#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 7.58 -0.31 1.61 0.01 -1.26 -5.01 113.70 116.32 2dkw s SER 2 Ca 0.00 1.89 -0.26 0.00 1.31 0.00 0.00 55.95 58.89 2dkw s SER 2 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.64 2dkw s SER 2 CO 0.00 0.06 0.91 -0.44 0.41 0.00 0.00 173.24 174.18 2dkw s SER 3 N -0.68 6.77 0.15 2.44 0.01 -1.26 -5.04 113.70 116.10 2dkw s SER 3 Ca 0.44 0.81 0.10 0.00 1.31 0.00 0.00 55.95 58.61 2dkw s SER 3 Cb -0.25 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 2dkw s SER 3 CO 0.31 -0.73 -0.23 -0.83 0.41 0.00 0.00 173.24 172.18 2dkw s GLY 4 N 1.63 1.51 0.00 3.44 0.00 -1.26 -5.15 107.32 107.50 2dkw s GLY 4 Ca 0.38 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.62 2dkw s GLY 4 CO 0.14 -1.50 -0.04 -1.35 0.00 0.00 0.00 173.10 170.34 2dkw s SER 5 N -2.38 0.45 0.88 1.64 1.04 -1.26 -4.94 113.70 109.13 2dkw s SER 5 Ca 0.15 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 2dkw s SER 5 Cb -0.08 -0.03 0.13 0.00 0.10 0.00 0.00 66.02 66.13 2dkw s SER 5 CO 0.07 0.01 1.22 -0.94 0.98 0.00 0.00 173.24 174.57 2dkw s SER 6 N -0.28 3.89 0.00 7.02 1.04 -1.26 -4.29 113.70 119.81 2dkw s SER 6 Ca -0.00 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2dkw s SER 6 Cb -0.03 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2dkw s SER 6 CO -0.00 -2.28 0.00 0.61 0.98 0.00 0.00 173.24 172.55 2dkw n GLY 7 N -3.29 2.92 0.09 7.32 0.00 -1.26 -4.74 105.19 106.23 2dkw n GLY 7 Ca 0.10 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 -0.97 1.61 2.35 -2.02 -3.36 115.58 113.18 2dkw h ASN 8 Ca 0.00 -0.40 0.23 0.00 -0.55 0.00 0.00 56.30 55.58 2dkw h ASN 8 Cb 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.19 2dkw h ASN 8 CO 0.00 1.14 -0.12 0.41 -1.65 0.00 0.00 177.43 177.21 2dkw n THR 9 N -4.54 -0.41 -0.18 2.81 -1.04 -1.26 0.84 114.28 110.50 2dkw n THR 9 Ca -0.19 2.19 -0.01 0.00 -2.04 0.00 0.00 64.05 63.99 2dkw n THR 9 Cb 0.48 -3.11 0.09 0.00 -1.82 0.00 0.00 70.33 65.97 2dkw n THR 9 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2dkw h LEU 10 N 0.00 0.04 -0.63 -4.42 -0.00 -1.93 -1.92 115.31 106.45 2dkw h LEU 10 Ca 0.53 0.10 0.12 0.00 -0.00 0.00 0.00 57.88 58.63 2dkw h LEU 10 Cb 0.95 0.12 -0.12 0.00 -0.00 0.00 0.00 40.66 41.62 2dkw h LEU 10 CO -0.96 0.04 -0.21 -0.09 -0.00 0.00 0.00 178.44 177.22 2dkw h ARG 11 N 0.27 -0.05 0.33 1.13 2.43 0.29 0.12 114.38 118.91 2dkw h ARG 11 Ca 0.28 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2dkw h ARG 11 Cb 0.39 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2dkw h ARG 11 CO -0.35 -0.03 -0.50 0.93 -1.51 0.00 0.00 179.97 178.51 2dkw h GLU 12 N -0.05 -0.84 -0.83 0.20 4.39 -1.24 -2.20 114.58 114.02 2dkw h GLU 12 Ca 0.29 0.06 0.15 0.00 0.34 0.00 0.00 59.36 60.20 2dkw h GLU 12 Cb 0.50 0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.24 2dkw h GLU 12 CO -0.67 -0.56 0.39 1.25 -1.16 0.00 0.00 179.01 178.26 2dkw h LEU 13 N -0.87 0.42 -0.52 1.33 5.85 -1.18 0.18 115.31 120.52 2dkw h LEU 13 Ca -0.04 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.89 2dkw h LEU 13 Cb 0.80 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 2dkw h LEU 13 CO -0.15 0.16 -0.19 -0.09 -0.34 0.00 0.00 178.44 177.82 2dkw h ARG 14 N 0.54 -0.07 -0.05 1.25 2.43 -0.17 0.19 114.38 118.49 2dkw h ARG 14 Ca 0.46 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.53 2dkw h ARG 14 Cb 0.70 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2dkw h ARG 14 CO -0.40 -0.05 -0.38 -0.07 -1.51 0.00 0.00 179.97 177.56 2dkw h LEU 15 N -0.07 0.43 -0.23 3.80 3.38 -0.86 -2.52 115.31 119.24 2dkw h LEU 15 Ca 0.25 -0.68 0.06 0.00 0.09 0.00 0.00 57.88 57.59 2dkw h LEU 15 Cb 0.45 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 2dkw h LEU 15 CO -0.57 1.04 -0.39 0.15 0.09 0.00 0.00 178.44 178.76 2dkw h PHE 16 N -0.15 -1.11 0.00 1.13 3.57 -0.08 0.39 116.94 120.69 2dkw h PHE 16 Ca -0.03 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2dkw h PHE 16 Cb 1.06 0.52 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2dkw h PHE 16 CO 0.14 -0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.06 2dkw n LEU 17 N -5.42 0.24 -0.29 0.59 4.77 0.60 -2.03 117.00 115.46 2dkw n LEU 17 Ca -0.02 0.71 0.15 0.00 -0.03 0.00 0.00 56.01 56.82 2dkw n LEU 17 Cb 0.35 -0.33 0.29 0.00 -2.33 0.00 0.00 43.42 41.40 2dkw n LEU 17 CO 0.10 -0.33 0.71 -1.14 -1.33 0.00 0.00 177.39 175.40 2dkw n ARG 18 N -1.49 -0.06 -0.27 3.23 0.63 -0.95 0.22 116.66 117.97 2dkw n ARG 18 Ca 0.00 1.24 -0.03 0.00 -0.92 0.00 0.00 57.85 58.15 2dkw n ARG 18 Cb 0.00 -2.02 0.09 0.00 0.45 0.00 0.00 32.46 30.99 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 0.79 0.68 6.15 1.82 -0.23 0.36 116.42 125.99 2dkw h ASP 19 Ca 0.54 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 57.15 2dkw h ASP 19 Cb 1.19 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 41.04 2dkw h ASP 19 CO -0.77 0.54 -0.33 0.58 -1.61 0.00 0.00 179.24 177.66 2dkw h VAL 20 N 0.93 0.00 -0.19 2.25 2.07 0.33 -3.11 116.25 118.52 2dkw h VAL 20 Ca 0.30 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.69 2dkw h VAL 20 Cb 0.02 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.72 2dkw h VAL 20 CO -0.11 0.00 -0.30 0.74 0.02 0.00 0.00 177.57 177.92 2dkw h THR 21 N -1.11 0.31 -0.73 2.57 2.02 -1.25 -2.64 112.91 112.08 2dkw h THR 21 Ca -0.09 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.15 2dkw h THR 21 Cb 0.70 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 67.34 2dkw h THR 21 CO 0.15 0.00 -0.43 1.17 0.37 0.00 0.00 175.52 176.78 2dkw n LYS 22 N -5.40 -0.32 -0.26 6.66 3.00 0.11 0.62 118.16 122.57 2dkw n LYS 22 Ca -0.02 1.22 0.04 0.00 -0.00 0.00 0.00 58.31 59.55 2dkw n LYS 22 Cb 0.32 -1.79 0.14 0.00 0.00 0.00 0.00 35.03 33.70 2dkw n LYS 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2dkw h ARG 23 N 0.00 0.05 0.14 1.64 2.43 -1.40 0.13 114.38 117.37 2dkw h ARG 23 Ca 0.12 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2dkw h ARG 23 Cb 0.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2dkw h ARG 23 CO -0.69 0.04 -0.19 -0.07 -1.51 0.00 0.00 179.97 177.55 2dkw h LEU 24 N 0.06 -0.52 0.13 3.80 3.38 0.28 -0.70 115.31 121.74 2dkw h LEU 24 Ca 0.41 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 2dkw h LEU 24 Cb 0.69 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2dkw h LEU 24 CO -0.73 -0.27 -0.08 0.00 0.09 0.00 0.00 178.44 177.45 2dkw h ALA 25 N 0.42 -0.97 -0.97 1.53 0.00 0.46 -3.09 119.26 116.63 2dkw h ALA 25 Ca 0.02 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.08 2dkw h ALA 25 Cb 0.38 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 18.17 2dkw h ALA 25 CO -0.08 -0.96 -0.24 1.79 0.00 0.00 0.00 179.25 179.75 2dkw h THR 26 N -0.20 0.03 -2.15 0.00 1.35 -0.87 -3.33 112.91 107.73 2dkw h THR 26 Ca -0.02 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.24 2dkw h THR 26 Cb 0.16 0.03 0.06 0.00 -1.73 0.00 0.00 68.15 66.67 2dkw h THR 26 CO 0.02 0.00 0.74 0.47 -0.25 0.00 0.00 175.52 176.50 2dkw n ASP 27 N -5.61 2.83 -0.11 5.36 8.00 -0.27 -4.85 116.55 121.89 2dkw n ASP 27 Ca 0.15 1.09 0.08 0.00 0.71 0.00 0.00 54.79 56.82 2dkw n ASP 27 Cb 0.48 -1.38 0.41 0.00 -0.02 0.00 0.00 41.12 40.62 2dkw n ASP 27 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2dkw h LYS 28 N 5.75 0.59 -0.42 -1.24 3.64 -1.84 -2.23 116.57 120.83 2dkw h LYS 28 Ca -0.45 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 58.98 2dkw h LYS 28 Cb 1.27 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 2dkw h LYS 28 CO 0.87 0.39 -0.25 0.00 -2.27 0.00 0.00 179.45 178.19 2dkw h ARG 29 N 0.60 -0.16 -1.44 1.90 2.47 -1.89 -2.31 114.38 113.56 2dkw h ARG 29 Ca 0.27 0.01 -0.64 0.00 -1.26 0.00 0.00 59.98 58.35 2dkw h ARG 29 Cb 0.28 0.04 -0.36 0.00 -1.65 0.00 0.00 29.97 28.27 2dkw h ARG 29 CO -0.08 -0.11 -0.03 1.19 0.56 0.00 0.00 179.97 181.50 2dkw n PHE 30 N -5.40 3.15 -0.08 3.04 3.72 -0.95 -4.59 117.46 116.34 2dkw n PHE 30 Ca 0.02 -2.71 -0.06 0.00 -0.05 0.00 0.00 57.45 54.64 2dkw n PHE 30 Cb 0.31 -0.62 -0.16 0.00 -0.94 0.00 0.00 39.48 38.07 2dkw n PHE 30 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2dkw n ASN 31 N -0.60 0.01 0.29 4.37 2.85 -0.87 -3.95 115.26 117.36 2dkw n ASN 31 Ca 0.47 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 55.08 2dkw n ASN 31 Cb 0.60 1.17 0.85 0.00 1.24 0.00 0.00 39.78 43.63 2dkw n ASN 31 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 2dkw h ILE 32 N 0.00 0.59 0.20 -1.44 3.07 -1.81 -2.37 117.51 115.76 2dkw h ILE 32 Ca -0.45 -0.13 -0.28 0.00 1.55 0.00 0.00 64.86 65.55 2dkw h ILE 32 Cb 2.02 1.08 0.03 0.00 -0.27 0.00 0.00 36.82 39.69 2dkw h ILE 32 CO 0.02 0.03 -1.25 -0.26 -1.05 0.00 0.00 178.15 175.64 2dkw h PHE 33 N 0.00 0.79 -1.42 0.16 0.04 -1.92 -3.31 116.94 111.27 2dkw h PHE 33 Ca -0.00 -0.57 0.49 0.00 2.80 0.00 0.00 57.97 60.68 2dkw h PHE 33 Cb 0.08 -0.03 -0.14 0.00 2.20 