#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 0.59 -0.18 1.61 1.04 -1.26 -5.10 113.70 110.40 2dkp s SER 2 Ca 0.00 -1.46 -0.35 0.00 0.48 0.00 0.00 55.95 54.62 2dkp s SER 2 Cb 0.00 0.46 -0.12 0.00 0.10 0.00 0.00 66.02 66.46 2dkp s SER 2 CO 0.00 -0.95 1.93 -0.24 0.98 0.00 0.00 173.24 174.96 2dkp n SER 3 N -0.70 2.99 -4.60 7.02 2.88 -1.26 -4.90 113.62 115.06 2dkp n SER 3 Ca 0.03 0.85 -0.42 0.00 -1.33 0.00 0.00 58.87 58.00 2dkp n SER 3 Cb 0.64 -1.31 -0.04 0.00 -0.75 0.00 0.00 64.21 62.75 2dkp n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dkp s GLY 4 N 4.80 1.62 -0.40 0.46 0.00 -1.26 -5.01 107.32 107.53 2dkp s GLY 4 Ca 0.97 -0.49 -0.29 0.00 0.00 0.00 0.00 44.72 44.91 2dkp s GLY 4 CO 0.53 1.89 1.09 -1.35 0.00 0.00 0.00 173.10 175.26 2dkp s SER 5 N 1.81 6.76 0.15 1.64 1.04 -1.26 -4.94 113.70 118.89 2dkp s SER 5 Ca 0.35 0.71 -0.30 0.00 0.48 0.00 0.00 55.95 57.19 2dkp s SER 5 Cb -0.13 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 2dkp s SER 5 CO 0.17 -1.06 1.56 0.28 0.98 0.00 0.00 173.24 175.17 2dkp h SER 6 N 8.68 -1.75 -0.56 7.02 0.02 -2.04 -3.47 113.55 121.45 2dkp h SER 6 Ca -0.22 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2dkp h SER 6 Cb 1.06 0.75 0.00 0.00 0.14 0.00 0.00 62.40 64.35 2dkp h SER 6 CO 1.07 -0.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 2dkp n GLY 7 N -1.38 0.58 3.82 -3.77 0.00 -1.26 -5.11 105.19 98.07 2dkp n GLY 7 Ca -0.01 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 2dkp n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dkp s LYS 8 N -1.96 3.18 -0.44 1.61 -2.85 -1.26 -5.08 119.74 112.94 2dkp s LYS 8 Ca 0.00 -0.45 -0.12 0.00 -1.00 0.00 0.00 55.97 54.40 2dkp s LYS 8 Cb 0.00 -2.93 0.07 0.00 -2.06 0.00 0.00 37.83 32.91 2dkp s LYS 8 CO 0.00 0.65 0.31 1.03 0.10 0.00 0.00 175.35 177.45 2dkp s ARG 9 N -1.85 2.81 -0.00 1.78 3.00 -1.26 -5.06 118.95 118.37 2dkp s ARG 9 Ca 0.25 -1.35 0.03 0.00 0.00 0.00 0.00 55.73 54.66 2dkp s ARG 9 Cb -0.12 -3.94 -0.01 0.00 0.00 0.00 0.00 34.95 30.88 2dkp s ARG 9 CO 0.16 -0.95 -0.11 0.45 0.00 0.00 0.00 175.30 174.86 2dkp s SER 10 N 2.25 1.24 0.33 0.23 0.15 -1.26 -5.03 113.70 111.61 2dkp s SER 10 Ca 0.03 -0.23 0.12 0.00 0.70 0.00 0.00 55.95 56.57 2dkp s SER 10 Cb -0.23 -0.12 1.03 0.00 -1.71 0.00 0.00 66.02 64.98 2dkp s SER 10 CO 0.05 0.10 1.62 0.78 1.20 0.00 0.00 173.24 176.99 2dkp h ASN 11 N 5.72 0.20 -2.12 5.45 4.21 -2.01 -3.41 115.58 123.63 