3.38 -1.78 -0.74 115.31 122.18 2dkw h LEU 50 Ca -0.33 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 2dkw h LEU 50 Cb 1.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2dkw h LEU 50 CO 0.54 0.00 -0.33 0.28 0.09 0.00 0.00 178.44 179.03 2dkw h SER 51 N 0.00 -0.77 0.14 -0.43 0.02 -1.93 -0.36 113.55 110.21 2dkw h SER 51 Ca 0.04 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2dkw h SER 51 Cb 1.23 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2dkw h SER 51 CO -0.00 -0.47 0.00 0.00 -1.14 0.00 0.00 176.83 175.22 2dkw h THR 52 N -1.04 0.00 0.00 -2.27 1.03 -1.53 -2.50 112.91 106.59 2dkw h THR 52 Ca -0.09 -0.05 -0.05 0.00 -0.01 0.00 0.00 66.41 66.21 2dkw h THR 52 Cb 0.73 0.74 -0.01 0.00 -1.07 0.00 0.00 68.15 68.55 2dkw h THR 52 CO 0.15 0.00 -0.27 0.58 -0.01 0.00 0.00 175.52 175.97 2dkw h VAL 53 N 0.00 1.26 -0.55 0.00 2.07 -1.35 -2.75 116.25 114.93 2dkw h VAL 53 Ca 0.00 -2.04 0.07 0.00 0.82 0.00 0.00 66.70 65.55 2dkw h VAL 53 Cb 0.07 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 2dkw h VAL 53 CO 0.00 0.43 0.37 0.40 0.02 0.00 0.00 177.57 178.78 2dkw h ILE 54 N -1.00 0.96 0.21 4.57 2.04 -0.73 -2.77 117.51 120.79 2dkw h ILE 54 Ca -0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2dkw h ILE 54 Cb 0.88 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2dkw h ILE 54 CO -0.04 0.08 -0.10 0.74 0.00 0.00 0.00 178.15 178.83 2dkw h THR 55 N 0.46 0.00 -0.76 -0.27 2.02 -1.59 -3.26 112.91 109.51 2dkw h THR 55 Ca 0.24 -0.49 0.17 0.00 0.77 0.00 0.00 66.41 67.10 2dkw h THR 55 Cb 0.37 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.63 2dkw h THR 55 CO -0.07 0.00 -0.13 0.29 0.37 0.00 0.00 175.52 175.99 2dkw n LYS 56 N -4.13 -0.07 -0.15 6.66 5.02 -1.04 0.16 118.16 124.61 2dkw n LYS 56 Ca -0.04 1.18 -0.02 0.00 -2.02 0.00 0.00 58.31 57.41 2dkw n LYS 56 Cb 0.11 -1.79 0.06 0.00 -0.02 0.00 0.00 35.03 33.39 2dkw n LYS 56 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2dkw h ILE 57 N 0.00 0.66 0.00 -0.18 2.04 -1.60 0.12 117.51 118.56 2dkw h ILE 57 Ca 0.40 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 66.17 2dkw h ILE 57 Cb 0.68 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2dkw h ILE 57 CO -0.77 0.03 -0.16 -0.78 0.00 0.00 0.00 178.15 176.47 2dkw h ASP 58 N 0.16 0.00 -0.53 1.72 1.82 0.15 -2.50 116.42 117.24 2dkw h ASP 58 Ca 0.24 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.63 2dkw h ASP 58 Cb 0.35 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 40.21 2dkw h ASP 58 CO -0.37 0.16 0.32 0.29 -1.61 0.00 0.00 179.24 178.03 2dkw n LYS 59 N -3.52 1.89 -3.83 0.28 4.76 0.37 -4.88 118.16 113.23 2dkw n LYS 59 Ca -0.01 -1.70 -0.24 0.00 -2.87 0.00 0.00 58.31 53.49 2dkw n LYS 59 Cb 0.32 -1.70 -0.07 0.00 -1.84 0.00 0.00 