#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkw n SER 2 N 0.00 6.01 -3.73 1.61 2.88 -1.26 -4.47 113.62 114.66 2dkw n SER 2 Ca 0.00 -2.81 -0.15 0.00 -1.33 0.00 0.00 58.87 54.57 2dkw n SER 2 Cb 0.00 -1.11 -0.16 0.00 -0.75 0.00 0.00 64.21 62.19 2dkw n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dkw s SER 3 N 0.93 0.24 -1.20 -3.46 0.01 -1.26 -4.90 113.70 104.07 2dkw s SER 3 Ca 0.24 0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.64 2dkw s SER 3 Cb 0.17 0.08 0.05 0.00 0.21 0.00 0.00 66.02 66.53 2dkw s SER 3 CO -0.02 -0.17 0.13 0.61 0.41 0.00 0.00 173.24 174.21 2dkw n GLY 4 N 4.52 -0.15 2.65 3.44 0.00 -1.26 -4.61 105.19 109.78 2dkw n GLY 4 Ca -0.20 0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 2dkw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkw n SER 5 N -1.88 0.20 -4.76 1.61 7.64 -1.26 -4.88 113.62 110.28 2dkw n SER 5 Ca -0.14 0.87 -0.29 0.00 1.01 0.00 0.00 58.87 60.32 2dkw n SER 5 Cb 0.45 -0.68 0.13 0.00 -1.01 0.00 0.00 64.21 63.10 2dkw n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkw s SER 6 N 0.50 3.62 0.00 6.43 1.04 -1.26 -4.51 113.70 119.53 2dkw s SER 6 Ca 0.70 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.32 2dkw s SER 6 Cb -0.98 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 63.29 2dkw s SER 6 CO 0.47 -2.50 0.00 0.61 0.98 0.00 0.00 173.24 172.79 2dkw n GLY 7 N -1.79 2.38 0.18 7.32 0.00 -1.26 -4.82 105.19 107.19 2dkw n GLY 7 Ca 0.06 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 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 0.63 -0.96 1.61 2.35 -1.98 -2.48 115.58 114.75 2dkw h ASN 8 Ca 0.00 -0.57 0.10 0.00 -0.55 0.00 0.00 56.30 55.28 2dkw h ASN 8 Cb 0.00 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.11 2dkw h ASN 8 CO 0.00 1.09 0.61 0.74 -1.65 0.00 0.00 177.43 178.22 2dkw h THR 9 N 0.20 0.96 0.20 2.81 2.02 -1.88 -2.56 112.91 114.66 2dkw h THR 9 Ca -0.00 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2dkw h THR 9 Cb 1.00 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2dkw h THR 9 CO 0.09 0.18 -0.09 -0.07 0.37 0.00 0.00 175.52 175.99 2dkw h LEU 10 N 0.97 -0.22 -0.97 2.58 3.38 -1.94 -3.04 115.31 116.07 2dkw h LEU 10 Ca 0.45 -0.31 0.14 0.00 0.09 0.00 0.00 57.88 58.26 2dkw h LEU 10 Cb 0.42 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.08 2dkw h LEU 10 CO -0.21 0.27 -0.41 -0.09 0.09 0.00 0.00 178.44 178.08 2dkw h ARG 11 N -0.80 -0.01 -0.71 1.13 1.12 -1.13 0.62 114.38 114.59 2dkw h ARG 11 Ca -0.03 0.00 0.08 0.00 -1.11 0.00 0.00 59.98 58.92 2dkw h ARG 11 Cb 0.52 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.41 2dkw h ARG 11 CO 0.04 -0.01 0.38 0.93 -3.11 0.00 0.00 179.97 178.21 2dkw h GLU 12 N -0.01 0.65 -0.20 0.20 4.39 -1.54 -2.22 114.58 115.85 2dkw h GLU 12 Ca 0.32 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2dkw h GLU 12 Cb 0.57 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2dkw h GLU 12 CO -0.96 0.43 0.13 1.25 -1.16 0.00 0.00 179.01 178.70 2dkw h LEU 13 N 0.67 0.23 -0.25 1.33 5.85 0.23 -2.03 115.31 121.35 2dkw h LEU 13 Ca 0.34 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.10 2dkw h LEU 13 Cb 0.29 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2dkw h LEU 13 CO -0.23 0.17 -0.48 0.03 -0.34 0.00 0.00 178.44 177.59 2dkw h ARG 14 N 0.27 -0.45 -0.38 1.25 3.08 -0.22 0.19 114.38 118.13 2dkw h ARG 14 Ca 0.07 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.22 2dkw h ARG 14 Cb -0.03 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 2dkw h ARG 14 CO -0.02 -0.30 0.03 -0.07 -1.07 0.00 0.00 179.97 178.55 2dkw h LEU 15 N -0.46 -0.09 -0.15 3.04 3.38 -1.39 0.79 115.31 120.44 2dkw h LEU 15 Ca 0.08 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2dkw h LEU 15 Cb 0.63 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2dkw h LEU 15 CO -0.49 -0.01 -0.15 0.15 0.09 0.00 0.00 178.44 178.03 2dkw h PHE 16 N 0.14 -0.39 0.01 1.13 3.57 -0.55 -0.56 116.94 120.29 2dkw h PHE 16 Ca 0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2dkw h PHE 16 Cb 0.24 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2dkw h PHE 16 CO -0.23 -0.22 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.55 2dkw h LEU 17 N -0.18 -0.01 -0.85 0.59 3.38 -0.17 -2.90 115.31 115.18 2dkw h LEU 17 Ca 0.10 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2dkw h LEU 17 Cb 0.33 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2dkw h LEU 17 CO -0.26 -0.01 -0.43 -1.14 0.09 