2dkp h ASN 11 Ca -0.32 0.22 -0.58 0.00 1.21 0.00 0.00 56.30 56.83 2dkp h ASN 11 Cb 1.18 0.25 -0.13 0.00 -1.12 0.00 0.00 38.32 38.50 2dkp h ASN 11 CO 0.48 -0.26 -0.60 -0.94 -1.29 0.00 0.00 177.43 174.83 2dkp s SER 12 N -4.85 3.43 -0.06 5.81 1.04 -1.26 -5.15 113.70 112.66 2dkp s SER 12 Ca -0.11 -1.38 -0.00 0.00 0.48 0.00 0.00 55.95 54.94 2dkp s SER 12 Cb 0.30 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 2dkp s SER 12 CO 0.78 -0.51 -0.02 -0.63 0.98 0.00 0.00 173.24 173.84 2dkp s ILE 13 N -2.89 4.11 -0.04 -1.02 1.01 -1.26 -5.08 121.20 116.02 2dkp s ILE 13 Ca 0.35 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.64 2dkp s ILE 13 Cb 0.09 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 2dkp s ILE 13 CO 0.17 0.53 -0.23 -0.75 0.00 0.00 0.00 174.94 174.66 2dkp s LYS 14 N -1.07 2.15 1.13 2.79 2.36 -1.26 -5.04 119.74 120.80 2dkp s LYS 14 Ca 0.15 -0.82 -0.13 0.00 -2.55 0.00 0.00 55.97 52.62 2dkp s LYS 14 Cb -0.11 -1.92 0.26 0.00 -1.05 0.00 0.00 37.83 35.01 2dkp s LYS 14 CO 0.04 0.40 1.04 1.03 1.55 0.00 0.00 175.35 179.42 2dkp s ARG 15 N -0.27 -0.62 0.01 4.03 0.52 -1.26 -5.05 118.95 116.32 2dkp s ARG 15 Ca 0.01 0.70 0.07 0.00 -0.52 0.00 0.00 55.73 55.98 2dkp s ARG 15 Cb -0.12 -1.60 -0.03 0.00 0.52 0.00 0.00 34.95 33.73 2dkp s ARG 15 CO 0.02 -3.49 -0.19 1.21 0.02 0.00 0.00 175.30 172.87 2dkp s ASN 16 N -2.82 3.69 -0.05 0.23 2.47 -1.26 -5.05 114.94 112.15 2dkp s ASN 16 Ca 0.68 -0.40 -0.23 0.00 0.42 0.00 0.00 52.86 53.33 2dkp s ASN 16 Cb -0.23 -0.60 -0.27 0.00 -1.45 0.00 0.00 41.25 38.71 2dkp s ASN 16 CO 0.63 0.29 0.96 1.55 -3.72 0.00 0.00 177.10 176.80 2dkp h PRO 17 N 4.88 0.25 -0.68 0.43 0.13 -2.05 -3.33 132.00 131.63 2dkp h PRO 17 Ca -0.47 -0.33 0.03 0.00 -0.87 0.00 0.00 66.00 64.36 2dkp h PRO 17 Cb 1.15 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 2dkp h PRO 17 CO 0.48 1.09 0.42 -0.91 -0.23 0.00 0.00 178.00 178.85 2dkp h ASN 18 N -0.44 0.69 -1.57 1.44 2.35 -2.05 -3.41 115.58 112.58 2dkp h ASN 18 Ca -0.08 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.04 2dkp h ASN 18 Cb 1.31 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 2dkp h ASN 18 CO 0.10 0.48 1.40 0.00 -1.65 0.00 0.00 177.43 177.75 2dkp n ALA 19 N -2.31 1.32 -2.41 -0.83 0.00 -1.25 -4.89 120.51 110.13 2dkp n ALA 19 Ca 0.07 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2dkp n ALA 19 Cb 0.09 -2.68 -0.02 0.00 0.00 0.00 0.00 19.45 16.83 2dkp