35.03 31.74 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 -0.33 -0.92 -0.09 2.13 8.25 -0.94 -4.81 115.22 118.52 2dkw n HIS 60 Ca 0.31 0.46 -0.15 0.00 -0.26 0.00 0.00 57.72 58.08 2dkw n HIS 60 Cb 1.11 -1.96 -0.09 0.00 1.12 0.00 0.00 29.99 30.17 2dkw n HIS 60 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2dkw h ASN 61 N -1.00 0.00 -2.91 0.41 -0.73 -1.61 -3.44 115.58 106.30 2dkw h ASN 61 Ca -0.48 -0.44 -0.55 0.00 1.87 0.00 0.00 56.30 56.70 2dkw h ASN 61 Cb 1.03 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.55 2dkw h ASN 61 CO 0.55 1.16 1.04 -0.31 -0.37 0.00 0.00 177.43 179.49 2dkw s TYR 62 N -2.24 2.43 0.38 0.67 2.02 -1.26 -4.87 117.35 114.48 2dkw s TYR 62 Ca -0.22 0.35 0.08 0.00 -0.37 0.00 0.00 57.07 56.92 2dkw s TYR 62 Cb 0.03 -4.49 0.75 0.00 -0.40 0.00 0.00 41.96 37.85 2dkw s TYR 62 CO 0.48 -1.81 1.91 -0.07 -1.57 0.00 0.00 175.55 174.50 2dkw h LEU 63 N 12.55 0.28 0.00 -1.29 -0.00 -1.90 -3.45 115.31 121.50 2dkw h LEU 63 Ca -0.26 -0.05 -0.49 0.00 -0.00 0.00 0.00 57.88 57.08 2dkw h LEU 63 Cb 1.07 -0.07 -0.10 0.00 -0.00 0.00 0.00 40.66 41.55 2dkw h LEU 63 CO 1.20 0.41 -0.38 0.35 -0.00 0.00 0.00 178.44 180.03 2dkw n THR 64 N -4.29 0.00 0.05 0.22 -2.24 -1.26 -4.46 114.28 102.31 2dkw n THR 64 Ca -0.00 -1.91 -0.03 0.00 -2.27 0.00 0.00 64.05 59.84 2dkw n THR 64 Cb 0.25 0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 68.95 2dkw n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dkw h ALA 65 N 1.38 0.63 -0.19 6.98 0.00 -1.96 -3.36 119.26 122.74 2dkw h ALA 65 Ca -0.29 -0.91 0.01 0.00 0.00 0.00 0.00 54.91 53.72 2dkw h ALA 65 Cb 1.00 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2dkw h ALA 65 CO 0.48 1.06 0.09 -0.22 0.00 0.00 0.00 179.25 180.66 2dkw h LYS 66 N 0.00 0.19 -0.52 0.00 1.63 -1.98 -2.39 116.57 113.49 2dkw h LYS 66 Ca -0.13 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.75 2dkw h LYS 66 Cb 1.67 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 33.18 2dkw h LYS 66 CO 0.07 0.13 0.13 -0.44 -3.45 0.00 0.00 179.45 175.89 2dkw h ASP 67 N 0.20 0.06 0.49 4.20 5.19 -1.98 -2.40 116.42 122.18 2dkw h ASP 67 Ca 0.08 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2dkw h ASP 67 Cb 0.02 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 2dkw h ASP 67 CO -0.06 0.06 -0.49 0.15 -3.12 0.00 0.00 179.24 175.78 2dkw h PHE 68 N 0.28 -1.36 -0.76 4.55 3.04 -1.62 -2.84 116.94 118.22 2dkw h PHE 68 Ca 0.26 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.35 2dkw h PHE 68 Cb 0.34 0.53 -0.13 0.00 2.56 0.00 0.00 35.95 39.25 2dkw h PHE 68 CO -0.21 -0.66 -0.37 -0.07 -2.02 0.00 0.00 178.31 174.99 2dkw h LEU 69 N -0.98 -1.30 -0.83 0.59 3.38 -1.13 0.24 115.31 115.27 2dkw h LEU 69 Ca -0.06 0.26 0.29 0.00 0.09 0.00 0.00 57.88 58.46 