0.00 0.00 178.44 176.70 2dkw n ARG 18 N -2.03 -0.30 -0.33 1.13 0.63 0.23 0.17 116.66 116.15 2dkw n ARG 18 Ca -0.00 1.29 0.22 0.00 -0.92 0.00 0.00 57.85 58.44 2dkw n ARG 18 Cb 0.00 -1.91 0.44 0.00 0.45 0.00 0.00 32.46 31.45 2dkw n ARG 18 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2dkw h ASP 19 N 0.00 0.43 0.46 6.15 3.58 -1.14 0.22 116.42 126.12 2dkw h ASP 19 Ca 0.20 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.82 2dkw h ASP 19 Cb 0.41 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2dkw h ASP 19 CO -0.82 -0.14 -0.22 0.58 -2.88 0.00 0.00 179.24 175.77 2dkw h VAL 20 N 0.31 0.44 0.11 2.25 2.07 0.19 -2.94 116.25 118.68 2dkw h VAL 20 Ca 0.71 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.79 2dkw h VAL 20 Cb 1.58 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2dkw h VAL 20 CO -0.62 0.07 -0.28 0.74 0.02 0.00 0.00 177.57 177.50 2dkw h THR 21 N -0.92 0.39 -0.67 2.57 2.02 -0.32 -2.41 112.91 113.56 2dkw h THR 21 Ca -0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 2dkw h THR 21 Cb 0.58 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 67.29 2dkw h THR 21 CO 0.10 0.00 -0.48 0.50 0.37 0.00 0.00 175.52 176.02 2dkw h LYS 22 N -0.49 -0.10 -0.72 6.66 3.64 -0.71 0.31 116.57 125.15 2dkw h LYS 22 Ca 0.03 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.58 2dkw h LYS 22 Cb 0.52 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 2dkw h LYS 22 CO -0.17 -0.06 0.11 -0.09 -2.27 0.00 0.00 179.45 176.97 2dkw h ARG 23 N -0.10 0.19 0.05 1.90 9.65 -1.35 0.13 114.38 124.86 2dkw h ARG 23 Ca 0.11 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2dkw h ARG 23 Cb 0.38 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2dkw h ARG 23 CO -0.68 0.13 -0.02 -0.07 2.80 0.00 0.00 179.97 182.12 2dkw h LEU 24 N 0.20 -0.06 -0.65 3.80 3.38 -0.16 -2.53 115.31 119.30 2dkw h LEU 24 Ca 0.40 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.44 2dkw h LEU 24 Cb 0.70 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 2dkw h LEU 24 CO -0.55 -0.04 -0.57 0.00 0.09 0.00 0.00 178.44 177.37 2dkw h ALA 25 N -1.96 -0.69 -1.09 1.53 0.00 -0.34 0.32 119.26 117.04 2dkw h ALA 25 Ca -0.01 0.05 0.37 0.00 0.00 0.00 0.00 54.91 55.32 2dkw h ALA 25 Cb 0.05 1.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 2dkw h ALA 25 CO 0.01 -1.01 0.65 1.79 0.00 0.00 0.00 179.25 180.68 2dkw h THR 26 N -0.23 0.19 -2.21 0.00 1.35 -0.82 -3.34 112.91 107.85 2dkw h THR 26 Ca 0.11 -0.06 -0.58 0.00 -0.55 0.00 0.00 66.41 65.32 2dkw h THR 26 Cb 0.52 -0.01 0.03 0.00 -1.73 0.00 0.00 68.15 66.96 2dkw h THR 26 CO -0.73 0.03 1.03 -0.67 -0.25 0.00 0.00 175.52 174.93 2dkw n ASP 27 N -4.98 3.52 0.27 5.36 -0.08 0.11 -4.82 116.55 115.94 2dkw n ASP 27 Ca 0.34 1.00 0.18 0.00 -1.51 0.00 0.00 54.79 54.81 2dkw n ASP 27 Cb 1.18 -1.43 0.98 0.00 2.34 0.00 0.00 41.12 44.18 2dkw n ASP 27 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2dkw h LYS 28 N 8.26 0.00 0.00 -0.67 3.64 -1.84 0.20 116.57 126.16 2dkw h LYS 28 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2dkw h LYS 28 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2dkw h LYS 28 CO 0.93 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 178.65 2dkw n ARG 29 N -2.77 0.08 -0.21 1.90 5.12 -1.26 -3.34 116.66 116.17 2dkw n ARG 29 Ca -0.02 0.08 0.04 0.00 -1.93 0.00 0.00 57.85 56.02 2dkw n ARG 29 Cb 0.07 -1.59 0.06 0.00 -1.16 0.00 0.00 32.46 29.83 2dkw n ARG 29 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2dkw n PHE 30 N -1.73 0.00 0.44 -1.55 3.72 0.63 -4.73 117.46 114.24 2dkw n PHE 30 Ca 0.06 -0.47 0.13 0.00 -0.05 0.00 0.00 57.45 57.13 2dkw n PHE 30 Cb 0.36 -0.09 0.40 0.00 -0.94 0.00 0.00 39.48 39.21 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 0.00 0.00 1.35 4.37 4.21 -1.36 -3.02 115.58 121.13 2dkw h ASN 31 Ca 0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 2dkw h ASN 31 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.28 2dkw h ASN 31 CO 0.00 0.00 -0.18 0.16 -1.29 0.00 0.00 177.43 176.12 2dkw h ILE 32 N 0.00 0.37 0.00 2.81 3.07 -1.85 -3.10 117.51 118.81 2dkw h ILE 32 Ca 0.00 -1.21 0.00 0.00 1.55 0.00 0.00 64.86 65.20 2dkw h ILE 32 Cb 0.71 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 2dkw h ILE 32 CO 0.00 0.18 -1.44 0.49 -1.05 0.00 0.00 178.15 176.32 2dkw n PHE 33 N -3.22 0.40 0.19 0.16 3.72 -1.15 -4.07 117.46 113.50 2dkw n PHE 33 Ca 0.02 0.12 0.09 0.00 -0.05 0.00 0.00 57.45 57.63 2dkw n PHE 33 Cb 0.50 -0.65 0.47 