0.00 0.00 35.95 38.06 2dkw h PHE 33 CO 0.00 1.48 0.92 0.45 -0.60 0.00 0.00 178.31 180.56 2dkw n SER 34 N -3.87 0.20 -4.82 2.17 2.88 -0.89 -4.34 113.62 104.94 2dkw n SER 34 Ca -0.17 1.37 -0.22 0.00 -1.33 0.00 0.00 58.87 58.52 2dkw n SER 34 Cb 0.99 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.74 2dkw n SER 34 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dkw s LYS 35 N -5.22 2.93 -0.25 -1.46 1.02 -1.24 -4.20 119.74 111.31 2dkw s LYS 35 Ca -0.07 -1.04 -0.29 0.00 0.02 0.00 0.00 55.97 54.59 2dkw s LYS 35 Cb 0.31 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 2dkw s LYS 35 CO 0.83 0.41 1.63 -1.25 -0.92 0.00 0.00 175.35 176.05 2dkw s PRO 36 N -3.81 3.70 -0.46 -1.68 0.04 -1.26 -4.90 135.00 126.63 2dkw s PRO 36 Ca 0.33 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 2dkw s PRO 36 Cb -0.08 -4.06 0.08 0.00 0.04 0.00 0.00 34.50 30.48 2dkw s PRO 36 CO 0.25 -1.41 2.71 1.33 0.04 0.00 0.00 177.00 179.92 2dkw n VAL 37 N 6.63 3.30 -4.32 -0.36 0.24 -1.26 -4.90 118.33 117.66 2dkw n VAL 37 Ca 0.19 -2.95 -0.17 0.00 -2.04 0.00 0.00 64.34 59.38 2dkw n VAL 37 Cb 0.46 -1.57 -0.10 0.00 -1.47 0.00 0.00 33.84 31.15 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 0.30 1.26 -0.10 -1.34 0.15 -1.26 -4.63 113.70 108.09 2dkw s SER 38 Ca 0.57 -1.37 -0.24 0.00 0.70 0.00 0.00 55.95 55.62 2dkw s SER 38 Cb 0.38 0.14 -0.28 0.00 -1.71 0.00 0.00 66.02 64.55 2dkw s SER 38 CO -0.21 -0.71 0.77 0.44 1.20 0.00 0.00 173.24 174.72 2dkw h ASP 39 N 2.39 0.26 -4.43 5.45 5.19 -1.99 -3.48 116.42 119.82 2dkw h ASP 39 Ca -0.38 -0.93 -0.29 0.00 -0.62 0.00 0.00 57.03 54.81 2dkw h ASP 39 Cb 1.24 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.63 2dkw h ASP 39 CO 0.61 1.28 -0.16 0.00 -3.12 0.00 0.00 179.24 177.86 2dkw n TYR 40 N -4.30 -0.56 0.00 4.55 9.36 -1.26 -5.06 117.16 119.89 2dkw n TYR 40 Ca -0.15 -1.15 0.00 0.00 3.32 0.00 0.00 57.90 59.92 2dkw n TYR 40 Cb 0.70 -0.20 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.00 -0.08 2.98 -0.00 -1.26 -4.73 117.00 113.91 2dkw n LEU 41 Ca -0.04 -0.28 -0.15 0.00 -0.00 0.00 0.00 56.01 55.54 2dkw n LEU 41 Cb 0.30 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.59 2dkw n LEU 41 CO 0.17 0.00 -1.08 1.21 -0.00 0.00 0.00 177.39 177.70 2dkw n GLU 42 N -1.02 0.68 0.16 1.47 4.07 -1.26 -4.16 120.64 120.58 2dkw n GLU 42 Ca 0.00 0.14 0.11 0.00 -0.06 0.00 0.00 57.16 57.35 2dkw n GLU 42 Cb 0.00 -1.59 0.57 0.00 -0.06 0.00 0.00 31.44 30.36 2dkw n GLU 42 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2dkw n VAL 43 N -3.11 1.00 -2.84 6.31 3.14 -1.26 -4.54 118.33 117.03 2dkw n VAL 43 Ca -0.35 0.64 -0.42 0.00 -2.96 0.00 0.00 64.34 61.25 2dkw n VAL 43 Cb 1.06 -1.63 -0.04 0.00 -1.06 0.00 0.00 33.84 32.17 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 -3.51 4.81 0.01 1.55 1.01 -1.26 -4.97 121.20 118.84 2dkw s ILE 44 Ca -0.01 1.67 -0.14 0.00 0.00 0.00 0.00 60.65 62.17 2dkw s ILE 44 Cb 0.07 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.30 2dkw s ILE 44 CO 0.24 -0.08 0.89 0.11 0.00 0.00 0.00 174.94 176.10 2dkw h LYS 45 N 7.58 -0.48 -3.25 2.79 1.79 -1.93 -3.39 116.57 119.68 2dkw h LYS 45 Ca -0.23 0.03 -0.67 0.00 -2.18 0.00 0.00 60.65 57.60 2dkw h LYS 45 Cb 1.09 0.11 -0.38 0.00 -1.58 0.00 0.00 32.23 31.47 2dkw h LYS 45 CO 0.89 -0.32 -0.34 -1.21 -1.08 0.00 0.00 179.45 177.39 2dkw s GLU 46 N -3.54 2.82 -0.28 3.15 0.41 -1.26 -5.06 118.70 114.93 2dkw s GLU 46 Ca -0.07 -3.20 -0.29 0.00 -0.41 0.00 0.00 54.97 51.00 2dkw s GLU 46 Cb 0.01 -3.69 -0.02 0.00 -1.78 0.00 0.00 34.13 28.65 2dkw s GLU 46 CO 0.22 -1.26 1.65 -1.25 -0.49 0.00 0.00 175.26 174.13 2dkw s PRO 47 N -1.21 3.61 -0.02 0.39 0.04 -1.26 -5.00 135.00 131.54 2dkw s PRO 47 Ca 0.25 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.83 2dkw s PRO 47 Cb -0.09 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.36 2dkw s PRO 47 CO -0.12 -1.52 -0.18 1.41 0.04 0.00 0.00 177.00 176.62 2dkw s MET 48 N 5.04 1.60 0.04 4.56 1.75 -1.26 -5.12 119.30 125.91 2dkw s MET 48 Ca 0.73 -0.65 -0.14 0.00 -1.25 0.00 0.00 55.69 54.38 2dkw s MET 48 Cb -0.23 -1.49 0.02 0.00 2.84 0.00 0.00 34.83 35.98 2dkw s MET 48 CO 0.31 0.35 0.32 -0.51 -0.65 0.00 0.00 175.02 174.84 2dkw s ASP 49 N -0.28 -0.15 0.28 1.11 1.11 -1.26 -4.86 116.67 112.61 2dkw s ASP 49 Ca 0.04 -0.14 0.01 0.00 0.18 0.00 0.00 52.55 52.64 2dkw s ASP 49 Cb -0.09 0.36 0.55 0.00 1.07 0.00 0.00 42.92 44.81 2dkw s ASP 49 CO 0.00 -0.60 1.81 -0.07 1.18 0.00 0.00 175.17 177.50 2dkw h LEU 50 N 3.27 0.82 -1.50 1.23 3.38 -1.79 -0.17 115.31 120.55 2dkw h LEU 50 Ca -0.31 0.06 0.27 0.00 0.09 0.00 0.00 57.88 57.99 2dkw h LEU 50 Cb 1.20 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 2dkw h LEU 50 CO 0.45 0.41 0.68 0.28 0.09 0.00 0.00 178.44 180.36 2dkw h SER 51 N 0.89 0.36 1.63 -0.43 0.02 -1.94 0.81 113.55 114.89 2dkw h SER 51 Ca 0.49 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.43 2dkw h SER 51 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2dkw h SER 51 CO -0.29 0.08 -0.34 0.00 -1.14 0.00 0.00 176.83 175.14 2dkw h THR 52 N 0.32 0.59 -0.09 -2.27 1.03 -1.41 -2.94 112.91 108.15 2dkw h THR 52 Ca 0.57 -1.81 -0.09 0.00 -0.01 0.00 0.00 66.41 65.07 2dkw h THR 52 Cb 1.58 2.27 0.00 0.00 -1.07 0.00 0.00 68.15 70.94 2dkw h THR 52 CO -0.23 0.33 -0.29 0.58 -0.01 0.00 0.00 175.52 175.90 2dkw h VAL 53 N 0.00 1.41 0.02 0.00 2.07 0.80 -2.28 116.25 118.27 2dkw h VAL 53 Ca -0.00 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 2dkw h VAL 53 Cb 1.25 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 2dkw h VAL 53 CO 0.04 0.48 -0.01 0.40 0.02 0.00 0.00 177.57 178.50 2dkw h ILE 54 N -0.11 1.24 -0.63 4.57 5.03 -1.38 -2.79 117.51 123.44 2dkw h ILE 54 Ca -0.01 -0.83 0.07 0.00 -0.12 0.00 0.00 64.86 63.97 2dkw h ILE 54 Cb 0.92 1.80 -0.06 0.00 -3.03 0.00 0.00 36.82 36.45 2dkw h ILE 54 CO 0.06 0.21 0.32 0.74 -0.68 0.00 0.00 178.15 178.80 2dkw h THR 55 N -0.39 0.91 -0.09 -0.27 2.02 -1.62 -2.45 112.91 111.02 2dkw h THR 55 Ca -0.00 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.01 2dkw h THR 55 Cb 0.37 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 2dkw h THR 55 CO 0.00 0.11 -0.15 0.11 0.37 0.00 0.00 175.52 175.96 2dkw h LYS 56 N 0.59 -0.20 -0.55 6.66 1.57 -1.39 -0.36 116.57 122.89 2dkw h LYS 56 Ca 0.29 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.19 2dkw h LYS 56 Cb 0.23 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.50 2dkw h LYS 56 CO -0.21 -0.13 0.02 0.82 -0.57 0.00 0.00 179.45 179.37 2dkw h ILE 57 N -0.21 0.57 0.00 1.86 2.04 -1.17 0.52 117.51 121.12 2dkw h ILE 57 Ca 0.08 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2dkw h ILE 57 Cb 0.33 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2dkw h ILE 57 CO -0.22 0.02 0.00 -0.67 0.00 0.00 0.00 178.15 177.29 2dkw n ASP 58 N -5.24 0.54 -1.91 1.72 -0.08 -0.91 -2.29 116.55 108.38 2dkw n ASP 58 Ca 0.07 0.63 -0.08 0.00 -1.51 0.00 0.00 54.79 53.90 2dkw n ASP 58 Cb 0.30 -0.75 0.25 0.00 2.34 0.00 0.00 41.12 43.27 2dkw n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2dkw n LYS 59 N -2.09 3.19 -4.33 -0.67 4.76 0.18 -4.90 118.16 114.29 2dkw n LYS 59 Ca 0.02 -2.69 -0.37 0.00 -2.87 0.00 0.00 58.31 52.40 2dkw n LYS 59 Cb 0.22 -2.10 -0.06 0.00 -1.84 0.00 0.00 35.03 31.26 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 -0.24 -1.45 -0.11 2.13 8.25 -0.97 -4.84 115.22 117.99 2dkw n HIS 60 Ca 0.39 0.73 -0.22 0.00 -0.26 0.00 0.00 57.72 58.36 2dkw n HIS 60 Cb 1.32 -2.61 -0.11 0.00 1.12 0.00 0.00 29.99 29.71 2dkw n HIS 60 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2dkw n ASN 61 N -2.65 1.87 -4.69 0.41 4.13 -0.99 -4.87 115.26 108.47 2dkw n ASN 61 Ca -0.01 0.42 -0.42 0.00 1.68 0.00 0.00 54.58 56.25 2dkw n ASN 61 Cb 0.53 -0.95 -0.03 0.00 -1.54 0.00 0.00 39.78 37.79 2dkw n ASN 61 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2dkw s TYR 62 N -2.38 3.49 -0.27 3.10 2.02 -1.26 -4.93 117.35 117.12 2dkw s TYR 62 Ca -0.30 1.57 -0.09 0.00 -0.37 0.00 0.00 57.07 57.88 2dkw s TYR 62 Cb 0.07 -3.21 -0.14 0.00 -0.40 0.00 0.00 41.96 38.28 2dkw s TYR 62 CO 0.57 -0.30 -0.27 1.28 -1.57 0.00 0.00 175.55 175.25 2dkw n LEU 63 N 5.09 2.32 -4.95 -1.29 4.77 -1.26 -4.96 117.00 116.73 2dkw n LEU 63 Ca 0.09 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 56.04 2dkw n LEU 63 Cb 0.48 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2dkw n LEU 63 CO 0.52 0.70 0.12 0.42 -1.33 0.00 0.00 177.39 177.82 2dkw s THR 64 N -2.51 2.46 -0.34 -5.08 -4.23 -1.26 -4.65 115.64 100.03 2dkw s THR 64 Ca -0.37 -1.21 0.22 0.00 -1.18 0.00 0.00 61.69 59.15 2dkw s THR 64 Cb 0.12 -2.68 0.18 0.00 1.34 0.00 0.00 72.50 71.47 2dkw s THR 64 CO 0.54 0.00 1.37 0.00 -0.54 0.00 0.00 174.62 175.98 2dkw h ALA 65 N 0.71 0.79 0.25 3.99 0.00 -1.95 -3.33 119.26 119.72 2dkw h ALA 65 Ca -0.38 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.15 2dkw h ALA 65 Cb 1.28 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.11 2dkw h ALA 65 CO 0.51 0.06 -1.46 -0.22 0.00 0.00 0.00 179.25 178.13 2dkw h LYS 66 N 0.00 0.54 -0.01 0.00 3.64 -1.99 -3.24 116.57 115.52 2dkw h LYS 66 Ca -0.01 -0.92 0.00 0.00 -1.27 0.00 0.00 60.65 58.46 2dkw h LYS 66 Cb 1.04 0.34 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2dkw h LYS 66 CO 0.00 1.44 0.04 0.22 -2.27 0.00 0.00 179.45 178.88 2dkw h ASP 67 N 0.13 0.00 0.67 4.20 3.58 -1.98 -0.64 116.42 122.38 2dkw h ASP 67 Ca -0.26 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.93 2dkw h ASP 67 Cb 2.