#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkp s SER 2 N 0.00 6.91 -0.20 1.61 0.01 -1.26 -4.98 113.70 115.79 2dkp s SER 2 Ca 0.00 1.07 -0.28 0.00 1.31 0.00 0.00 55.95 58.05 2dkp s SER 2 Cb 0.00 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.81 2dkp s SER 2 CO 0.00 -0.90 1.01 -0.55 0.41 0.00 0.00 173.24 173.21 2dkp s SER 3 N 1.75 -0.39 0.00 2.44 0.15 -1.26 -5.14 113.70 111.25 2dkp s SER 3 Ca 0.46 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2dkp s SER 3 Cb -0.13 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2dkp s SER 3 CO 0.16 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dkp n GLY 4 N 1.22 2.58 3.55 9.45 0.00 -1.26 -5.17 105.19 115.56 2dkp n GLY 4 Ca -0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 2dkp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkp s SER 5 N 0.00 -0.84 -0.16 1.61 0.15 -1.26 -5.15 113.70 108.06 2dkp s SER 5 Ca 0.00 1.37 -0.01 0.00 0.70 0.00 0.00 55.95 58.01 2dkp s SER 5 Cb 0.00 1.25 0.04 0.00 -1.71 0.00 0.00 66.02 65.60 2dkp s SER 5 CO 0.00 -0.23 -0.02 -0.55 1.20 0.00 0.00 173.24 173.64 2dkp s SER 6 N 1.55 2.65 0.00 5.45 0.15 -1.26 -5.06 113.70 117.17 2dkp s SER 6 Ca -0.10 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2dkp s SER 6 Cb -0.06 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 2dkp s SER 6 CO -0.18 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2dkp n GLY 7 N 4.97 1.79 3.64 9.45 0.00 -1.26 -5.19 105.19 118.59 2dkp n GLY 7 Ca -0.10 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2dkp n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dkp s LYS 8 N -0.22 1.61 -0.96 1.61 2.47 -1.26 -5.07 119.74 117.92 2dkp s LYS 8 Ca 0.00 -1.22 -0.00 0.00 -1.56 0.00 0.00 55.97 53.19 2dkp s LYS 8 Cb 0.00 0.50 0.32 0.00 -1.46 0.00 0.00 37.83 37.19 2dkp s LYS 8 CO 0.00 -0.68 1.68 0.54 0.16 0.00 0.00 175.35 177.05 2dkp n ARG 9 N -0.40 5.08 -4.06 4.03 5.12 -1.26 -5.00 116.66 120.17 2dkp n ARG 9 Ca -0.02 -4.70 -0.30 0.00 -1.93 0.00 0.00 57.85 50.89 2dkp n ARG 9 Cb 0.61 -2.43 -0.07 0.00 -1.16 0.00 0.00 32.46 29.41 2dkp n ARG 9 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2dkp s SER 10 N -1.70 5.48 0.03 0.55 1.04 -1.26 -5.06 113.70 112.79 2dkp s SER 10 Ca 0.41 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.65 2dkp s SER 10 Cb 0.20 -1.46 -0.09 0.00 0.10 0.00 0.00 66.02 64.78 2dkp s SER 10 CO -0.13 0.17 1.24 -0.55 0.98 0.00 0.00 173.24 174.96 2dkp h ASN 11 N 3.33 -0.49 -2.71 7.02 -1.07 -2.09 -3.45 115.58 116.12 2dkp h ASN 11 Ca -0.47 0.02 -0.45 0.00 0.07 0.00 0.00 56.30 55.47 2dkp h ASN 11 Cb 1.16 0.13 0.07 0.00 -2.07 0.00 0.00 38.32 37.61 2dkp h ASN 11 CO 0.65 -0.34 0.09 -0.94 0.07 0.00 0.00 177.43 176.96 2dkp s SER 12 N -2.86 4.75 -0.02 6.14 1.04 -1.26 -5.11 113.70 116.39 2dkp s SER 12 Ca -0.08 -0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.39 2dkp s SER 12 Cb 0.01 -0.59 -0.02 0.00 0.10 0.00 0.00 66.02 65.52 2dkp s SER 12 CO 0.25 -1.56 -0.23 -0.63 0.98 0.00 0.00 173.24 172.05 2dkp s ILE 13 N -3.05 2.34 -0.12 -1.02 1.01 -1.26 -5.11 121.20 113.99 2dkp s ILE 13 Ca 0.62 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2dkp s ILE 13 Cb -0.08 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.54 2dkp s ILE 13 CO 0.42 0.57 -0.23 -0.75 0.00 0.00 0.00 174.94 174.96 2dkp s LYS 14 N -0.68 3.02 1.02 2.79 2.47 -1.26 -5.01 119.74 122.08 2dkp s LYS 14 Ca 0.11 -0.86 -0.17 0.00 -1.56 0.00 0.00 55.97 53.48 2dkp s LYS 14 Cb -0.10 -2.37 -0.00 0.00 -1.46 0.00 0.00 37.83 33.90 2dkp s LYS 14 CO -0.00 0.07 -0.17 0.54 0.16 0.00 0.00 175.35 175.94 2dkp n ARG 15 N 3.84 -0.61 -3.87 4.03 1.74 -1.26 -4.95 116.66 115.57 2dkp n ARG 15 Ca -0.20 -0.16 -0.33 0.00 -0.77 0.00 0.00 57.85 56.40 2dkp n ARG 15 Cb 0.52 -1.55 -0.13 0.00 -1.02 0.00 0.00 32.46 30.28 2dkp n ARG 15 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2dkp s ASN 16 N -1.66 4.80 0.33 0.55 2.47 -1.26 -4.97 114.94 115.20 2dkp s ASN 16 Ca 0.51 -2.66 0.12 0.00 0.42 0.00 0.00 52.86 51.25 2dkp s ASN 16 Cb -0.14 -1.73 1.02 0.00 -1.45 0.00 0.00 41.25 38.96 2dkp s ASN 16 CO 0.70 -0.34 1.64 -0.65 -3.72 0.00 0.00 177.10 174.72 2dkp h PRO 17 N 7.09 0.23 -0.67 0.43 0.11 -2.04 0.65 132.00 137.79 2dkp h PRO 17 Ca -0.06 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.07 2dkp h PRO 17 Cb 0.96 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 