0.00 -0.94 0.00 0.00 39.48 38.86 2dkw n PHE 33 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dkw n SER 34 N -2.34 0.47 -4.09 4.37 7.64 -1.17 -4.00 113.62 114.49 2dkw n SER 34 Ca -0.01 0.70 -0.10 0.00 1.01 0.00 0.00 58.87 60.46 2dkw n SER 34 Cb 0.53 -0.77 -0.11 0.00 -1.01 0.00 0.00 64.21 62.86 2dkw n SER 34 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dkw s LYS 35 N -3.41 0.62 -0.49 1.43 0.00 -1.26 -4.00 119.74 112.63 2dkw s LYS 35 Ca -0.01 -1.03 -0.27 0.00 0.00 0.00 0.00 55.97 54.66 2dkw s LYS 35 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 37.83 37.76 2dkw s LYS 35 CO 0.20 -0.02 1.79 -1.25 0.00 0.00 0.00 175.35 176.07 2dkw s PRO 36 N -2.80 2.97 -1.43 1.78 0.04 -1.26 -4.89 135.00 129.41 2dkw s PRO 36 Ca 0.00 0.92 -0.09 0.00 0.04 0.00 0.00 61.00 61.87 2dkw s PRO 36 Cb -0.01 -4.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.14 2dkw s PRO 36 CO -0.04 -2.30 3.03 1.33 0.04 0.00 0.00 177.00 179.06 2dkw n VAL 37 N 7.27 4.20 -4.10 -0.36 0.24 -1.26 -4.85 118.33 119.47 2dkw n VAL 37 Ca 0.21 -2.51 -0.10 0.00 -2.04 0.00 0.00 64.34 59.90 2dkw n VAL 37 Cb 0.50 -2.53 -0.10 0.00 -1.47 0.00 0.00 33.84 30.23 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 2.10 0.80 0.04 -1.34 1.04 -1.26 -4.92 113.70 110.15 2dkw s SER 38 Ca 0.69 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 56.10 2dkw s SER 38 Cb 0.20 0.10 -0.10 0.00 0.10 0.00 0.00 66.02 66.32 2dkw s SER 38 CO -0.05 -0.41 1.30 0.44 0.98 0.00 0.00 173.24 175.50 2dkw h ASP 39 N 3.63 -0.66 -1.09 7.02 3.32 -2.02 -3.45 116.42 123.16 2dkw h ASP 39 Ca -0.35 0.03 -0.48 0.00 0.02 0.00 0.00 57.03 56.26 2dkw h ASP 39 Cb 1.17 0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.92 2dkw h ASP 39 CO 0.56 -0.41 -0.22 -0.47 -1.72 0.00 0.00 179.24 176.98 2dkw s TYR 40 N -4.56 2.09 -0.28 4.55 5.04 -1.26 -5.07 117.35 117.86 2dkw s TYR 40 Ca -0.10 -0.60 -0.12 0.00 -2.44 0.00 0.00 57.07 53.81 2dkw s TYR 40 Cb 0.01 -2.23 -0.13 0.00 0.35 0.00 0.00 41.96 39.97 2dkw s TYR 40 CO 0.32 -0.68 -0.33 1.47 -1.34 0.00 0.00 175.55 174.99 2dkw n LEU 41 N -1.96 2.07 -1.63 6.97 -0.00 -1.26 -4.46 117.00 116.73 2dkw n LEU 41 Ca 0.09 0.29 -0.03 0.00 -0.00 0.00 0.00 56.01 56.36 2dkw n LEU 41 Cb 0.61 -0.83 -0.04 0.00 -0.00 0.00 0.00 43.42 43.16 2dkw n LEU 41 CO 0.40 0.61 1.12 1.21 -0.00 0.00 0.00 177.39 180.73 2dkw n GLU 42 N -4.14 1.21 0.00 1.47 0.00 -1.26 -3.26 120.64 114.65 2dkw n GLU 42 Ca -0.53 -0.23 0.00 0.00 0.00 0.00 0.00 57.16 56.39 2dkw n GLU 42 Cb 0.90 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 31.09 2dkw n GLU 42 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2dkw n VAL 43 N 1.75 0.00 -4.46 6.31 3.14 -1.26 -5.04 118.33 118.77 2dkw n VAL 43 Ca 0.10 -0.37 -0.34 0.00 -2.96 0.00 0.00 64.34 60.76 2dkw n VAL 43 Cb 0.58 1.18 -0.10 0.00 -1.06 0.00 0.00 33.84 34.45 2dkw n VAL 43 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2dkw s ILE 44 N -0.20 4.08 -0.05 1.55 1.09 -1.20 -5.04 121.20 121.42 2dkw s ILE 44 Ca 0.00 -0.35 -0.20 0.00 -1.10 0.00 0.00 60.65 59.00 2dkw s ILE 44 Cb 0.00 -2.70 -0.14 0.00 -1.06 0.00 0.00 42.46 38.55 2dkw s ILE 44 CO 0.00 0.59 0.80 0.11 -0.10 0.00 0.00 174.94 176.34 2dkw h LYS 45 N 5.15 -0.23 -2.81 2.79 1.79 -1.96 -3.38 116.57 117.92 2dkw h LYS 45 Ca -0.50 0.02 -0.69 0.00 -2.18 0.00 0.00 60.65 57.30 2dkw h LYS 45 Cb 1.18 0.05 -0.37 0.00 -1.58 0.00 0.00 32.23 31.52 2dkw h LYS 45 CO 0.54 0.17 -0.10 -0.85 -1.08 0.00 0.00 179.45 178.12 2dkw n GLU 46 N -4.93 2.97 -2.12 3.15 0.00 -1.26 -5.05 120.64 113.39 2dkw n GLU 46 Ca -0.07 -4.57 -0.43 0.00 0.00 0.00 0.00 57.16 52.09 2dkw n GLU 46 Cb 0.25 -2.37 -0.03 0.00 0.00 0.00 0.00 31.44 29.30 2dkw n GLU 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2dkw s PRO 47 N -2.11 3.86 -0.09 3.44 0.04 -1.26 -4.95 135.00 133.93 2dkw s PRO 47 Ca 0.33 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2dkw s PRO 47 Cb 0.04 -4.01 0.07 0.00 0.04 0.00 0.00 34.50 30.63 2dkw s PRO 47 CO -0.04 -1.21 0.69 1.41 0.04 0.00 0.00 177.00 177.89 2dkw s MET 48 N 4.54 1.01 0.09 4.56 1.75 -1.26 -5.12 119.30 124.88 2dkw s MET 48 Ca 0.70 0.39 -0.22 0.00 -1.25 0.00 0.00 55.69 55.31 2dkw s MET 48 Cb -0.25 0.48 0.06 0.00 2.84 0.00 0.00 34.83 37.95 2dkw s MET 48 CO 0.28 -0.29 0.54 0.16 -0.65 0.00 0.00 175.02 175.07 2dkw s ASP 49 N -0.92 -0.47 0.49 1.11 1.47 -1.26 -4.81 116.67 112.28 2dkw s ASP 49 Ca -0.09 0.07 0.38 0.00 1.18 0.00 0.00 52.55 54.09 2dkw s ASP 49 Cb -0.01 0.53 1.56 