n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dkp s PRO 20 N 5.93 4.02 0.08 0.00 0.04 -1.26 -4.73 135.00 139.09 2dkp s PRO 20 Ca 1.04 1.40 -0.35 0.00 0.04 0.00 0.00 61.00 63.13 2dkp s PRO 20 Cb -0.63 -3.85 -0.14 0.00 0.04 0.00 0.00 34.50 29.92 2dkp s PRO 20 CO 0.44 -0.98 1.56 0.28 0.04 0.00 0.00 177.00 178.34 2dkp n VAL 21 N 5.93 0.09 -0.02 -0.36 0.31 -1.26 -4.74 118.33 118.28 2dkp n VAL 21 Ca 0.15 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 2dkp n VAL 21 Cb 0.46 -1.37 -0.10 0.00 -0.91 0.00 0.00 33.84 31.92 2dkp n VAL 21 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2dkp h VAL 22 N 3.86 1.42 -1.35 2.52 2.07 -1.26 -3.48 116.25 120.03 2dkp h VAL 22 Ca -0.46 -1.47 0.13 0.00 0.82 0.00 0.00 66.70 65.73 2dkp h VAL 22 Cb 1.28 2.39 -0.28 0.00 -1.52 0.00 0.00 31.29 33.16 2dkp h VAL 22 CO 0.87 0.37 0.68 -0.60 0.02 0.00 0.00 177.57 178.91 2dkp s ARG 23 N -3.58 0.32 -0.04 1.57 6.06 -1.23 -5.04 118.95 117.01 2dkp s ARG 23 Ca -0.16 0.25 0.02 0.00 -2.50 0.00 0.00 55.73 53.34 2dkp s ARG 23 Cb 0.00 0.15 0.02 0.00 0.06 0.00 0.00 34.95 35.18 2dkp s ARG 23 CO 0.65 -0.06 -0.07 -0.98 -2.50 0.00 0.00 175.30 172.33 2dkp s ARG 24 N -0.31 1.05 0.12 5.12 1.70 -1.26 -1.20 118.95 124.17 2dkp s ARG 24 Ca 0.04 -0.22 -0.24 0.00 -0.47 0.00 0.00 55.73 54.84 2dkp s ARG 24 Cb -0.03 -0.97 0.07 0.00 -0.57 0.00 0.00 34.95 33.45 2dkp s ARG 24 CO -0.08 -0.01 0.60 0.20 -1.08 0.00 0.00 175.30 174.94 2dkp s GLY 25 N 0.66 -0.59 -0.54 3.88 0.00 -1.10 -5.01 107.32 104.63 2dkp s GLY 25 Ca -0.10 0.62 -0.27 0.00 0.00 0.00 0.00 44.72 44.97 2dkp s GLY 25 CO 0.01 0.29 2.04 -0.98 0.00 0.00 0.00 173.10 174.46 2dkp s TRP 26 N -3.24 1.47 0.26 1.90 0.52 -1.26 -2.99 118.94 115.60 2dkp s TRP 26 Ca -0.01 1.02 0.05 0.00 0.02 0.00 0.00 56.10 57.18 2dkp s TRP 26 Cb -0.01 -3.93 -0.03 0.00 -1.15 0.00 0.00 33.47 28.36 2dkp s TRP 26 CO -0.08 -2.49 0.37 -1.17 0.02 0.00 0.00 176.95 173.60 2dkp s LEU 27 N 9.86 4.21 -0.23 2.99 2.96 -0.99 -4.92 118.68 132.55 2dkp s LEU 27 Ca 0.79 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.62 2dkp s LEU 27 Cb -0.15 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 2dkp s LEU 27 CO 0.24 -0.15 0.04 -0.31 -1.32 0.00 0.00 176.35 174.85 2dkp s TYR 28 N -2.04 3.06 -0.11 5.38 2.02 -1.25 -2.35 117.35 122.08 2dkp s TYR 28 Ca 0.36 -0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 56.50 2dkp s TYR 28 Cb -0.09 