2dkp h PRO 17 CO 0.66 0.15 0.44 -0.91 -0.21 0.00 0.00 178.00 178.13 2dkp h ASN 18 N 0.23 0.69 -2.76 -2.05 2.35 -2.03 -3.41 115.58 108.59 2dkp h ASN 18 Ca 0.70 -0.01 -0.54 0.00 -0.55 0.00 0.00 56.30 55.91 2dkp h ASN 18 Cb 1.60 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.83 2dkp h ASN 18 CO -0.66 0.47 0.94 0.00 -1.65 0.00 0.00 177.43 176.53 2dkp s ALA 19 N -5.69 3.65 -0.11 -0.83 0.00 0.23 -4.96 121.76 114.04 2dkp s ALA 19 Ca -0.10 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 2dkp s ALA 19 Cb 0.18 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2dkp s ALA 19 CO 0.77 -1.03 1.13 -1.25 0.00 0.00 0.00 175.76 175.37 2dkp s PRO 20 N 2.51 4.35 0.11 0.00 0.04 -1.26 -4.77 135.00 135.98 2dkp s PRO 20 Ca 0.71 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.98 2dkp s PRO 20 Cb -0.37 -3.59 -0.10 0.00 0.04 0.00 0.00 34.50 30.48 2dkp s PRO 20 CO 0.30 -0.47 1.74 0.08 0.04 0.00 0.00 177.00 178.70 2dkp s VAL 21 N 2.46 2.68 -0.03 -0.36 1.01 -1.26 -4.63 120.40 120.26 2dkp s VAL 21 Ca 0.52 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 2dkp s VAL 21 Cb -0.21 -3.15 -0.17 0.00 0.00 0.00 0.00 36.38 32.85 2dkp s VAL 21 CO 0.18 0.00 1.04 0.58 0.00 0.00 0.00 175.10 176.90 2dkp h VAL 22 N 4.62 0.96 -1.51 2.92 2.07 -1.23 -3.48 116.25 120.60 2dkp h VAL 22 Ca -0.44 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.12 2dkp h VAL 22 Cb 1.21 1.54 -0.27 0.00 -1.52 0.00 0.00 31.29 32.25 2dkp h VAL 22 CO 0.94 0.22 0.52 -0.60 0.02 0.00 0.00 177.57 178.67 2dkp s ARG 23 N -3.87 0.43 -0.09 1.57 3.52 -1.22 -5.04 118.95 114.25 2dkp s ARG 23 Ca -0.14 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.01 2dkp s ARG 23 Cb 0.01 0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.61 2dkp s ARG 23 CO 0.54 -0.05 -0.19 -0.98 -0.81 0.00 0.00 175.30 173.81 2dkp s ARG 24 N 0.24 2.52 0.11 5.12 1.70 -1.26 -1.49 118.95 125.88 2dkp s ARG 24 Ca 0.03 -0.69 -0.19 0.00 -0.47 0.00 0.00 55.73 54.41 2dkp s ARG 24 Cb -0.05 -1.97 0.05 0.00 -0.57 0.00 0.00 34.95 32.40 2dkp s ARG 24 CO -0.08 0.09 0.47 0.20 -1.08 0.00 0.00 175.30 174.91 2dkp s GLY 25 N 0.54 -0.38 -0.84 3.88 0.00 -1.18 -5.01 107.32 104.31 2dkp s GLY 25 Ca -0.16 0.25 -0.25 0.00 0.00 0.00 0.00 44.72 44.57 2dkp s GLY 25 CO 0.06 -0.03 1.76 -0.98 0.00 0.00 0.00 173.10 173.90 2dkp s TRP 26 N -3.36 1.97 0.53 1.90 0.52 -1.26 -2.59 118.94 116.65 2dkp s TRP 26 Ca -0.00 0.29 -0.05 0.00 0.02 0.00 0.00 56.10 56.36 2dkp s TRP 26 Cb 0.00 -4.25 -0.02 0.00 -1.15 0.00 0.00 33.47 28.06 2dkp s TRP 26 CO -0.09 -1.95 0.83 -1.17 0.02 0.00 0.00 176.95 174.60 2dkp s LEU 27 N 8.36 3.46 -0.04 2.99 2.96 -0.98 -4.84 118.68 130.59 2dkp s LEU 27 Ca 0.61 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 55.41 2dkp s LEU 27 Cb -0.07 -3.75 -0.01 0.00 0.50 0.00 0.00 46.19 42.87 2dkp s LEU 27 CO 0.04 -0.78 -0.20 -0.31 -1.32 0.00 0.00 176.35 173.78 2dkp s TYR 28 N -2.85 1.92 0.03 5.38 1.51 -1.25 -2.24 117.35 119.85 2dkp s TYR 28 Ca 0.50 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 56.05 2dkp s TYR 28 Cb -0.10 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2dkp s TYR 28 CO 0.45 -0.16 -0.07 -1.59 -1.11 0.00 0.00 175.55 173.07 2dkp s LYS 29 N -0.10 0.52 0.50 -0.62 -2.85 -1.14 -2.54 119.74 113.51 2dkp s LYS 29 Ca -0.02 -0.64 0.05 0.00 -1.00 0.00 0.00 55.97 54.36 2dkp s LYS 29 Cb -0.11 -0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 35.32 2dkp s LYS 29 CO 0.02 0.07 0.23 1.14 0.10 0.00 0.00 175.35 176.91 2dkp s GLN 30 N -1.27 2.23 0.49 1.78 -2.07 -0.96 -1.34 119.66 118.52 2dkp s GLN 30 Ca -0.07 -2.07 0.05 0.00 -1.82 0.00 0.00 55.36 51.44 2dkp s GLN 30 Cb -0.08 -1.91 -0.01 0.00 -1.09 0.00 0.00 33.01 29.91 2dkp s GLN 30 CO 0.00 -0.40 0.18 -0.51 -1.32 0.00 0.00 175.29 173.24 2dkp s ASP 31 N -4.06 4.36 0.00 12.60 1.11 -1.16 -4.41 116.67 125.10 2dkp s ASP 31 Ca 0.28 -1.35 0.05 0.00 0.18 0.00 0.00 52.55 51.71 2dkp s ASP 31 Cb 0.01 0.17 0.11 0.00 1.07 0.00 0.00 42.92 44.28 2dkp s ASP 31 CO 0.17 -0.83 1.00 -1.20 1.18 0.00 0.00 175.17 175.48 2dkp n SER 32 N -1.40 2.16 -4.73 0.27 7.64 -1.26 -4.61 113.62 111.69 2dkp n SER 32 Ca -0.08 -1.79 -0.32 0.00 1.01 0.00 0.00 58.87 57.69 2dkp n SER 32 Cb 0.65 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 2dkp n SER 32 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dkp s THR 33 N -0.85 4.40 0.00 