0.00 -0.34 0.00 0.00 42.92 44.66 2dkw s ASP 49 CO 0.08 -0.82 1.61 -0.07 0.68 0.00 0.00 175.17 176.65 2dkw h LEU 50 N 2.45 0.14 0.76 2.11 3.38 -1.81 0.11 115.31 122.45 2dkw h LEU 50 Ca -0.32 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2dkw h LEU 50 Cb 1.25 0.08 0.01 0.00 0.09 0.00 0.00 40.66 42.09 2dkw h LEU 50 CO 0.41 -0.13 -0.37 -1.28 0.09 0.00 0.00 178.44 177.16 2dkw h SER 51 N 0.03 -0.87 -0.00 -0.43 0.87 -1.87 -1.15 113.55 110.14 2dkw h SER 51 Ca 0.86 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.45 2dkw h SER 51 Cb 3.02 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 65.20 2dkw h SER 51 CO -0.27 -0.59 0.02 0.00 -0.53 0.00 0.00 176.83 175.46 2dkw h THR 52 N -1.08 0.01 -0.00 2.23 1.03 -1.17 -2.28 112.91 111.64 2dkw h THR 52 Ca -0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 2dkw h THR 52 Cb 0.78 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 2dkw h THR 52 CO 0.17 0.00 -0.03 0.58 -0.01 0.00 0.00 175.52 176.23 2dkw h VAL 53 N 0.00 1.59 -0.82 0.00 2.07 -0.85 -3.04 116.25 115.19 2dkw h VAL 53 Ca 0.00 -1.77 0.14 0.00 0.82 0.00 0.00 66.70 65.88 2dkw h VAL 53 Cb 0.04 2.78 -0.09 0.00 -1.52 0.00 0.00 31.29 32.50 2dkw h VAL 53 CO -0.00 0.46 0.40 0.40 0.02 0.00 0.00 177.57 178.86 2dkw h ILE 54 N -0.71 0.73 0.88 4.57 2.04 -0.61 -2.49 117.51 121.91 2dkw h ILE 54 Ca -0.00 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 2dkw h ILE 54 Cb 0.78 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2dkw h ILE 54 CO 0.01 0.11 -0.42 0.74 0.00 0.00 0.00 178.15 178.58 2dkw h THR 55 N 0.59 0.14 -0.97 -0.27 2.02 -1.61 -2.45 112.91 110.36 2dkw h THR 55 Ca 0.44 -0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.80 2dkw h THR 55 Cb 0.62 0.14 -0.18 0.00 -1.74 0.00 0.00 68.15 66.99 2dkw h THR 55 CO -0.36 0.00 -0.28 0.11 0.37 0.00 0.00 175.52 175.36 2dkw h LYS 56 N -1.18 -0.00 -0.46 6.66 1.57 -1.33 0.51 116.57 122.33 2dkw h LYS 56 Ca -0.12 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2dkw h LYS 56 Cb 0.90 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 2dkw h LYS 56 CO 0.20 -0.00 0.21 0.82 -0.57 0.00 0.00 179.45 180.10 2dkw h ILE 57 N -0.00 0.92 -0.02 1.86 2.04 -1.35 0.06 117.51 121.01 2dkw h ILE 57 Ca 0.43 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 66.16 2dkw h ILE 57 Cb 0.68 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2dkw h ILE 57 CO -1.00 0.08 0.06 0.44 0.00 0.00 0.00 178.15 177.73 2dkw h ASP 58 N 0.41 0.00 -0.64 1.72 3.32 0.47 0.27 116.42 121.98 2dkw h ASP 58 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2dkw h ASP 58 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2dkw h ASP 58 CO -0.17 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.64 2dkw n LYS 59 N -3.33 2.85 -3.48 3.56 4.01 -0.06 -4.94 118.16 116.77 2dkw n LYS 59 Ca -0.02 -2.44 -0.18 0.00 -0.51 0.00 0.00 58.31 55.16 2dkw n LYS 59 Cb 0.14 -1.62 0.08 0.00 -0.51 0.00 0.00 35.03 33.11 2dkw n LYS 59 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2dkw n HIS 60 N 1.28 -2.15 -0.10 2.13 8.25 0.96 -4.95 115.22 120.65 2dkw n HIS 60 Ca 0.22 0.91 -0.24 0.00 -0.26 0.00 0.00 57.72 58.35 2dkw n HIS 60 Cb 0.64 -4.86 -0.11 0.00 1.12 0.00 0.00 29.99 26.78 2dkw n HIS 60 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2dkw n ASN 61 N -3.12 1.93 -4.62 0.41 2.85 -0.82 -4.85 115.26 107.04 2dkw n ASN 61 Ca -0.28 0.34 -0.43 0.00 -0.11 0.00 0.00 54.58 54.11 2dkw n ASN 61 Cb 0.67 -0.88 -0.02 0.00 1.24 0.00 0.00 39.78 40.78 2dkw n ASN 61 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2dkw s TYR 62 N -2.44 2.40 -1.19 1.20 2.02 -1.26 -4.84 117.35 113.24 2dkw s TYR 62 Ca -0.32 0.71 0.14 0.00 -0.37 0.00 0.00 57.07 57.24 2dkw s TYR 62 Cb 0.09 -4.01 -0.02 0.00 -0.40 0.00 0.00 41.96 37.62 2dkw s TYR 62 CO 0.58 -2.24 0.75 1.47 -1.57 0.00 0.00 175.55 174.54 2dkw n LEU 63 N 8.23 1.38 -3.88 -1.29 -0.00 -1.26 -4.78 117.00 115.40 2dkw n LEU 63 Ca 0.17 -0.74 -0.11 0.00 -0.00 0.00 0.00 56.01 55.33 2dkw n LEU 63 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.79 2dkw n LEU 63 CO 0.65 0.27 -0.18 0.42 -0.00 0.00 0.00 177.39 178.56 2dkw s THR 64 N -1.74 0.09 0.04 1.47 -4.23 -1.26 -4.24 115.64 105.77 2dkw s THR 64 Ca 0.11 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.71 2dkw s THR 64 Cb 0.11 -0.47 -0.19 0.00 1.34 0.00 0.00 72.50 73.29 2dkw s THR 64 CO 0.36 -0.40 1.22 0.00 -0.54 0.00 0.00 174.62 175.26 2dkw h ALA 65 N 4.22 0.19 0.00 3.99 0.00 -1.94 -3.05 119.26 122.66 2dkw h ALA 65 Ca -0.31 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2dkw h ALA 65 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dkw h ALA 65 CO 0.41 0.39 0.25 -0.22 0.00 0.00 0.00 179.25 180.08 2dkw h LYS 66 N 0.11 0.00 0.00 0.00 3.64 -1.98 0.41 116.57 118.74 2dkw h LYS 66 Ca -0.04 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 2dkw h LYS 66 Cb 1.