2dkw h LEU 69 Cb 0.86 0.66 -0.15 0.00 0.09 0.00 0.00 40.66 42.11 2dkw h LEU 69 CO -0.07 -0.30 0.22 0.29 0.09 0.00 0.00 178.44 178.67 2dkw n LYS 70 N -5.45 -0.06 -0.11 1.13 5.02 -0.93 0.18 118.16 117.95 2dkw n LYS 70 Ca 0.06 1.21 -0.10 0.00 -2.02 0.00 0.00 58.31 57.46 2dkw n LYS 70 Cb 0.37 -2.03 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 2dkw n LYS 70 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dkw h ASP 71 N 0.00 0.45 -0.67 4.39 3.32 -0.52 -2.35 116.42 121.03 2dkw h ASP 71 Ca 0.60 -0.17 0.13 0.00 0.02 0.00 0.00 57.03 57.60 2dkw h ASP 71 Cb 1.43 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 2dkw h ASP 71 CO -0.72 0.50 0.45 0.40 -1.72 0.00 0.00 179.24 178.16 2dkw h ILE 72 N 0.37 0.84 -0.09 0.35 1.08 0.20 -0.10 117.51 120.16 2dkw h ILE 72 Ca 0.11 -0.14 -0.19 0.00 -0.39 0.00 0.00 64.86 64.25 2dkw h ILE 72 Cb 0.20 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 2dkw h ILE 72 CO -0.01 0.07 -0.73 -0.78 -0.69 0.00 0.00 178.15 176.01 2dkw h ASP 73 N 0.39 0.56 0.74 1.72 1.82 -0.97 -2.95 116.42 117.74 2dkw h ASP 73 Ca 0.32 -0.37 -0.05 0.00 -0.39 0.00 0.00 57.03 56.54 2dkw h ASP 73 Cb 0.72 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 2dkw h ASP 73 CO -0.09 1.11 -0.26 0.25 -1.61 0.00 0.00 179.24 178.64 2dkw h LEU 74 N 0.32 0.00 0.07 2.28 5.85 -0.54 -2.67 115.31 120.62 2dkw h LEU 74 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2dkw h LEU 74 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2dkw h LEU 74 CO 0.13 0.26 -0.03 0.40 -0.34 0.00 0.00 178.44 178.85 2dkw h ILE 75 N 0.00 1.20 -0.80 4.05 2.04 -1.18 -1.33 117.51 121.49 2dkw h ILE 75 Ca -0.00 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.48 2dkw h ILE 75 Cb 0.70 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 2dkw h ILE 75 CO 0.03 0.33 0.53 0.00 0.00 0.00 0.00 178.15 179.04 2dkw h SER 77 N 0.93 -0.41 -0.94 0.00 0.87 -1.54 -3.15 113.55 109.31 2dkw h SER 77 Ca 0.33 0.01 0.27 0.00 -1.23 0.00 0.00 61.79 61.18 2dkw h SER 77 Cb 0.14 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 2dkw h SER 77 CO -0.11 -0.05 1.15 0.78 -0.53 0.00 0.00 176.83 178.08 2dkw h ASN 78 N -0.99 0.00 -0.15 6.23 4.21 -1.16 1.22 115.58 124.94 2dkw h ASN 78 Ca -0.05 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.36 2dkw h ASN 78 Cb 0.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 2dkw h ASN 78 CO 0.08 0.00 -0.29 0.00 -1.29 0.00 0.00 177.43 175.93 2dkw h ALA 79 N 0.58 0.24 -0.00 -0.83 0.00 -1.45 -3.21 119.26 114.59 2dkw h ALA 79 Ca 0.45 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2dkw h ALA 79 Cb 2.75 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 20.51 2dkw h ALA 79 CO -0.00 0.25 -0.36 -0.07 0.00 0.00 0.00 179.25 179.06 2dkw h LEU 80 N 0.08 