0.44 -4.23 -1.26 -4.98 115.64 109.16 2dkp s THR 33 Ca 0.09 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2dkp s THR 33 Cb 0.05 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2dkp s THR 33 CO 0.07 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2dkp n GLY 34 N 1.02 2.82 3.70 3.99 0.00 -1.26 -4.31 105.19 111.14 2dkp n GLY 34 Ca -0.12 0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2dkp n GLY 34 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkp s MET 35 N 0.00 4.41 -1.22 1.61 -1.94 -1.26 -4.98 119.30 115.91 2dkp s MET 35 Ca 0.00 0.96 -0.19 0.00 -1.71 0.00 0.00 55.69 54.75 2dkp s MET 35 Cb 0.00 -3.49 0.07 0.00 2.01 0.00 0.00 34.83 33.42 2dkp s MET 35 CO 0.00 -0.06 1.66 0.15 -0.01 0.00 0.00 175.02 176.76 2dkp s LYS 36 N 1.20 3.88 0.37 2.03 -0.14 -1.26 -4.77 119.74 121.05 2dkp s LYS 36 Ca 0.39 -1.77 0.08 0.00 -1.36 0.00 0.00 55.97 53.31 2dkp s LYS 36 Cb -0.18 -5.48 -0.04 0.00 -1.68 0.00 0.00 37.83 30.44 2dkp s LYS 36 CO 0.18 -2.24 0.17 -0.51 -0.76 0.00 0.00 175.35 172.18 2dkp s LEU 37 N 4.40 3.20 0.33 3.17 1.43 -1.26 -4.90 118.68 125.04 2dkp s LEU 37 Ca 0.52 -0.90 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 2dkp s LEU 37 Cb 0.03 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2dkp s LEU 37 CO 0.03 -0.41 0.21 0.26 0.23 0.00 0.00 176.35 176.67 2dkp s TRP 38 N -2.50 2.83 -0.07 0.29 0.52 -1.26 -3.00 118.94 115.74 2dkp s TRP 38 Ca 0.40 -0.32 -0.06 0.00 0.02 0.00 0.00 56.10 56.13 2dkp s TRP 38 Cb -0.00 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.66 2dkp s TRP 38 CO 0.23 0.29 0.19 0.15 0.02 0.00 0.00 176.95 177.83 2dkp s LYS 39 N -3.91 0.22 0.11 4.98 -0.14 -0.45 -4.95 119.74 115.60 2dkp s LYS 39 Ca 0.39 0.29 -0.30 0.00 -1.36 0.00 0.00 55.97 54.99 2dkp s LYS 39 Cb -0.05 0.08 -0.06 0.00 -1.68 0.00 0.00 37.83 36.13 2dkp s LYS 39 CO 0.25 -0.04 0.99 0.21 -0.76 0.00 0.00 175.35 175.99 2dkp s LYS 40 N 0.22 4.67 -0.17 1.68 2.20 -1.26 -2.86 119.74 124.21 2dkp s LYS 40 Ca -0.01 1.49 -0.14 0.00 -0.36 0.00 0.00 55.97 56.95 2dkp s LYS 40 Cb -0.02 -3.37 0.05 0.00 -1.51 0.00 0.00 37.83 32.98 2dkp s LYS 40 CO -0.01 0.16 0.45 0.50 -0.36 0.00 0.00 175.35 176.10 2dkp s ARG 41 N 0.06 0.51 -0.48 4.03 6.06 -0.95 -5.04 118.95 123.14 2dkp s ARG 41 Ca 0.48 0.69 -0.28 0.00 -2.50 0.00 0.00 55.73 54.12 2dkp s ARG 41 Cb -0.24 0.20 -0.00 0.00 0.06 0.00 0.00 34.95 34.96 2dkp s ARG 41 CO 0.30 -0.09 1.58 -0.46 -2.50 0.00 0.00 175.30 174.13 2dkp s TRP 42 N 0.54 2.10 0.40 5.12 -0.00 -1.25 -2.31 118.94 123.54 2dkp s TRP 42 Ca -0.02 0.61 0.07 0.00 -0.00 0.00 0.00 56.10 56.76 2dkp s TRP 42 Cb -0.04 -4.26 0.01 0.00 -0.00 0.00 0.00 33.47 29.17 2dkp s TRP 42 CO -0.03 -2.26 0.55 -0.06 -0.00 0.00 0.00 176.95 175.16 2dkp s PHE 43 N 6.59 2.90 -0.27 5.86 0.40 -1.07 -2.46 117.98 129.94 2dkp s PHE 43 Ca 0.63 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 56.55 2dkp s PHE 43 Cb -0.14 -2.29 0.12 0.00 0.51 0.00 0.00 43.02 41.22 2dkp s PHE 43 CO 0.28 -0.32 0.58 0.08 0.70 0.00 0.00 175.22 176.54 2dkp s VAL 44 N -2.32 -0.89 -0.69 -0.44 1.01 -0.23 -3.11 120.40 113.73 2dkp s VAL 44 Ca 0.52 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 2dkp s VAL 44 Cb -0.10 -0.90 0.08 0.00 0.00 0.00 0.00 36.38 35.47 2dkp s VAL 44 CO 0.33 0.02 0.95 -0.22 0.00 0.00 0.00 175.10 176.18 2dkp s LEU 45 N 2.81 4.64 0.04 3.92 1.98 -0.56 -2.99 118.68 128.52 2dkp s LEU 45 Ca -0.04 -1.21 -0.05 0.00 -2.89 0.00 0.00 54.13 49.93 2dkp s LEU 45 Cb -0.12 -2.40 -0.01 0.00 0.66 0.00 0.00 46.19 44.32 2dkp s LEU 45 CO -0.17 -1.34 0.08 -0.55 -1.89 0.00 0.00 176.35 172.49 2dkp s SER 46 N 3.67 0.20 -1.18 3.68 0.15 -1.21 -0.59 113.70 118.42 2dkp s SER 46 Ca 0.22 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2dkp s SER 46 Cb -0.16 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2dkp s SER 46 CO 0.07 -0.51 0.00 -0.67 1.20 0.00 0.00 173.24 173.33 2dkp n ASP 47 N 0.76 -4.17 -3.32 5.45 2.03 -1.26 -0.58 116.55 115.46 2dkp n ASP 47 Ca -0.19 0.18 -0.24 0.00 0.52 0.00 0.00 54.79 55.06 2dkp n ASP 47 Cb 0.58 -3.55 0.03 0.00 -0.72 0.00 0.00 41.12 37.46 2dkp n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dkp n LEU 48 N -2.77 -2.42 0.00 -2.67 7.99 -1.26 -4.95 117.00 110.91 2dkp n LEU 48 Ca -0.16 -0.42 -0.16 0.00 -0.01 0.00 0.00 56.01 55.26 2dkp n LEU 48 Cb 0.61 -2.68 -0.06 0.00 -0.11 0.00 0.00 43.42 41.18 