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 2dkw h LYS 66 CO 0.11 0.00 -1.41 -0.44 -2.27 0.00 0.00 179.45 175.44 2dkw h ASP 67 N 0.00 0.00 0.14 4.20 3.32 -1.97 -3.24 116.42 118.88 2dkw h ASP 67 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2dkw h ASP 67 Cb 0.51 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.09 2dkw h ASP 67 CO 0.00 0.60 -1.08 0.15 -1.72 0.00 0.00 179.24 177.18 2dkw h PHE 68 N 0.00 0.82 -0.31 4.55 3.57 -0.17 -3.24 116.94 122.17 2dkw h PHE 68 Ca -0.17 -0.55 -0.03 0.00 3.53 0.00 0.00 57.97 60.76 2dkw h PHE 68 Cb 1.60 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 2dkw h PHE 68 CO 0.00 1.40 0.07 -0.07 -2.23 0.00 0.00 178.31 177.49 2dkw h LEU 69 N 0.01 0.47 -1.94 0.59 3.38 -1.40 -2.58 115.31 113.84 2dkw h LEU 69 Ca -0.18 -0.24 0.15 0.00 0.09 0.00 0.00 57.88 57.71 2dkw h LEU 69 Cb 1.81 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 2dkw h LEU 69 CO 0.21 0.58 0.39 0.07 0.09 0.00 0.00 178.44 179.78 2dkw h LYS 70 N 0.33 0.06 0.00 1.13 2.10 -1.67 0.36 116.57 118.88 2dkw h LYS 70 Ca 0.10 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.68 2dkw h LYS 70 Cb 0.30 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2dkw h LYS 70 CO 0.00 0.04 -0.28 -0.44 -2.00 0.00 0.00 179.45 176.77 2dkw h ASP 71 N 0.06 0.00 0.64 7.07 3.32 -1.48 -2.96 116.42 123.07 2dkw h ASP 71 Ca 0.26 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.04 2dkw h ASP 71 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2dkw h ASP 71 CO -0.02 0.28 -1.25 0.40 -1.72 0.00 0.00 179.24 176.93 2dkw h ILE 72 N 0.00 1.49 0.00 0.35 1.08 -0.17 -3.11 117.51 117.14 2dkw h ILE 72 Ca -0.00 -3.07 -0.06 0.00 -0.39 0.00 0.00 64.86 61.34 2dkw h ILE 72 Cb 0.93 2.93 -0.01 0.00 -3.07 0.00 0.00 36.82 37.61 2dkw h ILE 72 CO 0.04 0.89 -0.29 -0.78 -0.69 0.00 0.00 178.15 177.32 2dkw h ASP 73 N 0.07 0.00 -0.01 1.72 1.82 -1.34 -3.17 116.42 115.51 2dkw h ASP 73 Ca -0.14 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.38 2dkw h ASP 73 Cb 1.97 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.99 2dkw h ASP 73 CO 0.20 0.29 -0.49 0.25 -1.61 0.00 0.00 179.24 177.88 2dkw h LEU 74 N 0.00 0.45 -0.82 2.28 5.85 -1.56 -3.21 115.31 118.30 2dkw h LEU 74 Ca -0.00 -0.75 0.18 0.00 0.84 0.00 0.00 57.88 58.15 2dkw h LEU 74 Cb 0.81 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.59 2dkw h LEU 74 CO 0.04 1.14 0.30 0.40 -0.34 0.00 0.00 178.44 179.98 2dkw h ILE 75 N -0.20 0.53 -0.82 4.05 2.04 -1.51 0.13 117.51 121.74 2dkw h ILE 75 Ca -0.06 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2dkw h ILE 75 Cb 1.21 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2dkw h ILE 75 CO 0.10 0.07 0.43 0.00 0.00 0.00 0.00 178.15 178.75 2dkw h SER 77 N 1.14 -0.38 -0.33 0.00 0.02 -0.80 -2.33 113.55 110.88 2dkw h SER 77 Ca 0.29 -0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 2dkw h SER 77 Cb 0.05 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2dkw h SER 77 CO -0.04 -0.16 0.66 0.78 -1.14 0.00 0.00 176.83 176.92 2dkw h ASN 78 N -0.59 0.00 0.00 3.07 2.35 -1.10 0.19 115.58 119.51 2dkw h ASN 78 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2dkw h ASN 78 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2dkw h ASN 78 CO 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 2dkw n ALA 79 N -2.03 -0.18 -0.28 -0.83 0.00 -0.88 -3.55 120.51 112.76 2dkw n ALA 79 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 2dkw n ALA 79 Cb 0.79 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.38 2dkw n ALA 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dkw h LEU 80 N 0.00 1.02 -0.93 0.00 3.38 -1.48 0.35 115.31 117.64 2dkw h LEU 80 Ca 0.00 -0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.19 2dkw h LEU 80 Cb 0.00 -0.26 -0.17 0.00 0.09 0.00 0.00 40.66 40.32 2dkw h LEU 80 CO 0.00 0.81 0.18 1.21 0.09 0.00 0.00 178.44 180.72 2dkw n GLU 81 N -4.35 -0.07 -0.11 1.13 2.13 0.62 -2.40 120.64 117.60 2dkw n GLU 81 Ca 0.09 1.36 -0.20 0.00 0.66 0.00 0.00 57.16 59.07 2dkw n GLU 81 Cb 0.09 -2.25 -0.09 0.00 0.27 0.00 0.00 31.44 