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.21 2dkw h ASP 67 CO 0.27 0.00 -1.22 0.15 -2.88 0.00 0.00 179.24 175.56 2dkw h PHE 68 N 0.00 0.44 0.28 0.28 3.57 -1.68 -3.35 116.94 116.47 2dkw h PHE 68 Ca 0.00 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 2dkw h PHE 68 Cb 0.07 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2dkw h PHE 68 CO 0.00 1.25 -0.13 -0.07 -2.23 0.00 0.00 178.31 177.13 2dkw h LEU 69 N 0.07 -0.31 -0.85 0.59 3.38 -1.18 -3.06 115.31 113.94 2dkw h LEU 69 Ca -0.12 -0.14 0.25 0.00 0.09 0.00 0.00 57.88 57.96 2dkw h LEU 69 Cb 1.95 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 42.62 2dkw h LEU 69 CO 0.19 -0.03 0.09 0.29 0.09 0.00 0.00 178.44 179.07 2dkw n LYS 70 N -5.15 -0.06 -0.15 1.13 4.01 -1.11 0.18 118.16 117.00 2dkw n LYS 70 Ca -0.10 1.25 -0.06 0.00 -0.51 0.00 0.00 58.31 58.89 2dkw n LYS 70 Cb 0.23 -2.03 0.03 0.00 -0.51 0.00 0.00 35.03 32.75 2dkw n LYS 70 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2dkw h ASP 71 N 0.00 0.44 -0.85 4.39 1.82 -1.68 -2.21 116.42 118.33 2dkw h ASP 71 Ca 0.55 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 57.18 2dkw h ASP 71 Cb 1.19 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 41.07 2dkw h ASP 71 CO -0.77 0.31 0.50 0.40 -1.61 0.00 0.00 179.24 178.07 2dkw h ILE 72 N 0.55 1.24 0.00 2.25 1.08 0.18 -1.56 117.51 121.26 2dkw h ILE 72 Ca 0.19 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 64.09 2dkw h ILE 72 Cb 0.02 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 33.81 2dkw h ILE 72 CO -0.09 0.25 -0.15 -0.78 -0.69 0.00 0.00 178.15 176.70 2dkw h ASP 73 N 1.18 0.00 -0.14 1.72 3.58 -0.67 -2.61 116.42 119.48 2dkw h ASP 73 Ca 0.31 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.62 2dkw h ASP 73 Cb -0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2dkw h ASP 73 CO -0.06 0.15 -0.46 0.25 -2.88 0.00 0.00 179.24 176.24 2dkw h LEU 74 N 0.00 0.65 0.30 2.28 5.85 -0.77 -3.12 115.31 120.50 2dkw h LEU 74 Ca -0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 2dkw h LEU 74 Cb 0.29 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2dkw h LEU 74 CO 0.02 1.14 -0.17 0.40 -0.34 0.00 0.00 178.44 179.48 2dkw h ILE 75 N 0.19 0.00 -0.98 4.05 2.04 -1.14 0.12 117.51 121.79 2dkw h ILE 75 Ca -0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.02 2dkw h ILE 75 Cb 1.09 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.99 2dkw h ILE 75 CO 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.95 2dkw h SER 77 N 0.00 -0.03 -0.60 0.00 0.87 -1.46 -3.07 113.55 109.25 2dkw h SER 77 Ca 0.42 -0.06 0.10 0.00 -1.23 0.00 0.00 61.79 61.02 2dkw h SER 77 Cb 0.66 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 62.52 2dkw h SER 77 CO -0.99 0.04 -0.40 0.78 -0.53 0.00 0.00 176.83 175.72 2dkw h ASN 78 N -0.10 -1.40 -0.04 6.23 4.21 0.23 -2.48 115.58 122.23 2dkw h ASN 78 Ca -0.00 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.75 2dkw h ASN 78 Cb 0.09 0.65 -0.01 0.00 -1.12 0.00 0.00 38.32 37.94 2dkw h ASN 78 CO 0.01 -0.32 -0.04 0.00 -1.29 0.00 0.00 177.43 175.78 2dkw h ALA 79 N 0.77 -0.23 -0.75 -0.83 0.00 -1.21 0.23 119.26 117.24 2dkw h ALA 79 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2dkw h ALA 79 Cb 0.56 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 2dkw h ALA 79 CO -0.70 -0.26 -0.36 1.28 0.00 0.00 0.00 179.25 179.21 2dkw n LEU 80 N -2.98 -0.62 0.41 0.00 4.77 -0.96 -0.62 117.00 116.99 2dkw n LEU 80 Ca -0.00 1.32 -0.18 0.00 -0.03 0.00 0.00 56.01 57.11 2dkw n LEU 80 Cb 0.02 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2dkw n LEU 80 CO -0.00 -1.13 0.53 -0.08 -1.33 0.00 0.00 177.39 175.38 2dkw h GLU 81 N 0.00 -1.09 -5.65 3.23 4.81 -1.01 -3.35 114.58 111.52 2dkw h GLU 81 Ca 0.20 0.07 -0.63 0.00 -0.13 0.00 0.00 59.36 58.88 2dkw h GLU 81 Cb 0.38 0.25 -0.13 0.00 0.63 0.00 0.00 28.75 29.88 2dkw h GLU 81 CO -0.72 -0.73 0.98 0.71 -0.73 0.00 0.00 179.01 178.51 2dkw s TYR 82 N -5.68 2.71 -0.29 0.92 1.51 0.73 -4.92 117.35 112.32 2dkw s TYR 82 Ca -0.18 -0.81 -0.13 0.00 -1.01 0.00 0.00 57.07 54.95 2dkw s TYR 82 Cb 0.03 -4.46 0.13 0.00 -0.11 0.00 0.00 41.96 37.55 2dkw s TYR 82 CO 0.55 -1.75 0.75 1.21 -1.11 0.00 0.00 175.55 175.20 2dkw s ASN 83 N 4.03 -0.94 -0.05 2.29 3.84 -1.22 -4.58 114.94 118.31 2dkw s ASN 83 Ca 0.34 1.35 -0.30 0.00 0.21 0.00 0.00 52.86 54.47 2dkw s ASN 83 Cb -0.07 1.87 -0.05 0.00 -0.55 0.00 0.00 41.25 42.45 2dkw s ASN 83 CO -0.01 -0.20 1.49 -2.16 -2.79 0.00 0.00 177.10 173.44 2dkw s PRO 84 N 2.37 4.22 -1.11 0.43 0.04 -1.26 -4.95 135.00 134.74 2dkw s PRO 84 Ca -0.07 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 2dkw s PRO 84 Cb -0.08 -3.79 0.19 0.00 0.04 0.00 0.00 34.50 30.85 2dkw s PRO 84 CO -0.19 -0.73 1.27 0.16 0.04 0.00 0.00 177.00 177.55 2dkw s ASP 85 N 2.54 7.01 0.04 6.66 -4.77 -1.26 -4.58 116.67 122.31 2dkw s ASP 85 Ca 0.66 -2.89 0.00 0.00 -3.30 0.00 0.00 52.55 47.02 2dkw s ASP 85 Cb -0.31 -2.35 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2dkw s ASP 85 CO 0.26 -0.71 0.00 0.29 0.70 0.00 0.00 175.17 175.70 2dkw n LYS 86 N 5.17 0.00 -3.59 2.11 4.76 -1.26 -5.08 118.16 120.27 2dkw n LYS 86 Ca 0.30 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.44 2dkw n LYS 86 Cb 0.44 -0.35 -0.04 0.00 -1.84 0.00 0.00 35.03 33.24 2dkw n LYS 86 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2dkw s ASP 87 N -5.19 6.47 0.44 4.39 1.47 -1.26 -4.99 116.67 118.01 2dkw s ASP 87 Ca 0.00 0.60 0.30 0.00 1.18 0.00 0.00 52.55 54.63 2dkw s ASP 87 Cb 0.00 -2.09 1.26 0.00 -0.34 0.00 0.00 42.92 41.74 2dkw s ASP 87 CO 0.00 -0.03 1.89 1.55 0.68 0.00 0.00 175.17 179.26 2dkw h PRO 88 N 2.38 0.00 -0.53 2.11 0.13 -1.98 -3.06 132.00 131.05 2dkw h PRO 88 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2dkw h PRO 88 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2dkw h PRO 88 CO 0.70 0.00 0.18 0.78 -0.23 0.00 0.00 178.00 179.43 2dkw h GLY 89 N 2.05 0.84 -0.87 1.56 0.00 -2.00 -2.84 103.07 101.81 2dkw h GLY 89 Ca 0.00 -0.44 0.38 0.00 0.00 0.00 0.00 47.33 47.27 2dkw h GLY 89 CO 0.00 0.42 0.49 1.29 0.00 0.00 0.00 176.54 178.74 2dkw h ASP 90 N 0.77 0.28 -0.71 0.19 2.03 -1.89 -0.15 116.42 116.94 2dkw h ASP 90 Ca 0.18 0.24 0.12 0.00 -0.73 0.00 0.00 57.03 56.84 2dkw h ASP 90 Cb 0.21 0.26 -0.12 0.00 -0.83 0.00 0.00 39.33 38.85 2dkw h ASP 90 CO -0.01 -0.35 -0.25 0.29 -1.03 0.00 0.00 179.24 177.89 2dkw n LYS 91 N -5.23 -0.14 0.07 4.15 4.76 -1.07 0.16 118.16 120.85 2dkw n LYS 91 Ca 0.35 1.09 -0.16 0.00 -2.87 0.00 0.00 58.31 56.72 2dkw n LYS 91 Cb 1.15 -1.62 -0.10 0.00 -1.84 0.00 0.00 35.03 32.62 2dkw n LYS 91 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2dkw h ILE 92 N 0.00 0.00 -0.63 -0.18 2.04 -1.26 -2.46 117.51 115.02 2dkw h ILE 92 Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.21 2dkw h ILE 92 Cb 0.45 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.44 2dkw h ILE 92 CO -0.71 0.00 -0.30 -0.38 0.00 0.00 0.00 178.15 176.76 2dkw n ILE 93 N -5.43 -0.37 -0.35 -0.67 2.08 0.12 0.62 119.36 115.36 2dkw n ILE 93 Ca -0.08 1.49 -0.04 0.00 0.56 0.00 0.00 62.75 64.69 2dkw n ILE 93 Cb 0.40 -1.92 -0.00 0.00 -0.75 0.00 0.00 39.64 37.37 2dkw n ILE 93 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2dkw n ARG 94 N -4.86 -0.27 -0.05 0.38 0.63 -0.93 -0.45 116.66 111.12 2dkw n ARG 94 Ca 0.04 1.37 -0.14 0.00 -0.92 0.00 0.00 57.85 58.21 2dkw n ARG 94 Cb 0.21 -2.03 -0.08 0.00 0.45 0.00 0.00 32.46 31.02 2dkw n ARG 94 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2dkw h HIS 95 N 0.00 0.42 -0.83 -0.14 2.76 0.11 -3.26 115.15 114.21 2dkw h HIS 95 Ca 0.26 -0.14 0.16 0.00 -2.20 0.00 0.00 60.37 58.45 2dkw h HIS 95 Cb 0.48 -0.08 -0.15 0.00 1.55 0.00 0.00 27.41 29.21 2dkw h HIS 95 CO -0.83 0.79 -0.26 -0.09 -1.30 0.00 0.00 177.93 176.24 2dkw h ARG 96 N -0.06 -0.03 -0.60 5.26 9.65 0.14 0.05 114.38 128.80 2dkw h ARG 96 Ca 0.01 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 2dkw h ARG 96 Cb 0.74 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.22 2dkw h ARG 96 CO 0.04 -0.02 -0.45 0.00 2.80 0.00 0.00 179.97 182.35 2dkw h ALA 97 N 1.64 -0.36 0.17 2.80 0.00 -0.97 0.11 119.26 122.65 2dkw h ALA 97 Ca 0.37 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.40 2dkw h ALA 97 Cb 0.61 0.99 