2dkp n LEU 48 CO 0.19 0.30 -0.07 0.00 -1.51 0.00 0.00 177.39 176.30 2dkp s LEU 50 N 0.00 2.40 -0.00 0.00 1.43 0.27 -3.30 118.68 119.48 2dkp s LEU 50 Ca 0.32 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2dkp s LEU 50 Cb 0.01 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 2dkp s LEU 50 CO 0.23 0.18 -0.03 -0.36 0.23 0.00 0.00 176.35 176.60 2dkp s PHE 51 N 0.25 0.26 0.10 0.29 0.08 -1.16 -0.37 117.98 117.43 2dkp s PHE 51 Ca -0.13 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 56.89 2dkp s PHE 51 Cb -0.16 -0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 2dkp s PHE 51 CO 0.07 -0.01 -0.04 1.52 -0.10 0.00 0.00 175.22 176.65 2dkp s TYR 52 N -0.02 0.87 0.01 0.36 -0.85 -1.25 -1.06 117.35 115.41 2dkp s TYR 52 Ca 0.01 -0.97 -0.09 0.00 -0.52 0.00 0.00 57.07 55.49 2dkp s TYR 52 Cb -0.02 -0.52 0.01 0.00 0.38 0.00 0.00 41.96 41.81 2dkp s TYR 52 CO -0.00 -0.21 0.19 0.71 -1.52 0.00 0.00 175.55 174.71 2dkp s TYR 53 N -3.70 0.01 0.21 -3.49 1.51 -1.03 -3.36 117.35 107.50 2dkp s TYR 53 Ca 0.13 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 2dkp s TYR 53 Cb 0.06 -0.02 0.38 0.00 -0.11 0.00 0.00 41.96 42.27 2dkp s TYR 53 CO -0.04 -0.36 1.13 0.54 -1.11 0.00 0.00 175.55 175.71 2dkp n ARG 54 N 1.15 -0.06 -3.98 -0.62 1.74 -1.26 -3.92 116.66 109.71 2dkp n ARG 54 Ca -0.21 1.12 -0.11 0.00 -0.77 0.00 0.00 57.85 57.87 2dkp n ARG 54 Cb 0.57 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 2dkp n ARG 54 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2dkp s ASP 55 N -5.15 0.39 0.64 0.55 1.47 -1.26 -4.72 116.67 108.58 2dkp s ASP 55 Ca -0.11 -1.23 0.22 0.00 1.18 0.00 0.00 52.55 52.62 2dkp s ASP 55 Cb 0.20 0.70 1.21 0.00 -0.34 0.00 0.00 42.92 44.69 2dkp s ASP 55 CO 0.56 -1.37 1.67 1.05 0.68 0.00 0.00 175.17 177.77 2dkp h GLU 56 N 2.11 0.00 -0.38 2.11 9.09 -1.94 -0.23 114.58 125.35 2dkp h GLU 56 Ca -0.28 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.24 2dkp h GLU 56 Cb 1.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.33 2dkp h GLU 56 CO 0.38 0.00 0.54 0.87 0.05 0.00 0.00 179.01 180.85 2dkp h LYS 57 N 0.00 0.00 -5.39 1.06 1.79 -1.94 -3.45 116.57 108.64 2dkp h LYS 57 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 2dkp h LYS 57 Cb 0.94 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 31.75 2dkp h LYS 57 CO 0.00 0.00 -0.70 0.39 -1.08 0.00 0.00 179.45 178.06 2dkp n GLU 58 N -3.42 -6.27 -1.49 3.15 1.02 -0.10 -5.01 120.64 108.53 2dkp n GLU 58 Ca 0.07 0.78 -0.21 0.00 -0.02 0.00 0.00 57.16 57.78 2dkp n GLU 58 Cb 0.69 -5.62 0.14 0.00 -0.02 0.00 0.00 31.44 26.64 2dkp n GLU 58 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2dkp n GLU 59 N -3.98 -0.80 -1.39 3.49 -0.58 -1.26 -4.83 120.64 111.29 2dkp n GLU 59 Ca -0.24 -1.58 -0.44 0.00 -0.42 0.00 0.00 57.16 54.48 2dkp n GLU 59 Cb 0.65 -0.93 -0.14 0.00 -0.57 0.00 0.00 31.44 30.45 2dkp n GLU 59 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dkp n GLY 60 N -1.27 -0.39 2.99 0.62 0.00 -1.26 -4.71 105.19 101.17 2dkp n GLY 60 Ca 0.12 1.11 -0.46 0.00 0.00 0.00 0.00 46.02 46.79 2dkp n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dkp n ILE 61 N 7.00 0.94 0.08 -0.61 5.41 -1.26 -4.83 119.36 126.09 2dkp n ILE 61 Ca 0.61 -0.24 -0.00 0.00 1.00 0.00 0.00 62.75 64.12 2dkp n ILE 61 Cb 0.01 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.90 2dkp n ILE 61 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2dkp h LEU 62 N 1.66 0.00 0.00 1.39 3.38 -1.84 -3.48 115.31 116.42 2dkp h LEU 62 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2dkp h LEU 62 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2dkp h LEU 62 CO 0.53 0.61 0.00 0.61 0.09 0.00 0.00 178.44 180.28 2dkp n GLY 63 N 1.32 1.95 3.72 0.83 0.00 -1.26 -5.12 105.19 106.63 2dkp n GLY 63 Ca -0.03 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2dkp n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkp s SER 64 N 0.00 5.23 -0.12 1.61 1.04 -1.26 -3.84 113.70 116.36 2dkp s SER 64 Ca 0.00 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.36 2dkp s SER 64 Cb 0.00 -1.32 0.01 0.00 0.10 0.00 0.00 66.02 64.81 2dkp s SER 64 CO 0.00 0.19 -0.19 -0.63 0.98 0.00 0.00 173.24 173.59 2dkp s ILE 65 N -1.31 1.79 -0.41 -1.02 1.01 0.50 -5.00 121.20 116.75 2dkp s ILE 65 Ca 0.26 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 2dkp s ILE 65 Cb -0.12 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.77 2dkp s ILE 65 CO 0.19 0.50 1.02 -0.76 0.00 0.00 0.00 174.94 175.89 2dkp s LEU 66 N 0.88 3.87 0.06 2.97 2.01 -1.26 -0.56 118.68 126.65 2dkp s LEU 66 Ca -0.07 0.54 -0.17 0.00 0.01 0.00 0.00 54.13 54.44 2dkp s LEU 66 Cb -0.15 -3.39 -0.14 0.00 0.01 0.00 0.00 46.19 42.51 2dkp s LEU 66 CO -0.01 -1.03 1.31 -0.07 1.01 0.00 0.00 176.35 177.55 2dkp h LEU 67 N 10.55 0.66 -1.50 1.79 3.38 -1.77 -3.10 115.31 125.31 2dkp h LEU 67 Ca -0.23 -0.57 0.13 0.00 0.09 0.00 0.00 57.88 57.30 2dkp h LEU 67 Cb 1.