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2dkp s TYR 28 CO 0.29 -0.35 0.17 0.21 -1.57 0.00 0.00 175.55 174.31 2dkp s LYS 29 N 1.45 3.50 -0.43 -0.62 2.47 -0.74 -3.41 119.74 121.96 2dkp s LYS 29 Ca 0.05 -0.06 -0.15 0.00 -1.56 0.00 0.00 55.97 54.25 2dkp s LYS 29 Cb -0.15 -3.19 0.03 0.00 -1.46 0.00 0.00 37.83 33.06 2dkp s LYS 29 CO 0.02 0.77 0.35 -1.14 0.16 0.00 0.00 175.35 175.51 2dkp s GLN 30 N -1.04 2.99 -0.03 4.03 0.74 -0.93 -0.26 119.66 125.17 2dkp s GLN 30 Ca 0.16 -1.08 -0.30 0.00 0.05 0.00 0.00 55.36 54.19 2dkp s GLN 30 Cb -0.13 -4.02 -0.04 0.00 1.10 0.00 0.00 33.01 29.92 2dkp s GLN 30 CO 0.05 -0.85 1.28 -0.51 -0.55 0.00 0.00 175.29 174.72 2dkp s ASP 31 N 1.96 6.97 -0.27 6.67 1.01 -1.10 -4.55 116.67 127.35 2dkp s ASP 31 Ca 0.06 1.95 -0.03 0.00 0.71 0.00 0.00 52.55 55.23 2dkp s ASP 31 Cb -0.20 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.20 2dkp s ASP 31 CO 0.10 -0.63 2.63 -0.24 0.21 0.00 0.00 175.17 177.23 2dkp n SER 32 N 5.19 6.11 -4.00 0.27 2.88 -1.26 -4.19 113.62 118.61 2dkp n SER 32 Ca 0.12 -2.93 -0.27 0.00 -1.33 0.00 0.00 58.87 54.46 2dkp n SER 32 Cb 0.45 -1.21 -0.17 0.00 -0.75 0.00 0.00 64.21 62.54 2dkp n SER 32 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2dkp s THR 33 N -1.38 1.22 0.00 2.46 -4.23 -1.26 -5.04 115.64 107.41 2dkp s THR 33 Ca 0.46 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2dkp s THR 33 Cb 0.29 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.98 2dkp s THR 33 CO -0.09 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 2dkp n GLY 34 N 4.30 0.80 3.57 3.99 0.00 -1.26 -4.00 105.19 112.59 2dkp n GLY 34 Ca -0.18 0.78 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 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 3.29 -0.87 1.61 -1.94 -1.26 -4.91 119.30 115.22 2dkp s MET 35 Ca 0.00 0.18 -0.24 0.00 -1.71 0.00 0.00 55.69 53.91 2dkp s MET 35 Cb 0.00 -4.12 -0.17 0.00 2.01 0.00 0.00 34.83 32.54 2dkp s MET 35 CO 0.00 -1.98 1.91 1.63 -0.01 0.00 0.00 175.02 176.57 2dkp n LYS 36 N 8.86 1.14 -3.14 2.03 4.01 -1.26 -4.87 118.16 124.93 2dkp n LYS 36 Ca 0.09 -1.95 -0.19 0.00 -0.51 0.00 0.00 58.31 55.75 2dkp n LYS 36 Cb 0.49 -3.32 0.02 0.00 -0.51 0.00 0.00 35.03 31.71 2dkp n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2dkp s LEU 37 N 7.08 3.39 -0.32 -0.35 1.43 -1.26 -4.92 118.68 123.73 2dkp s LEU 37 Ca 0.67 -0.65 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 2dkp s LEU 37 Cb 0.06 