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2dkw h ALA 97 CO -0.86 -0.84 -0.23 0.00 0.00 0.00 0.00 179.25 177.31 2dkw h THR 99 N -0.46 0.35 -0.80 0.00 2.02 -0.34 0.25 112.91 113.93 2dkw h THR 99 Ca 0.01 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.25 2dkw h THR 99 Cb 0.46 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 66.98 2dkw h THR 99 CO -0.09 0.03 0.43 0.25 0.37 0.00 0.00 175.52 176.50 2dkw h LEU 100 N 0.14 0.58 0.63 2.58 5.85 -0.59 -1.44 115.31 123.06 2dkw h LEU 100 Ca 0.44 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.19 2dkw h LEU 100 Cb 0.81 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.80 2dkw h LEU 100 CO -0.65 0.31 -0.30 0.50 -0.34 0.00 0.00 178.44 177.96 2dkw h LYS 101 N 0.70 -0.81 -0.91 1.25 3.64 -0.33 -2.40 116.57 117.71 2dkw h LYS 101 Ca 0.40 0.06 0.21 0.00 -1.27 0.00 0.00 60.65 60.05 2dkw h LYS 101 Cb 0.43 0.18 -0.17 0.00 -0.41 0.00 0.00 32.23 32.27 2dkw h LYS 101 CO -0.28 -0.54 -0.08 0.22 -2.27 0.00 0.00 179.45 176.50 2dkw h ASP 102 N -1.08 -0.61 0.75 4.20 3.58 -1.06 0.16 116.42 122.37 2dkw h ASP 102 Ca -0.09 0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 2dkw h ASP 102 Cb 0.65 0.49 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2dkw h ASP 102 CO 0.14 -0.29 -0.50 0.74 -2.88 0.00 0.00 179.24 176.45 2dkw h THR 103 N 0.03 0.00 0.25 2.25 2.02 -1.26 0.44 112.91 116.63 2dkw h THR 103 Ca 0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.68 2dkw h THR 103 Cb 0.88 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2dkw h THR 103 CO -0.87 0.00 -0.52 0.00 0.37 0.00 0.00 175.52 174.50 2dkw h ALA 104 N -1.11 -1.03 -0.91 6.16 0.00 -0.60 -0.62 119.26 121.14 2dkw h ALA 104 Ca -0.10 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.89 2dkw h ALA 104 Cb 0.96 0.84 -0.12 0.00 0.00 0.00 0.00 17.79 19.47 2dkw h ALA 104 CO 0.07 -1.14 0.45 0.45 0.00 0.00 0.00 179.25 179.08 2dkw h HIS 105 N -0.84 0.76 -0.15 0.00 -0.00 -0.75 0.48 115.15 114.65 2dkw h HIS 105 Ca -0.02 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 2dkw h HIS 105 Cb 0.80 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 2dkw h HIS 105 CO -0.39 0.02 -0.12 0.00 -0.00 0.00 0.00 177.93 177.44 2dkw h ALA 106 N 1.69 1.51 -0.14 2.45 0.00 -0.05 -1.42 119.26 123.30 2dkw h ALA 106 Ca 0.56 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 2dkw h ALA 106 Cb 1.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2dkw h ALA 106 CO -0.48 0.35 -0.78 0.82 0.00 0.00 0.00 179.25 179.16 2dkw h ILE 107 N 0.23 1.29 0.15 0.00 2.04 0.14 -2.22 117.51 119.14 2dkw h ILE 107 Ca 0.05 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 63.90 2dkw h ILE 107 Cb 0.36 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2dkw h ILE 107 CO 0.02 0.63 -0.07 0.40 0.00 0.00 0.00 178.15 179.13 2dkw h ILE 108 N 0.50 1.00 -0.09 -0.67 1.08 -0.85 -0.45 117.51 118.03 2dkw h ILE 108 Ca -0.05 -0.76 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 2dkw h ILE 108 Cb 1.40 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.59 2dkw h ILE 108 CO 0.16 0.18 -0.03 0.00 -0.69 0.00 0.00 178.15 177.76 2dkw h ALA 109 N 0.20 0.05 0.89 1.87 0.00 -1.36 0.45 119.26 121.35 2dkw h ALA 109 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2dkw h ALA 109 Cb 0.44 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2dkw h ALA 109 CO 0.03 -0.50 -0.43 0.00 0.00 0.00 0.00 179.25 178.36 2dkw h ALA 110 N 1.06 -1.31 0.11 0.00 0.00 -1.45 -3.34 119.26 114.34 2dkw h ALA 110 Ca 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2dkw h ALA 110 Cb 0.09 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dkw h ALA 110 CO -0.10 -1.22 -0.06 0.93 0.00 0.00 0.00 179.25 178.79 2dkw h GLU 111 N -1.20 -0.15 -5.92 0.00 5.08 -1.05 -3.44 114.58 107.89 2dkw h GLU 111 Ca -0.12 0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.67 2dkw h GLU 111 Cb 0.91 0.03 0.19 0.00 0.50 0.00 0.00 28.75 30.39 2dkw h GLU 111 CO 0.20 -0.10 -1.31 -0.11 -1.00 0.00 0.00 179.01 176.69 2dkw n LEU 112 N -2.49 -4.18 -4.25 1.33 7.94 0.16 -4.99 117.00 110.51 2dkw n LEU 112 Ca -0.02 0.54 -0.18 0.00 -1.11 0.00 0.00 56.01 55.23 2dkw n LEU 112 Cb 0.06 -0.82 -0.11 0.00 0.53 0.00 0.00 43.42 43.08 2dkw n LEU 112 CO 0.05 -5.03 -0.45 -1.81 -1.11 0.00 0.00 177.39 169.04 2dkw s ASP 113 N -0.99 2.06 0.00 1.96 1.01 -1.26 -4.83 116.67 114.62 2dkw s ASP 113 Ca 0.52 -0.81 0.14 0.00 0.71 0.00 0.00 52.55 53.11 2dkw s ASP 113 