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2dkp h LEU 67 CO 1.05 1.11 0.70 -0.65 0.09 0.00 0.00 178.44 180.74 2dkp h PRO 68 N 0.23 0.00 0.00 1.13 0.11 -1.37 0.66 132.00 132.76 2dkp h PRO 68 Ca -0.00 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 2dkp h PRO 68 Cb 1.02 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2dkp h PRO 68 CO 0.09 0.00 -1.86 0.43 -0.21 0.00 0.00 178.00 176.45 2dkp n SER 69 N -3.27 0.50 -4.85 -2.05 7.64 -1.19 -4.69 113.62 105.71 2dkp n SER 69 Ca 0.09 0.23 -0.32 0.00 1.01 0.00 0.00 58.87 59.88 2dkp n SER 69 Cb 0.87 0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 64.62 2dkp n SER 69 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2dkp s PHE 70 N -2.77 3.53 -0.30 1.43 0.08 0.23 -4.39 117.98 115.79 2dkp s PHE 70 Ca -0.06 1.39 0.03 0.00 0.12 0.00 0.00 56.93 58.41 2dkp s PHE 70 Cb 0.08 -2.76 0.08 0.00 -0.57 0.00 0.00 43.02 39.85 2dkp s PHE 70 CO 0.83 -0.51 -0.03 -1.14 -0.10 0.00 0.00 175.22 174.27 2dkp s GLN 71 N -4.55 1.85 -0.24 0.44 0.74 0.21 -4.80 119.66 113.31 2dkp s GLN 71 Ca 0.57 -1.60 -0.29 0.00 0.05 0.00 0.00 55.36 54.09 2dkp s GLN 71 Cb -0.10 -3.04 0.01 0.00 1.10 0.00 0.00 33.01 30.98 2dkp s GLN 71 CO 0.41 -0.75 1.04 0.42 -0.55 0.00 0.00 175.29 175.85 2dkp s ILE 72 N 1.01 4.66 -0.01 -2.34 -1.09 -1.26 -1.45 121.20 120.72 2dkp s ILE 72 Ca 0.01 1.97 -0.12 0.00 -2.23 0.00 0.00 60.65 60.29 2dkp s ILE 72 Cb -0.19 -4.32 0.01 0.00 -1.58 0.00 0.00 42.46 36.38 2dkp s ILE 72 CO -0.07 -0.22 0.24 0.00 -1.23 0.00 0.00 174.94 173.66 2dkp s ALA 73 N 3.26 -0.59 0.38 9.38 0.00 -0.93 -5.01 121.76 128.25 2dkp s ALA 73 Ca 0.44 0.13 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 2dkp s ALA 73 Cb -0.15 0.09 -0.11 0.00 0.00 0.00 0.00 23.12 22.96 2dkp s ALA 73 CO 0.07 -0.24 1.45 -0.51 0.00 0.00 0.00 175.76 176.54 2dkp s LEU 74 N -1.35 4.32 1.10 0.00 2.01 -1.26 -2.68 118.68 120.82 2dkp s LEU 74 Ca -0.14 2.99 -0.18 0.00 0.01 0.00 0.00 54.13 56.81 2dkp s LEU 74 Cb -0.06 -3.69 0.14 0.00 0.01 0.00 0.00 46.19 42.59 2dkp s LEU 74 CO 0.03 -0.85 0.11 0.18 1.01 0.00 0.00 176.35 176.83 2dkp n LEU 75 N 0.46 -1.90 -3.65 1.79 4.77 -1.26 -4.86 117.00 112.34 2dkp n LEU 75 Ca 0.01 -0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 55.63 2dkp n LEU 75 Cb 0.40 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 2dkp n LEU 75 CO 0.63 -3.20 0.46 0.42 -1.33 0.00 0.00 177.39 174.37 2dkp s THR 76 N -2.16 0.00 0.23 -5.08 -4.23 -1.26 -5.03 115.64 98.12 2dkp s THR 76 Ca 0.48 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 2dkp s THR 76 Cb -0.09 -1.54 0.29 0.00 1.34 0.00 0.00 72.50 72.51 2dkp s THR 76 CO 0.53 0.00 1.12 -0.24 -0.54 0.00 0.00 174.62 175.50 2dkp n SER 77 N -0.42 -0.02 -0.36 3.99 2.88 -1.26 0.90 113.62 119.33 2dkp n SER 77 Ca -0.10 1.21 0.06 0.00 -1.33 0.00 0.00 58.87 58.71 2dkp n SER 77 Cb 0.62 -0.47 0.13 0.00 -0.75 0.00 0.00 64.21 63.74 2dkp n SER 77 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2dkp n GLU 78 N -4.91 -0.10 -2.80 -1.46 -0.00 -1.26 -3.56 120.64 106.55 2dkp n GLU 78 Ca 0.19 1.55 -0.43 0.00 -0.00 0.00 0.00 57.16 58.47 2dkp n GLU 78 Cb 0.62 -2.31 -0.04 0.00 -0.00 0.00 0.00 31.44 29.71 2dkp n GLU 78 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2dkp s ASP 79 N -5.26 6.25 -0.07 -1.84 1.47 0.26 -4.90 116.67 112.58 2dkp s ASP 79 Ca -0.15 -0.60 -0.00 0.00 1.18 0.00 0.00 52.55 52.98 2dkp s ASP 79 Cb 0.26 -2.45 0.05 0.00 -0.34 0.00 0.00 42.92 40.44 2dkp s ASP 79 CO 0.77 -1.40 1.96 1.41 0.68 0.00 0.00 175.17 178.60 2dkp n HIS 80 N 7.83 0.34 -2.60 2.11 8.25 -1.23 -4.69 115.22 125.23 2dkp n HIS 80 Ca -0.00 -1.19 -0.42 0.00 -0.26 0.00 0.00 57.72 55.86 2dkp n HIS 80 Cb 0.47 -0.59 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 2dkp n HIS 80 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2dkp