0.32 -0.98 0.00 3.38 0.14 -3.30 115.31 114.96 2dkw h LEU 80 Ca 0.01 -0.77 0.28 0.00 0.09 0.00 0.00 57.88 57.48 2dkw h LEU 80 Cb 0.88 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.35 2dkw h LEU 80 CO 0.07 1.05 0.08 -0.33 0.09 0.00 0.00 178.44 179.40 2dkw h GLU 81 N -0.38 0.02 -3.63 1.13 4.39 -1.28 -3.30 114.58 111.54 2dkw h GLU 81 Ca -0.05 -0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.10 2dkw h GLU 81 Cb 1.11 -0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.36 2dkw h GLU 81 CO 0.07 0.01 -0.76 0.71 -1.16 0.00 0.00 179.01 177.88 2dkw s TYR 82 N -5.97 1.42 -0.24 4.33 2.02 -1.21 -5.10 117.35 112.61 2dkw s TYR 82 Ca -0.13 -1.29 -0.08 0.00 -0.37 0.00 0.00 57.07 55.21 2dkw s TYR 82 Cb 0.29 -1.34 0.11 0.00 -0.40 0.00 0.00 41.96 40.62 2dkw s TYR 82 CO 0.78 -0.73 0.51 1.21 -1.57 0.00 0.00 175.55 175.74 2dkw s ASN 83 N 1.72 -0.59 -0.42 2.29 3.84 -1.25 -4.33 114.94 116.20 2dkw s ASN 83 Ca 0.02 1.21 -0.28 0.00 0.21 0.00 0.00 52.86 54.03 2dkw s ASN 83 Cb -0.17 1.71 -0.01 0.00 -0.55 0.00 0.00 41.25 42.22 2dkw s ASN 83 CO -0.15 -0.23 1.74 -2.16 -2.79 0.00 0.00 177.10 173.52 2dkw s PRO 84 N 2.72 3.19 -1.54 0.43 0.04 -1.26 -4.90 135.00 133.68 2dkw s PRO 84 Ca -0.03 1.11 -0.10 0.00 0.04 0.00 0.00 61.00 62.01 2dkw s PRO 84 Cb -0.12 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.18 2dkw s PRO 84 CO -0.15 -2.04 2.68 -0.25 0.04 0.00 0.00 177.00 177.28 2dkw n ASP 85 N 10.68 7.43 -0.09 6.66 9.92 -1.26 -4.28 116.55 145.60 2dkw n ASP 85 Ca 0.21 -2.73 -0.13 0.00 -0.53 0.00 0.00 54.79 51.61 2dkw n ASP 85 Cb 0.48 -1.55 -0.09 0.00 -0.64 0.00 0.00 41.12 39.33 2dkw n ASP 85 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2dkw n LYS 86 N 3.92 0.47 -3.43 -1.24 0.00 -1.26 -4.98 118.16 111.63 2dkw n LYS 86 Ca 0.69 0.11 -0.38 0.00 0.00 0.00 0.00 58.31 58.73 2dkw n LYS 86 Cb 0.27 -1.36 -0.06 0.00 0.00 0.00 0.00 35.03 33.88 2dkw n LYS 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2dkw s ASP 87 N -5.87 6.88 0.30 3.14 2.15 -1.26 -4.97 116.67 117.04 2dkw s ASP 87 Ca -0.25 1.05 0.25 0.00 0.43 0.00 0.00 52.55 54.03 2dkw s ASP 87 Cb 0.07 -2.28 1.04 0.00 -0.30 0.00 0.00 42.92 41.45 2dkw s ASP 87 CO 0.43 0.31 1.75 1.55 -0.17 0.00 0.00 175.17 179.03 2dkw h PRO 88 N 4.68 0.00 -0.33 4.34 0.13 -1.97 -2.79 132.00 136.05 2dkw h PRO 88 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2dkw h PRO 88 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dkw h PRO 88 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2dkw n GLY 89 N -0.02 0.15 0.08 1.56 0.00 -1.26 -3.55 105.19 102.15 2dkw n GLY 89 Ca 0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2dkw n GLY 89 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dkw h ASP 90 N 0.75 0.02 -0.26 1.61 1.82 -1.89 -3.32 116.42 115.15 2dkw h ASP 90 Ca 0.00 -0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.68 2dkw h ASP 90 Cb 0.32 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 2dkw h ASP 90 CO 0.02 1.03 0.45 0.07 -1.61 0.00 0.00 179.24 179.20 2dkw h LYS 91 N 0.00 0.00 0.18 0.28 2.10 -1.81 0.66 116.57 117.98 2dkw h LYS 91 Ca -0.19 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.19 2dkw h LYS 91 Cb 1.93 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.28 2dkw h LYS 91 CO 0.10 0.00 -1.26 0.82 -2.00 0.00 0.00 179.45 177.11 2dkw h ILE 92 N 0.00 1.27 0.00 0.07 5.03 -1.84 -3.24 117.51 118.80 2dkw h ILE 92 Ca 0.12 -2.55 0.00 0.00 -0.12 0.00 0.00 64.86 62.31 2dkw h ILE 92 Cb 1.02 3.00 0.00 0.00 -3.03 0.00 0.00 36.82 37.81 2dkw h ILE 92 CO -0.00 0.76 0.00 -0.38 -0.68 0.00 0.00 178.15 177.85 2dkw n ILE 93 N -3.90 0.00 -0.32 -0.67 5.41 0.22 -1.05 119.36 119.05 2dkw n ILE 93 Ca -0.19 1.35 0.19 0.00 1.00 0.00 0.00 62.75 65.10 2dkw n ILE 93 Cb 0.96 -1.95 0.45 0.00 -0.71 0.00 0.00 39.64 38.38 2dkw n ILE 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2dkw h ARG 94 N 0.00 0.49 -1.00 0.38 0.11 -1.75 0.14 114.38 112.75 2dkw h ARG 94 Ca 0.00 -0.03 0.21 0.00 0.10 0.00 0.00 59.98 60.26 2dkw h ARG 94 Cb 0.00 -0.11 -0.11 0.00 1.11 0.00 0.00 29.97 30.86 2dkw h ARG 94 CO 0.00 0.33 0.61 1.25 0.10 0.00 0.00 179.97 182.26 2dkw h HIS 95 N 0.51 0.98 -0.05 4.08 2.76 -1.11 -0.70 115.15 121.62 2dkw h HIS 95 Ca 0.58 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.60 2dkw h HIS 95 Cb 1.27 -0.29 0.01 0.00 1.55 0.00 0.00 27.41 29.95 2dkw h HIS 95 CO -0.00 0.17 -0.64 0.00 -1.30 0.00 0.00 177.93 176.15 2dkw h ARG 96 N 0.66 0.52 -1.00 5.26 -0.00 0.09 -3.30 114.38 116.61 2dkw h ARG 96 Ca 0.59 -0.50 0.20 0.00 -0.50 0.00 0.00 59.98 59.78 2dkw h ARG 96 Cb 1.06 0.13 -0.19 0.00 0.00 0.00 0.00 29.97 30.97 2dkw h ARG 96 CO -0.38 1.13 -0.24 0.00 0.00 0.00 0.00 179.97 180.47 2dkw h ALA 97 N 0.40 0.67 -1.00 0.04 0.00 -0.87 1.14 119.26 119.65 2dkw h ALA 97 Ca -0.07 0.39 0.05 0.00 0.00 0.00 0.00 54.91 55.28 2dkw h ALA 97 Cb 1.32 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.80 2dkw h ALA 97 CO 0.13 -0.38 0.65 0.00 0.00 0.00 0.00 179.25 179.64 2dkw h THR 99 N 1.22 0.00 -0.82 0.00 2.02 0.10 -3.10 112.91 112.34 2dkw h THR 99 Ca 0.41 -0.44 0.34 0.00 0.77 0.00 0.00 66.41 67.48 2dkw h THR 99 Cb 0.06 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.33 2dkw h THR 99 CO -0.14 0.00 0.43 -0.11 0.37 0.00 0.00 175.52 176.07 2dkw n LEU 100 N -4.11 0.28 0.31 2.58 7.94 0.11 0.61 117.00 124.70 2dkw n LEU 100 Ca -0.04 1.35 -0.16 0.00 -1.11 0.00 0.00 56.01 56.06 2dkw n LEU 100 Cb 0.13 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.34 2dkw n LEU 100 CO 0.10 -1.51 0.54 0.50 -1.11 0.00 0.00 177.39 175.90 2dkw h LYS 101 N 0.00 -0.75 0.16 1.96 3.64 -1.52 -1.06 116.57 119.00 2dkw h LYS 101 Ca 0.69 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 60.13 2dkw h LYS 101 Cb 1.81 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.77 2dkw h LYS 101 CO -0.63 -0.45 -0.27 0.22 -2.27 0.00 0.00 179.45 176.05 2dkw h ASP 102 N -0.97 -0.77 0.03 4.20 3.58 0.25 0.20 116.42 122.94 2dkw h ASP 102 Ca -0.08 0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.48 2dkw h ASP 102 Cb 0.66 0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.94 2dkw h ASP 102 CO 0.13 -0.37 -0.49 0.74 -2.88 0.00 0.00 179.24 176.38 2dkw h THR 103 N -0.51 0.06 0.16 2.25 2.02 -1.04 0.85 112.91 116.70 2dkw h THR 103 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.21 2dkw h THR 103 Cb 0.52 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2dkw h THR 103 CO -0.13 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 175.28 2dkw h ALA 104 N -0.28 -0.90 -0.15 6.16 0.00 -1.05 0.17 119.26 123.20 2dkw h ALA 104 Ca 0.02 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2dkw h ALA 104 Cb 0.71 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2dkw h ALA 104 CO -0.32 -1.07 0.12 0.45 0.00 0.00 0.00 179.25 178.43 2dkw h HIS 105 N -0.74 0.00 -0.14 0.00 -0.00 -0.71 -1.82 115.15 111.74 2dkw h HIS 105 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 2dkw h HIS 105 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 2dkw h HIS 105 CO -0.40 0.00 -0.30 0.00 -0.00 0.00 0.00 177.93 177.23 2dkw h ALA 106 N 1.90 0.23 -0.43 2.45 0.00 0.23 -2.38 119.26 121.26 2dkw h ALA 106 Ca 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2dkw h ALA 106 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2dkw h ALA 106 CO -0.00 0.25 0.26 0.82 0.00 0.00 0.00 179.25 180.58 2dkw h ILE 107 N 0.07 1.05 0.37 0.00 2.04 0.10 0.01 117.51 121.15 2dkw h ILE 107 Ca 0.00 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2dkw h ILE 107 Cb 0.90 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2dkw h ILE 107 CO 0.07 0.09 -0.18 0.40 0.00 0.00 0.00 178.15 178.53 2dkw h ILE 108 N 0.52 0.64 -0.68 -0.67 1.08 -1.50 0.11 117.51 117.02 2dkw h ILE 108 Ca 0.17 -0.18 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 2dkw h ILE 108 Cb 0.00 0.73 -0.07 0.00 -3.07 0.00 0.00 36.82 34.42 2dkw h ILE 108 CO -0.08 0.04 0.32 0.00 -0.69 0.00 0.00 178.15 177.74 2dkw h ALA 109 N -0.00 0.92 0.49 1.87 0.00 -1.30 0.89 119.26 122.13 2dkw h ALA 109 Ca -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dkw h ALA 109 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dkw h ALA 109 CO 0.08 -0.07 -0.24 0.00 0.00 0.00 0.00 179.25 179.02 2dkw h ALA 110 N 1.41 -0.91 0.56 0.00 0.00 -0.86 -3.37 119.26 116.10 