29.46 2dkw n GLU 81 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2dkw n TYR 82 N -5.29 0.00 -1.63 4.31 4.02 -1.05 -5.00 117.16 112.51 2dkw n TYR 82 Ca 0.26 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.74 2dkw n TYR 82 Cb 0.88 -0.79 0.02 0.00 -0.02 0.00 0.00 39.34 39.42 2dkw n TYR 82 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2dkw n ASN 83 N -3.62 1.56 -3.14 7.72 3.02 0.12 -4.99 115.26 115.93 2dkw n ASN 83 Ca -0.41 1.03 -0.18 0.00 -0.03 0.00 0.00 54.58 55.00 2dkw n ASN 83 Cb 0.84 -1.40 0.15 0.00 -0.61 0.00 0.00 39.78 38.77 2dkw n ASN 83 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2dkw n PRO 84 N 0.01 -2.31 0.00 3.52 -0.04 -1.26 -4.67 135.00 130.25 2dkw n PRO 84 Ca 0.09 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2dkw n PRO 84 Cb 0.40 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2dkw n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dkw n ASP 85 N -4.13 3.71 -3.88 3.54 -0.08 -1.26 -4.86 116.55 109.58 2dkw n ASP 85 Ca 0.09 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.98 2dkw n ASP 85 Cb 0.36 0.27 -0.01 0.00 2.34 0.00 0.00 41.12 44.07 2dkw n ASP 85 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2dkw n LYS 86 N -1.89 4.04 -3.49 -0.67 4.01 -1.26 -4.74 118.16 114.17 2dkw n LYS 86 Ca 0.00 -4.58 -0.13 0.00 -0.51 0.00 0.00 58.31 53.08 2dkw n LYS 86 Cb 0.40 -2.46 -0.04 0.00 -0.51 0.00 0.00 35.03 32.42 2dkw n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2dkw s ASP 87 N -1.90 -0.54 0.26 4.39 1.01 -1.26 -5.13 116.67 113.51 2dkw s ASP 87 Ca 0.33 0.16 -0.29 0.00 0.71 0.00 0.00 52.55 53.46 2dkw s ASP 87 Cb 0.07 0.56 -0.09 0.00 1.01 0.00 0.00 42.92 44.46 2dkw s ASP 87 CO 0.08 -0.84 1.26 -2.16 0.21 0.00 0.00 175.17 173.72 2dkw s PRO 88 N -2.96 4.43 0.00 8.23 0.04 -1.26 -3.07 135.00 140.41 2dkw s PRO 88 Ca -0.03 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2dkw s PRO 88 Cb -0.01 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2dkw s PRO 88 CO -0.06 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2dkw n GLY 89 N 1.53 2.80 0.20 0.56 0.00 -1.26 -4.83 105.19 104.19 2dkw n GLY 89 Ca 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2dkw n GLY 89 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dkw h ASP 90 N 0.00 0.72 -0.68 1.61 5.19 -1.91 -3.14 116.42 118.22 2dkw h ASP 90 Ca 0.00 -0.49 0.13 0.00 -0.62 0.00 0.00 57.03 56.05 2dkw h ASP 90 Cb 0.00 -0.20 -0.13 0.00 0.18 0.00 0.00 39.33 39.18 2dkw h ASP 90 CO 0.00 1.06 -0.26 0.11 -3.12 0.00 0.00 179.24 177.03 2dkw h LYS 91 N 0.40 -0.07 0.46 3.56 1.57 -1.85 0.25 116.57 120.88 2dkw h LYS 91 Ca 0.04 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2dkw h LYS 91 Cb 0.87 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2dkw h LYS 91 CO 0.07 -0.05 -0.31 0.82 -0.57 0.00 0.00 179.45 179.42 2dkw h ILE 92 N -0.08 0.37 -0.85 1.86 5.03 -1.93 -2.68 117.51 119.22 2dkw h ILE 92 Ca 0.30 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 65.24 2dkw h ILE 92 Cb 0.55 0.37 -0.12 0.00 -3.03 0.00 0.00 36.82 34.58 2dkw h ILE 92 CO -0.73 0.00 0.30 0.40 -0.68 0.00 0.00 178.15 177.44 2dkw h ILE 93 N -0.74 0.45 -0.91 -0.67 2.04 -1.23 0.30 117.51 116.75 2dkw h ILE 93 Ca -0.05 -0.11 0.25 0.00 1.00 0.00 0.00 64.86 65.95 2dkw h ILE 93 Cb 0.62 0.09 -0.15 0.00 -0.74 0.00 0.00 36.82 36.64 2dkw h ILE 93 CO 0.03 0.06 0.19 -0.09 0.00 0.00 0.00 178.15 178.35 2dkw h ARG 94 N 0.33 0.13 0.05 2.37 1.12 -0.63 0.18 114.38 117.93 2dkw h ARG 94 Ca 0.52 -0.01 -0.31 0.00 -1.11 0.00 0.00 59.98 59.07 2dkw h ARG 94 Cb 0.98 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.87 2dkw h ARG 94 CO -0.55 0.09 -1.75 1.25 -3.11 0.00 0.00 179.97 175.89 2dkw h HIS 95 N 0.14 0.19 -0.97 2.20 2.76 -0.93 -3.34 115.15 115.20 2dkw h HIS 95 Ca 0.58 -0.14 0.11 0.00 -2.20 0.00 0.00 60.37 58.72 2dkw h HIS 95 Cb 1.20 -0.01 -0.08 0.00 1.55 0.00 0.00 27.41 30.08 2dkw h HIS 95 CO -0.31 1.28 0.62 -0.09 -1.30 0.00 0.00 177.93 178.12 2dkw h ARG 96 N 0.03 0.94 0.24 5.26 2.43 0.15 -2.27 114.38 121.16 2dkw h ARG 96 Ca -0.31 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 2dkw h ARG 96 Cb 2.01 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 2dkw h ARG 96 CO 0.09 0.62 -0.12 0.00 -1.51 0.00 0.00 179.97 179.06 2dkw h ALA 97 N 1.54 -0.33 -0.67 2.80 0.00 -0.90 -2.73 119.26 118.97 2dkw h ALA 97 Ca 0.46 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.36 2dkw h ALA 97 Cb 0.45 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 