Cb -0.42 -0.08 0.87 0.00 1.01 0.00 0.00 42.92 44.30 2dkw s ASP 113 CO 0.69 -0.13 1.28 -0.81 0.21 0.00 0.00 175.17 176.41 2dkw n PRO 114 N 0.52 0.49 -0.04 8.23 -0.04 -1.26 -1.65 135.00 141.25 2dkw n PRO 114 Ca -0.15 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 2dkw n PRO 114 Cb 0.57 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.97 2.21 0.12 0.54 0.28 -1.26 -4.46 120.64 117.10 2dkw n GLU 115 Ca 0.11 0.01 -0.20 0.00 -0.16 0.00 0.00 57.16 56.92 2dkw n GLU 115 Cb 0.05 -1.18 -0.15 0.00 1.43 0.00 0.00 31.44 31.59 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 0.00 0.71 -0.47 -1.84 3.57 -1.91 -3.27 116.94 113.73 2dkw h PHE 116 Ca -0.19 -0.52 -0.00 0.00 3.53 0.00 0.00 57.97 60.78 2dkw h PHE 116 Cb 1.40 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 2dkw h PHE 116 CO 0.00 1.44 0.28 -0.97 -2.23 0.00 0.00 178.31 176.83 2dkw h ASN 117 N 0.11 0.56 -0.81 0.41 -1.24 -1.58 -2.31 115.58 110.72 2dkw h ASN 117 Ca -0.21 -0.06 0.07 0.00 0.71 0.00 0.00 56.30 56.81 2dkw h ASN 117 Cb 2.07 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 40.93 2dkw h ASN 117 CO 0.23 0.45 0.53 0.11 -1.29 0.00 0.00 177.43 177.46 2dkw h LYS 118 N 0.62 0.84 -0.60 6.67 1.57 -1.78 -1.26 116.57 122.63 2dkw h LYS 118 Ca 0.17 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2dkw h LYS 118 Cb -0.00 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 2dkw h LYS 118 CO -0.03 0.56 0.11 -0.07 -0.57 0.00 0.00 179.45 179.44 2dkw h LEU 119 N 0.87 0.91 0.42 2.94 3.38 -1.48 -2.41 115.31 119.94 2dkw h LEU 119 Ca 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2dkw h LEU 119 Cb 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2dkw h LEU 119 CO -0.12 0.91 -0.20 0.00 0.09 0.00 0.00 178.44 179.12 2dkw h GLU 121 N -0.76 0.00 0.16 0.00 4.11 -1.42 0.56 114.58 117.23 2dkw h GLU 121 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2dkw h GLU 121 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2dkw h GLU 121 CO 0.09 0.00 -0.08 1.49 0.07 0.00 0.00 179.01 180.59 2dkw h GLU 122 N 0.00 -0.21 -0.27 1.06 4.57 -1.28 -3.02 114.58 115.43 2dkw h GLU 122 Ca 0.19 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2dkw h GLU 122 Cb 1.49 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 2dkw h GLU 122 CO -0.00 0.09 0.16 0.82 -1.18 0.00 0.00 179.01 178.90 2dkw h ILE 123 N -0.51 1.08 0.00 2.32 2.04 -0.82 -1.02 117.51 120.59 2dkw h ILE 123 Ca -0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2dkw h ILE 123 Cb 0.40 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2dkw h ILE 123 CO 0.04 0.08 0.17 0.50 0.00 0.00 0.00 178.15 178.94 2dkw h LYS 124 N 0.37 0.00 -0.37 2.37 3.64 -1.37 0.38 116.57 121.58 2dkw h LYS 124 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2dkw h LYS 124 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2dkw h LYS 124 CO -0.02 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.55 2dkw n GLU 125 N -2.78 1.77 -3.76 1.90 -0.58 -0.39 -4.89 120.64 111.91 2dkw n GLU 125 Ca -0.02 -1.00 -0.28 0.00 -0.42 0.00 0.00 57.16 55.44 2dkw n GLU 125 Cb 0.22 -1.31 0.04 0.00 -0.57 0.00 0.00 31.44 29.82 2dkw n GLU 125 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2dkw n SER 126 N 0.28 -5.42 0.00 1.62 3.41 0.13 -4.82 113.62 108.82 2dkw n SER 126 Ca 0.09 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2dkw n SER 126 Cb 0.29 -4.30 0.00 0.00 -0.26 0.00 0.00 64.21 59.94 2dkw n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkw n GLY 127 N -1.79 3.92 3.56 5.00 0.00 -1.25 -5.04 105.19 109.59 2dkw n GLY 127 Ca 0.03 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.08 2.58 -0.29 1.61 0.04 -1.26 -4.86 135.00 128.73 2dkw s PRO 128 Ca 0.00 0.10 -0.17 0.00 0.04 0.00 0.00 61.00 60.97 2dkw s PRO 128 Cb 0.00 -4.77 0.16 0.00 0.04 0.00 0.00 34.50 29.93 2dkw s PRO 128 CO 0.00 -3.10 1.05 0.45 0.04 0.00 0.00 177.00 175.44 2dkw s SER 129 N 8.07 -0.40 0.58 6.66 0.15 -1.26 -5.11 113.70 122.39 2dkw s SER 129 Ca 0.69 0.65 0.07 0.00 0.70 0.00 0.00 55.95 58.06 2dkw s SER 129 Cb -0.09 1.11 0.07 0.00 -1.71 0.00 0.00 66.02 65.40 2dkw s SER 129 CO 0.09 -0.10 0.61 -0.94 1.20 0.00 0.00 173.24 174.09 2dkw s SER 130 N 1.16 4.80 0.00 5.45 1.04 -1.26 -5.11 113.70 119.78 2dkw s SER 130 Ca -0.08 -1.12 0.26 0.00 0.48 0.00 0.00 55.95 55.50 2dkw s SER 130 Cb -0.03 0.50 1.56 0.00 0.10 0.00 0.00 66.02 68.14 2dkw s SER 130 CO -0.13 -1.29 1.91 0.61 0.98 0.00 0.00 173.24 175.32