2dkw h ALA 110 Ca 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2dkw h ALA 110 Cb 0.35 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2dkw h ALA 110 CO -0.27 -0.86 -0.27 0.93 0.00 0.00 0.00 179.25 178.79 2dkw h GLU 111 N -0.85 -0.73 -6.16 0.00 5.08 -0.67 -3.43 114.58 107.82 2dkw h GLU 111 Ca -0.07 0.05 -0.73 0.00 -1.00 0.00 0.00 59.36 57.61 2dkw h GLU 111 Cb 0.51 0.17 0.05 0.00 0.50 0.00 0.00 28.75 29.97 2dkw h GLU 111 CO 0.11 -0.48 0.38 -0.11 -1.00 0.00 0.00 179.01 177.91 2dkw n LEU 112 N -4.09 1.18 -4.87 1.33 7.94 0.31 -4.95 117.00 113.85 2dkw n LEU 112 Ca -0.09 1.13 -0.28 0.00 -1.11 0.00 0.00 56.01 55.66 2dkw n LEU 112 Cb 0.30 -1.09 -0.04 0.00 0.53 0.00 0.00 43.42 43.12 2dkw n LEU 112 CO 0.23 -1.25 -0.16 -1.81 -1.11 0.00 0.00 177.39 173.28 2dkw s ASP 113 N 0.73 5.98 0.00 1.96 1.01 -1.26 -4.73 116.67 120.36 2dkw s ASP 113 Ca 0.89 0.07 0.15 0.00 0.71 0.00 0.00 52.55 54.37 2dkw s ASP 113 Cb -1.09 -1.72 0.85 0.00 1.01 0.00 0.00 42.92 41.97 2dkw s ASP 113 CO 0.53 0.09 1.37 -0.81 0.21 0.00 0.00 175.17 176.57 2dkw n PRO 114 N -0.21 0.36 -0.13 8.23 -0.04 -1.26 -2.39 135.00 139.55 2dkw n PRO 114 Ca -0.07 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.26 2dkw n PRO 114 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2dkw n PRO 114 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dkw n GLU 115 N -1.13 0.65 -0.01 0.54 0.28 -1.26 -4.32 120.64 115.38 2dkw n GLU 115 Ca 0.10 0.16 -0.10 0.00 -0.16 0.00 0.00 57.16 57.15 2dkw n GLU 115 Cb 0.08 -1.52 0.04 0.00 1.43 0.00 0.00 31.44 31.47 2dkw n GLU 115 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2dkw h PHE 116 N -0.09 0.78 -0.90 -1.84 3.57 -1.93 -3.10 116.94 113.44 2dkw h PHE 116 Ca -0.59 -0.27 0.11 0.00 3.53 0.00 0.00 57.97 60.75 2dkw h PHE 116 Cb 1.88 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 40.40 2dkw h PHE 116 CO 0.02 1.02 0.58 -0.97 -2.23 0.00 0.00 178.31 176.73 2dkw h ASN 117 N 0.48 0.78 0.46 0.41 -1.24 -1.70 0.36 115.58 115.13 2dkw h ASN 117 Ca 0.01 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2dkw h ASN 117 Cb 1.09 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.01 2dkw h ASN 117 CO 0.11 0.44 0.00 0.29 -1.29 0.00 0.00 177.43 176.97 2dkw n LYS 118 N -4.55 0.09 -0.07 6.67 5.02 -1.17 -2.59 118.16 121.56 2dkw n LYS 118 Ca 0.16 0.39 -0.06 0.00 -2.02 0.00 0.00 58.31 56.78 2dkw n LYS 118 Cb 0.35 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 2dkw n LYS 118 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dkw n LEU 119 N -1.85 1.66 -0.32 -0.35 4.77 0.12 -3.35 117.00 117.67 2dkw n LEU 119 Ca 0.02 0.45 0.18 0.00 -0.03 0.00 0.00 56.01 56.63 2dkw n LEU 119 Cb 0.15 -0.77 0.38 0.00 -2.33 0.00 0.00 43.42 40.85 2dkw n LEU 119 CO 0.14 -0.39 1.01 0.00 -1.33 0.00 0.00 177.39 176.82 2dkw h GLU 121 N 0.25 0.21 -0.42 0.00 4.11 -1.71 -3.10 114.58 113.91 2dkw h GLU 121 Ca 0.64 -0.18 0.12 0.00 0.07 0.00 0.00 59.36 60.01 2dkw h GLU 121 Cb 1.39 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2dkw h GLU 121 CO -0.65 0.85 0.62 1.49 0.07 0.00 0.00 179.01 181.40 2dkw h GLU 122 N 0.14 0.00 0.00 1.06 4.81 0.44 -1.88 114.58 119.15 2dkw h GLU 122 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2dkw h GLU 122 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2dkw h GLU 122 CO 0.11 0.00 -0.22 0.82 -0.73 0.00 0.00 179.01 178.99 2dkw h ILE 123 N 0.00 0.00 -1.62 2.32 2.04 -1.46 -2.69 117.51 116.10 2dkw h ILE 123 Ca 0.20 -0.96 0.47 0.00 1.00 0.00 0.00 64.86 65.57 2dkw h ILE 123 Cb 1.45 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 2dkw h ILE 123 CO -0.00 0.00 1.28 0.50 0.00 0.00 0.00 178.15 179.92 2dkw h LYS 124 N -0.96 0.00 0.01 2.37 3.64 -1.45 1.86 116.57 122.04 2dkw h LYS 124 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 2dkw h LYS 124 Cb 0.22 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2dkw h LYS 124 CO 0.00 0.00 -1.76 -0.85 -2.27 0.00 0.00 179.45 174.57 2dkw n GLU 125 N -3.81 0.64 0.15 1.90 0.28 -0.91 -4.29 120.64 114.61 2dkw n GLU 125 Ca 0.36 0.28 -0.14 0.00 -0.16 0.00 0.00 57.16 57.50 2dkw n GLU 125 Cb 1.77 -1.77 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 2dkw n GLU 125 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2dkw h SER 126 N 0.01 -0.27 0.00 -1.84 4.64 0.32 -3.49 113.55 112.92 2dkw h SER 126 Ca -0.31 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2dkw h SER 126 Cb 2.03 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 64.19 2dkw h SER 126 CO 0.08 -0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 2dkw n GLY 127 N -1.10 0.81 3.56 -0.77 0.00 -0.71 -5.00 105.19 101.99 2dkw n GLY 127 Ca -0.09 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.28 2.54 -1.04 1.61 0.04 -1.26 -4.88 135.00 131.72 2dkw s PRO 128 Ca 0.00 -0.51 -0.07 0.00 0.04 0.00 0.00 61.00 60.45 2dkw s PRO 128 Cb 0.00 -5.11 0.26 0.00 0.04 0.00 0.00 34.50 29.69 2dkw s PRO 128 CO 0.00 -3.53 1.01 -1.12 0.04 0.00 0.00 177.00 173.39 2dkw s SER 129 N 7.64 6.94 -0.33 6.66 0.01 -1.26 -5.02 113.70 128.34 2dkw s SER 129 Ca 0.70 -3.59 -0.27 0.00 1.31 0.00 0.00 55.95 54.10 2dkw s SER 129 Cb -0.05 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 64.06 2dkw s SER 129 CO 0.03 -0.27 0.98 -0.44 0.41 0.00 0.00 173.24 173.95 2dkw s SER 130 N 0.97 6.81 0.00 2.44 0.01 -1.26 -5.31 113.70 117.35 2dkw s SER 130 Ca 0.29 0.84 0.31 0.00 1.31 0.00 0.00 55.95 58.70 2dkw s SER 130 Cb -0.09 -2.50 1.65 0.00 0.21 0.00 0.00 66.02 65.29 2dkw s SER 130 CO -0.09 -0.83 2.08 0.61 0.41 0.00 0.00 173.24 175.42