s ILE 81 N -0.50 4.33 0.14 1.59 1.01 -1.26 -4.95 121.20 121.55 2dkp s ILE 81 Ca 0.07 1.80 -0.09 0.00 0.00 0.00 0.00 60.65 62.43 2dkp s ILE 81 Cb 0.05 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 2dkp s ILE 81 CO -0.00 0.22 1.41 -0.55 0.00 0.00 0.00 174.94 176.02 2dkp h ASN 82 N 6.08 0.88 -3.34 3.58 -1.07 -2.00 -3.45 115.58 116.26 2dkp h ASN 82 Ca -0.42 -0.49 -0.57 0.00 0.07 0.00 0.00 56.30 54.88 2dkp h ASN 82 Cb 1.21 -0.25 0.17 0.00 -2.07 0.00 0.00 38.32 37.38 2dkp h ASN 82 CO 0.75 1.27 -0.15 0.54 0.07 0.00 0.00 177.43 179.91 2dkp n ARG 83 N -3.98 0.60 -3.73 4.14 5.12 -1.26 -5.02 116.66 112.53 2dkp n ARG 83 Ca -0.05 0.24 -0.22 0.00 -1.93 0.00 0.00 57.85 55.90 2dkp n ARG 83 Cb 0.65 -1.96 -0.04 0.00 -1.16 0.00 0.00 32.46 29.95 2dkp n ARG 83 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2dkp n LYS 84 N -0.77 1.09 -4.26 5.56 5.02 -1.26 -4.77 118.16 118.77 2dkp n LYS 84 Ca 0.12 -2.58 -0.34 0.00 -2.02 0.00 0.00 58.31 53.50 2dkp n LYS 84 Cb 0.48 0.60 -0.06 0.00 -0.02 0.00 0.00 35.03 36.04 2dkp n LYS 84 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2dkp n TYR 85 N -1.01 -1.45 -4.45 2.13 4.02 -1.26 -4.62 117.16 110.53 2dkp n TYR 85 Ca -0.12 0.71 -0.22 0.00 -0.01 0.00 0.00 57.90 58.26 2dkp n TYR 85 Cb 0.45 -2.84 -0.10 0.00 -0.02 0.00 0.00 39.34 36.83 2dkp n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dkp s ALA 86 N -3.76 2.39 0.20 -0.72 0.00 -1.26 -3.31 121.76 115.30 2dkp s ALA 86 Ca 0.38 -1.89 0.05 0.00 0.00 0.00 0.00 51.96 50.50 2dkp s ALA 86 Cb -0.21 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2dkp s ALA 86 CO 0.96 -0.33 0.17 1.97 0.00 0.00 0.00 175.76 178.53 2dkp n PHE 87 N -0.70 -0.49 -3.83 0.00 -1.74 -0.60 -4.29 117.46 105.82 2dkp n PHE 87 Ca -0.03 -1.69 -0.12 0.00 -0.56 0.00 0.00 57.45 55.05 2dkp n PHE 87 Cb 0.66 0.18 -0.12 0.00 1.52 0.00 0.00 39.48 41.72 2dkp n PHE 87 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 2dkp s LYS 88 N -2.82 0.25 -0.17 3.97 -2.85 -1.09 -2.60 119.74 114.44 2dkp s LYS 88 Ca 0.24 0.08 -0.01 0.00 -1.00 0.00 0.00 55.97 55.28 2dkp s LYS 88 Cb 0.01 0.12 -0.00 0.00 -2.06 0.00 0.00 37.83 35.89 2dkp s LYS 88 CO 0.17 -0.04 -0.12 0.00 0.10 0.00 0.00 175.35 175.45 2dkp s ALA 89 N -0.25 2.59 -0.02 0.59 0.00 -0.60 -2.18 121.76 121.89 2dkp s ALA 89 Ca -0.03 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 2dkp s ALA 89 Cb -0.03 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 2dkp s ALA 89 CO 0.00 -0.08 0.25 0.00 0.00 0.00 0.00 175.76 175.93 2dkp s ALA 90 N 0.89 3.85 -0.00 0.00 0.00 -0.53 0.43 121.76 126.40 2dkp s ALA 90 Ca -0.03 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2dkp s ALA 90 Cb -0.15 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 2dkp s ALA 90 CO -0.01 0.64 -0.12 -1.58 0.00 0.00 0.00 175.76 174.70 2dkp s HIS 91 N -1.23 1.04 -0.06 0.00 2.46 -1.22 0.67 115.29 116.94 2dkp s HIS 91 Ca 0.25 -0.21 -0.26 0.00 0.47 0.00 0.00 55.06 55.30 2dkp s HIS 91 Cb -0.13 -0.66 -0.22 0.00 -0.13 0.00 0.00 32.58 31.43 2dkp s HIS 91 CO 0.14 -0.01 1.09 -1.00 -2.47 0.00 0.00 174.74 172.48 2dkp h PRO 92 N 5.75 0.05 -0.34 2.88 0.13 -1.90 -3.26 132.00 135.31 2dkp h PRO 92 Ca -0.33 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2dkp h PRO 92 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dkp h PRO 92 CO 0.49 0.72 0.00 -1.71 -0.23 0.00 0.00 178.00 177.27 2dkp n ASN 93 N -4.71 2.23 -2.26 1.44 5.15 -1.13 -4.92 115.26 111.05 2dkp n ASN 93 Ca -0.09 -1.89 -0.10 0.00 -0.60 0.00 0.00 54.58 51.89 2dkp n ASN 93 Cb 0.37 -0.22 -0.03 0.00 -0.53 0.00 0.00 39.78 39.36 2dkp n ASN 93 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2dkp n MET 94 N 0.70 0.34 -2.29 1.20 2.81 -1.23 -5.11 117.12 113.55 2dkp n MET 94 Ca 0.16 -1.83 -0.22 0.00 -1.81 0.00 0.00 57.70 54.00 2dkp n MET 94 Cb 0.38 1.63 0.12 0.00 -0.71 0.00 0.00 33.22 34.65 2dkp n MET 94 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2dkp n ARG 95 N -0.36 -0.24 -3.22 0.03 1.85 -1.26 -4.19 116.66 109.27 2dkp n ARG 95 Ca 0.02 -2.38 -0.39 0.00 -1.00 0.00 0.00 57.85 54.10 2dkp n ARG 95 Cb 0.36 -0.71 -0.07 0.00 -1.05 0.00 0.00 32.46 30.99 2dkp n ARG 95 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2dkp s THR 96 N -2.95 5.08 0.62 8.89 2.01 -1.26 -3.45 115.64 124.58 2dkp s THR 96 Ca 0.62 0.98 -0.04 0.00 0.31 0.00 0.00 