2dkw h ALA 97 CO -0.23 -0.55 -0.05 0.00 0.00 0.00 0.00 179.25 178.42 2dkw h THR 99 N 0.07 0.00 -0.86 0.00 2.02 -1.39 -2.19 112.91 110.56 2dkw h THR 99 Ca 0.35 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.84 2dkw h THR 99 Cb 0.58 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.83 2dkw h THR 99 CO -0.62 0.00 0.29 -0.11 0.37 0.00 0.00 175.52 175.45 2dkw n LEU 100 N -4.13 0.14 0.18 2.58 7.94 -0.95 -0.75 117.00 122.01 2dkw n LEU 100 Ca -0.08 1.44 -0.07 0.00 -1.11 0.00 0.00 56.01 56.20 2dkw n LEU 100 Cb 0.28 -0.63 -0.03 0.00 0.53 0.00 0.00 43.42 43.56 2dkw n LEU 100 CO 0.17 -1.55 0.44 0.50 -1.11 0.00 0.00 177.39 175.84 2dkw h LYS 101 N 0.00 -0.44 -0.85 1.96 3.64 -0.99 -2.88 116.57 117.01 2dkw h LYS 101 Ca 0.65 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 60.20 2dkw h LYS 101 Cb 1.60 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 33.37 2dkw h LYS 101 CO -0.72 -0.29 -0.35 0.22 -2.27 0.00 0.00 179.45 176.04 2dkw h ASP 102 N -0.51 -1.26 -0.41 4.20 1.82 -0.34 -1.16 116.42 118.77 2dkw h ASP 102 Ca -0.05 0.28 0.04 0.00 -0.39 0.00 0.00 57.03 56.91 2dkw h ASP 102 Cb 0.35 0.67 -0.06 0.00 0.68 0.00 0.00 39.33 40.97 2dkw h ASP 102 CO 0.08 -0.29 -0.38 0.74 -1.61 0.00 0.00 179.24 177.77 2dkw h THR 103 N -0.05 0.00 0.00 2.25 2.02 -1.20 0.36 112.91 116.29 2dkw h THR 103 Ca 0.32 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.52 2dkw h THR 103 Cb 0.59 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2dkw h THR 103 CO -0.88 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 174.70 2dkw h ALA 104 N -0.30 -0.76 -1.29 6.16 0.00 -1.01 0.55 119.26 122.61 2dkw h ALA 104 Ca 0.07 -0.05 0.44 0.00 0.00 0.00 0.00 54.91 55.37 2dkw h ALA 104 Cb 0.36 0.76 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2dkw h ALA 104 CO -0.48 -0.85 0.82 0.45 0.00 0.00 0.00 179.25 179.18 2dkw h HIS 105 N -0.39 0.57 0.09 0.00 -0.00 -0.95 0.36 115.15 114.83 2dkw h HIS 105 Ca 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2dkw h HIS 105 Cb 0.42 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2dkw h HIS 105 CO -0.45 -0.25 -0.04 0.00 -0.00 0.00 0.00 177.93 177.19 2dkw h ALA 106 N 1.65 -0.12 -0.24 2.45 0.00 0.70 -1.58 119.26 122.12 2dkw h ALA 106 Ca 0.83 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.53 2dkw h ALA 106 Cb 2.56 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.35 2dkw h ALA 106 CO -0.47 -0.27 -0.01 0.82 0.00 0.00 0.00 179.25 179.31 2dkw h ILE 107 N -0.72 0.81 0.58 0.00 2.04 0.17 0.12 117.51 120.51 2dkw h ILE 107 Ca -0.01 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2dkw h ILE 107 Cb 0.56 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2dkw h ILE 107 CO 0.02 0.01 -0.28 0.40 0.00 0.00 0.00 178.15 178.30 2dkw h ILE 108 N 0.06 0.41 -0.60 -0.67 1.08 -0.93 0.24 117.51 117.10 2dkw h ILE 108 Ca 0.12 -0.09 0.11 0.00 -0.39 0.00 0.00 64.86 64.60 2dkw h ILE 108 Cb 0.16 0.45 -0.08 0.00 -3.07 0.00 0.00 36.82 34.27 2dkw h ILE 108 CO -0.21 0.01 0.14 0.00 -0.69 0.00 0.00 178.15 177.41 2dkw h ALA 109 N -0.45 0.72 0.45 1.87 0.00 -1.13 0.53 119.26 121.24 2dkw h ALA 109 Ca -0.08 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2dkw h ALA 109 Cb 0.62 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dkw h ALA 109 CO 0.13 -0.30 -0.21 0.00 0.00 0.00 0.00 179.25 178.87 2dkw h ALA 110 N 1.47 -0.87 -0.01 0.00 0.00 -0.65 -3.37 119.26 115.83 2dkw h ALA 110 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dkw h ALA 110 Cb 0.46 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dkw h ALA 110 CO -0.39 -0.83 0.00 0.39 0.00 0.00 0.00 179.25 178.42 2dkw n GLU 111 N -4.10 0.00 -1.04 0.00 1.02 0.82 -4.74 120.64 112.60 2dkw n GLU 111 Ca -0.07 0.60 -0.33 0.00 -0.02 0.00 0.00 57.16 57.33 2dkw n GLU 111 Cb 0.24 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 2dkw n GLU 111 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2dkw n LEU 112 N -2.19 -3.61 -4.38 -4.62 7.94 0.18 -4.98 117.00 105.34 2dkw n LEU 112 Ca 0.00 0.49 -0.26 0.00 -1.11 0.00 0.00 56.01 55.13 2dkw n LEU 112 Cb 0.00 -0.72 -0.12 0.00 0.53 0.00 0.00 43.42 43.10 2dkw n LEU 112 CO 0.00 -4.39 -0.53 -1.81 -1.11 0.00 0.00 177.39 169.54 2dkw s ASP 113 N -0.87 3.14 0.03 1.96 1.01 -1.26 -4.84 116.67 115.83 2dkw s ASP 113 Ca 0.47 -0.80 0.15 0.00 0.71 0.00 0.00 52.55 53.08 2dkw s ASP 113 Cb -0.38 -0.21 0.64 0.00 1.01 0.00 0.00 42.92 43.99 2dkw s ASP 113 CO 0.61 0.11 1.48 -0.81 0.21 0.00 0.00 175.17 176.76 2dkw n PRO 114 N 0.62 0.02 -0.10 8.23 -0.04 -1.26 -1.54 135.00 140.93 2dkw n PRO 114 Ca -0.16 0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 2dkw n PRO 114 Cb 0.55 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.57 0.67 0.02 0.54 0.28 -1.26 -4.09 120.64 115.23 2dkw n GLU 115 Ca 0.03 0.14 -0.18 0.00 -0.16 0.00 0.00 57.16 56.99 2dkw n GLU 115 Cb 0.17 -1.55 -0.08 0.00 1.43 0.00 0.00 31.44 31.41 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 0.01 1.01 -0.91 -1.84 3.04 -1.94 -3.24 116.94 113.06 2dkw h PHE 116 Ca -0.55 -0.50 0.03 0.00 3.98 0.00 0.00 57.97 60.94 2dkw h PHE 116 Cb 1.98 -0.13 -0.05 0.00 2.56 0.00 0.00 35.95 40.30 2dkw h PHE 116 CO 0.03 1.33 0.59 -0.97 -2.02 0.00 0.00 178.31 177.28 2dkw h ASN 117 N 0.44 0.99 0.42 0.41 -1.24 -1.50 0.30 115.58 115.39 2dkw h ASN 117 Ca -0.09 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.91 2dkw h ASN 117 Cb 1.56 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.38 2dkw h ASN 117 CO 0.18 0.69 0.00 0.11 -1.29 0.00 0.00 177.43 177.12 2dkw h LYS 118 N 1.16 0.00 0.01 6.67 1.57 -1.70 -2.61 116.57 121.67 2dkw h LYS 118 Ca 0.36 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.92 2dkw h LYS 118 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2dkw h LYS 118 CO -0.11 0.00 -1.19 -0.07 -0.57 0.00 0.00 179.45 177.50 2dkw h LEU 119 N 0.00 0.03 -0.67 2.94 3.38 -1.02 -3.05 115.31 116.94 2dkw h LEU 119 Ca 0.00 -0.59 0.10 0.00 0.09 0.00 0.00 57.88 57.48 2dkw h LEU 119 Cb 0.21 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2dkw h LEU 119 CO 0.00 1.47 0.29 0.00 0.09 0.00 0.00 178.44 180.29 2dkw h GLU 121 N 0.49 0.00 -0.38 0.00 4.11 -1.64 -3.14 114.58 114.01 2dkw h GLU 121 Ca 0.34 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.88 2dkw h GLU 121 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2dkw h GLU 121 CO -0.30 0.15 0.30 1.49 0.07 0.00 0.00 179.01 180.71 2dkw h GLU 122 N 0.00 0.00 0.03 1.06 4.81 -0.79 -0.16 114.58 119.53 2dkw h GLU 122 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 2dkw h GLU 122 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2dkw h GLU 122 CO 0.02 0.00 -1.01 0.82 -0.73 0.00 0.00 179.01 178.11 2dkw h ILE 123 N 0.00 1.41 -0.43 2.32 2.04 -1.53 -2.79 117.51 118.54 2dkw h ILE 123 Ca 0.18 -2.56 0.01 0.00 1.00 0.00 0.00 64.86 63.49 2dkw h ILE 123 Cb 0.77 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 2dkw h ILE 123 CO -0.00 0.76 0.29 0.50 0.00 0.00 0.00 178.15 179.70 2dkw h LYS 124 N 0.20 0.56 0.04 2.37 3.64 -1.17 -0.63 116.57 121.57 2dkw h LYS 124 Ca -0.09 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2dkw h LYS 124 Cb 1.66 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2dkw h LYS 124 CO 0.17 0.37 -0.02 1.49 -2.27 0.00 0.00 179.45 179.20 2dkw h GLU 125 N 0.58 -0.05 -0.92 1.90 4.57 -1.52 -3.35 114.58 115.80 2dkw h GLU 125 Ca 0.16 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.61 2dkw h GLU 125 Cb -0.05 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 28.40 2dkw h GLU 125 CO -0.04 -0.03 0.28 0.77 -1.18 0.00 0.00 179.01 178.81 2dkw h SER 126 N -0.43 0.04 -6.47 1.04 0.02 -1.52 -3.46 113.55 102.77 2dkw h SER 126 Ca -0.01 0.21 -0.36 0.00 -0.84 0.00 0.00 61.79 60.80 2dkw h SER 126 Cb 0.04 0.27 0.02 0.00 0.14 0.00 0.00 62.40 62.87 2dkw h SER 126 CO 0.01 -0.19 -1.17 0.61 -1.14 0.00 0.00 176.83 174.95 2dkw n GLY 127 N -1.37 0.07 3.56 -3.77 0.00 -0.25 -4.75 105.19 98.68 2dkw n GLY 127 Ca 0.24 1.14 -0.39 0.00 0.00 0.00 0.00 46.02 47.01 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 -2.41 2.72 0.52 1.61 0.04 -1.26 -4.98 135.00 131.24 2dkw s PRO 128 Ca 0.37 0.70 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2dkw s PRO 128 Cb -0.04 -4.36 0.03 0.00 0.04 0.00 0.00 34.50 30.17 2dkw s PRO 128 CO 0.84 -2.62 0.73 -1.54 0.04 0.00 0.00 177.00 174.45 2dkw s SER 129 N 7.81 5.36 0.26 6.66 1.04 -1.26 -4.99 113.70 128.58 2dkw s SER 129 Ca 0.68 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.97 2dkw s SER 129 Cb -0.14 -0.83 0.52 0.00 0.10 0.00 0.00 66.02 65.67 2dkw s SER 129 CO 0.22 -1.06 1.63 0.28 0.98 0.00 0.00 173.24 175.30 2dkw h SER 130 N 0.19 -0.28 0.00 7.02 0.02 -2.04 -3.52 113.55 114.94 2dkw h SER 130 Ca -0.42 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2dkw h SER 130 Cb 1.29 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2dkw h SER 130 CO 0.51 -0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.62