61.69 63.56 2dkp s THR 96 Cb -0.03 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.66 2dkp s THR 96 CO 0.42 0.15 0.90 -0.31 -0.69 0.00 0.00 174.62 175.08 2dkp s TYR 97 N 1.80 2.99 -0.01 4.92 1.51 0.17 -4.88 117.35 123.86 2dkp s TYR 97 Ca 0.24 0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.65 2dkp s TYR 97 Cb -0.15 -2.91 0.01 0.00 -0.11 0.00 0.00 41.96 38.79 2dkp s TYR 97 CO 0.10 -1.06 0.00 0.71 -1.11 0.00 0.00 175.55 174.19 2dkp s TYR 98 N -3.01 0.07 0.04 2.71 1.51 -1.26 -1.56 117.35 115.84 2dkp s TYR 98 Ca 0.57 0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.63 2dkp s TYR 98 Cb -0.11 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.61 2dkp s TYR 98 CO 0.43 -0.03 0.02 -0.06 -1.11 0.00 0.00 175.55 174.80 2dkp s PHE 99 N 0.33 0.33 0.13 2.71 0.08 -1.07 -2.26 117.98 118.23 2dkp s PHE 99 Ca -0.03 -0.71 -0.10 0.00 0.12 0.00 0.00 56.93 56.21 2dkp s PHE 99 Cb -0.04 -0.24 -0.00 0.00 -0.57 0.00 0.00 43.02 42.17 2dkp s PHE 99 CO -0.01 -0.34 0.26 0.00 -0.10 0.00 0.00 175.22 175.04 2dkp n THR 101 N -0.16 0.00 0.02 0.00 -2.24 -1.21 -3.93 114.28 106.76 2dkp n THR 101 Ca -0.11 -2.01 -0.19 0.00 -2.27 0.00 0.00 64.05 59.47 2dkp n THR 101 Cb 0.63 0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 69.42 2dkp n THR 101 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2dkp h ASP 102 N 1.35 0.36 -4.00 3.42 3.32 -1.91 -3.47 116.42 115.48 2dkp h ASP 102 Ca -0.27 -0.96 -0.34 0.00 0.02 0.00 0.00 57.03 55.48 2dkp h ASP 102 Cb 1.03 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.37 2dkp h ASP 102 CO 0.43 1.31 -0.33 0.35 -1.72 0.00 0.00 179.24 179.29 2dkp n THR 103 N -4.23 0.00 -0.24 0.35 -2.24 -1.26 -5.05 114.28 101.61 2dkp n THR 103 Ca -0.13 -1.69 -0.01 0.00 -2.27 0.00 0.00 64.05 59.95 2dkp n THR 103 Cb 0.75 0.82 0.19 0.00 -2.10 0.00 0.00 70.33 70.00 2dkp n THR 103 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2dkp h GLY 104 N 1.40 1.12 0.76 3.38 0.00 -1.94 -2.95 103.07 104.85 2dkp h GLY 104 Ca -0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 2dkp h GLY 104 CO 0.25 0.45 -0.42 1.70 0.00 0.00 0.00 176.54 178.52 2dkp h LYS 105 N 1.07 -1.06 0.00 4.80 1.63 -1.99 0.13 116.57 121.15 2dkp h LYS 105 Ca 0.28 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 2dkp h LYS 105 Cb -0.03 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2dkp h LYS 105 CO -0.05 -0.70 0.48 0.93 -3.45 0.00 0.00 179.45 176.65 2dkp h GLU 106 N -1.10 0.00 0.07 1.90 5.08 -1.96 0.16 114.58 118.74 2dkp h GLU 106 Ca -0.10 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.99 2dkp h GLU 106 Cb 0.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2dkp h GLU 106 CO 0.13 0.00 -1.44 1.98 -1.00 0.00 0.00 179.01 178.68 2dkp h MET 107 N 0.00 0.14 -0.94 2.33 4.05 -1.14 -3.25 114.93 116.11 2dkp h MET 107 Ca 0.00 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.17 2dkp h MET 107 Cb 0.95 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.80 2dkp h MET 107 CO 0.00 1.12 0.58 1.05 0.23 0.00 0.00 176.91 179.89 2dkp h GLU 108 N -0.51 1.27 -0.35 0.39 4.11 0.20 0.20 114.58 119.88 2dkp h GLU 108 Ca -0.34 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 2dkp h GLU 108 Cb 1.62 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2dkp h GLU 108 CO -0.04 0.88 0.13 -0.07 0.07 0.00 0.00 179.01 179.97 2dkp h LEU 109 N 1.30 0.50 -0.08 3.06 3.38 -1.37 0.19 115.31 122.28 2dkp h LEU 109 Ca 0.34 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2dkp h LEU 109 Cb -0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2dkp h LEU 109 CO -0.07 0.54 -0.05 -0.50 0.09 0.00 0.00 178.44 178.46 2dkp h TRP 110 N 0.42 0.20 0.67 1.13 -0.00 -1.51 -3.15 115.95 113.71 2dkp h TRP 110 Ca 0.12 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.89 58.92 2dkp h TRP 110 Cb 0.21 -0.05 0.01 0.00 -0.00 0.00 0.00 29.16 29.33 2dkp h TRP 110 CO 0.00 0.57 -0.32 0.52 -0.00 0.00 0.00 178.44 179.21 2dkp h MET 111 N -0.22 -0.87 -0.72 0.49 2.86 -0.58 0.25 114.93 116.14 2dkp h MET 111 Ca 0.02 0.06 0.24 0.00 -2.06 0.00 0.00 59.70 57.95 2dkp h MET 111 Cb 0.52 0.20 -0.13 0.00 0.06 0.00 0.00 31.60 32.24 2dkp h MET 111 CO 0.01 -0.58 0.15 1.63 1.06 0.00 0.00 176.91 179.18 2dkp n LYS 112 N -4.59 -0.05 -0.02 1.72 4.76 0.67 -0.04 118.16 120.61 2dkp n LYS 112 Ca -0.11 1.05 -0.01 0.00 -2.87 0.00 0.00 58.31 56.37 2dkp n LYS 112 Cb 0.35 -1.74 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 2dkp n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dkp h ALA 113 N 1.44 -0.08 -0.84 7.82 0.00 -1.48 -3.07 119.26 123.05 2dkp h ALA 113 Ca 0.50 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.51 2dkp h ALA 113 Cb 1.16 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2dkp h ALA 113 CO -0.64 -0.07 -0.45 0.52 0.00 0.00 0.00 179.25 178.61 2dkp h MET 114 N -1.00 -0.08 -0.90 0.00 2.86 0.17 0.55 114.93 116.53 2dkp h MET 114 Ca -0.01 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 2dkp h MET 114 Cb 0.06 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 2dkp h MET 114 CO 0.01 -0.05 0.53 -0.07 1.06 0.00 0.00 176.91 178.39 2dkp h LEU 115 N -0.08 0.76 -1.46 1.22 -0.00 -0.62 0.75 115.31 115.87 2dkp h LEU 115 Ca 0.24 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.14 2dkp h LEU 115 Cb 0.54 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2dkp h LEU 115 CO -0.87 0.41 -0.15 -0.78 -0.00 0.00 0.00 178.44 177.05 2dkp h ASP 116 N 0.86 0.00 -0.02 -0.43 3.58 -0.01 0.23 116.42 120.62 2dkp h ASP 116 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 2dkp h ASP 116 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2dkp h ASP 116 CO -0.26 0.15 -0.17 0.00 -2.88 0.00 0.00 179.24 176.08 2dkp n ALA 117 N -2.22 2.86 -0.07 -0.78 0.00 0.97 -4.44 120.51 116.83 2dkp n ALA 117 Ca -0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.68 2dkp n ALA 117 Cb 0.34 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 2dkp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkp n ALA 118 N 0.73 1.70 0.18 0.00 0.00 0.23 -1.27 120.51 122.08 2dkp n ALA 118 Ca 0.11 -0.61 0.10 0.00 0.00 0.00 0.00 53.44 53.04 2dkp n ALA 118 Cb 0.50 0.17 0.54 0.00 0.00 0.00 0.00 19.45 20.66 2dkp n ALA 118 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2dkp h LEU 119 N -0.01 0.00 -9.52 0.00 -0.00 -0.78 -3.39 115.31 101.61 2dkp h LEU 119 Ca -0.32 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.03 2dkp h LEU 119 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 2dkp h LEU 119 CO -0.05 0.00 0.53 0.54 -0.00 0.00 0.00 178.44 179.46 2dkp s VAL 120 N -3.51 4.02 -0.79 0.15 0.11 -1.26 -4.96 120.40 114.16 2dkp s VAL 120 Ca -0.02 1.51 0.01 0.00 -2.93 0.00 0.00 61.98 60.55 2dkp s VAL 120 Cb 0.06 -3.97 0.34 0.00 -1.53 0.00 0.00 36.38 31.28 2dkp s VAL 120 CO 0.18 0.15 1.51 0.00 -3.33 0.00 0.00 175.10 173.61 2dkp n GLN 121 N 3.57 4.08 0.00 1.54 1.13 -1.26 -4.55 117.38 121.88 2dkp n GLN 121 Ca 0.07 -4.51 0.14 0.00 -1.94 0.00 0.00 57.00 50.76 2dkp n GLN 121 Cb 0.46 -2.34 0.43 0.00 0.11 0.00 0.00 30.24 28.91 2dkp n GLN 121 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2dkp n THR 122 N -0.25 0.00 -3.97 5.09 5.66 -1.26 -4.91 114.28 114.63 2dkp n THR 122 Ca 0.42 -0.29 -0.21 0.00 -3.05 0.00 0.00 64.05 60.92 2dkp n THR 122 Cb 0.34 0.70 -0.02 0.00 -1.55 0.00 0.00 70.33 69.80 2dkp n THR 122 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dkp s SER 123 N -2.03 6.29 -0.34 1.09 1.04 -1.26 -5.10 113.70 113.39 2dkp s SER 123 Ca 0.35 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.90 2dkp s SER 123 Cb 0.21 -1.84 0.19 0.00 0.10 0.00 0.00 66.02 64.67 2dkp s SER 123 CO 0.34 -0.06 0.62 -0.83 0.98 0.00 0.00 173.24 174.29 2dkp s GLY 124 N -3.95 -1.27 -0.66 7.32 0.00 -1.26 -5.09 107.32 102.41 2dkp s GLY 124 Ca 0.34 0.77 -0.27 0.00 0.00 0.00 0.00 44.72 45.56 2dkp s GLY 124 CO 0.29 3.70 1.56 2.56 0.00 0.00 0.00 173.10 181.21 2dkp s PRO 125 N 2.45 2.95 0.27 2.90 0.04 -1.26 -4.84 135.00 137.51 2dkp s PRO 125 Ca 0.13 0.24 0.20 0.00 0.04 0.00 0.00 61.00 61.61 2dkp s PRO 125 Cb -0.07 -4.27 1.01 0.00 0.04 0.00 0.00 34.50 31.20 2dkp s PRO 125 CO -0.19 -2.38 1.61 -1.13 0.04 0.00 0.00 177.00 174.95 2dkp n SER 126 N 10.92 0.52 0.01 6.66 3.41 -1.26 -3.61 113.62 130.27 2dkp n SER 126 Ca 0.12 0.71 -0.03 0.00 -0.26 0.00 0.00 58.87 59.41 2dkp n SER 126 Cb 0.50 -0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 2dkp n SER 126 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dkp n SER 127 N -2.16 0.98 0.00 4.04 7.64 -1.26 -5.32 113.62 117.53 2dkp n SER 127 Ca -0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2dkp n SER 127 Cb 0.09 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2dkp n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64