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 44.12 2dkp s LEU 37 CO 0.17 -0.95 0.15 0.26 0.23 0.00 0.00 176.35 176.21 2dkp s TRP 38 N -2.49 3.19 -0.27 0.29 0.52 -1.26 -2.72 118.94 116.20 2dkp s TRP 38 Ca 0.55 -0.76 -0.14 0.00 0.02 0.00 0.00 56.10 55.77 2dkp s TRP 38 Cb -0.07 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 2dkp s TRP 38 CO 0.34 -0.53 0.35 0.15 0.02 0.00 0.00 176.95 177.27 2dkp s LYS 39 N 1.57 4.00 0.08 4.98 3.01 0.64 -4.88 119.74 129.13 2dkp s LYS 39 Ca 0.03 -0.02 -0.31 0.00 -1.01 0.00 0.00 55.97 54.67 2dkp s LYS 39 Cb -0.18 -3.66 -0.06 0.00 -1.01 0.00 0.00 37.83 32.92 2dkp s LYS 39 CO 0.06 -0.27 1.23 0.21 0.51 0.00 0.00 175.35 177.08 2dkp s LYS 40 N 2.03 4.42 0.29 1.68 2.36 -1.26 -1.79 119.74 127.47 2dkp s LYS 40 Ca 0.14 1.83 -0.12 0.00 -2.55 0.00 0.00 55.97 55.26 2dkp s LYS 40 Cb -0.16 -3.32 0.01 0.00 -1.05 0.00 0.00 37.83 33.31 2dkp s LYS 40 CO 0.10 -0.28 0.55 1.03 1.55 0.00 0.00 175.35 178.30 2dkp s ARG 41 N 1.00 1.75 -0.11 4.03 1.81 -0.99 -4.98 118.95 121.46 2dkp s ARG 41 Ca 0.59 -1.35 -0.20 0.00 -1.72 0.00 0.00 55.73 53.05 2dkp s ARG 41 Cb -0.31 0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 34.66 2dkp s ARG 41 CO 0.30 -0.75 0.54 -0.46 -0.68 0.00 0.00 175.30 174.25 2dkp s TRP 42 N -3.56 3.53 0.22 -0.53 -0.00 -1.26 -2.34 118.94 115.00 2dkp s TRP 42 Ca 0.22 0.99 0.10 0.00 -0.00 0.00 0.00 56.10 57.40 2dkp s TRP 42 Cb -0.02 -2.63 -0.05 0.00 -0.00 0.00 0.00 33.47 30.77 2dkp s TRP 42 CO 0.11 0.14 -0.18 -0.06 -0.00 0.00 0.00 176.95 176.96 2dkp s PHE 43 N 0.71 1.96 -0.14 5.86 0.40 -1.16 -3.06 117.98 122.55 2dkp s PHE 43 Ca 0.29 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 56.06 2dkp s PHE 43 Cb -0.16 -0.91 0.04 0.00 0.51 0.00 0.00 43.02 42.51 2dkp s PHE 43 CO 0.13 0.48 0.37 0.08 0.70 0.00 0.00 175.22 176.97 2dkp s VAL 44 N -2.52 -0.01 -0.54 -0.44 1.01 -0.02 -2.69 120.40 115.19 2dkp s VAL 44 Ca 0.23 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 2dkp s VAL 44 Cb -0.04 -0.53 0.14 0.00 0.00 0.00 0.00 36.38 35.95 2dkp s VAL 44 CO 0.10 0.02 0.44 -0.22 0.00 0.00 0.00 175.10 175.44 2dkp s LEU 45 N 0.73 5.92 0.05 3.92 1.98 -0.34 -2.39 118.68 128.56 2dkp s LEU 45 Ca -0.04 -2.04 0.00 0.00 -2.89 0.00 0.00 54.13 49.16 2dkp s LEU 45 Cb -0.05 -2.08 -0.03 0.00 0.66 0.00 0.00 46.19 44.69 2dkp s LEU 45 CO -0.05 -0.70 -0.05 -0.55 -1.89 0.00 0.00 176.35 173.11 2dkp s SER 46 N 2.72 0.63 -0.98 3.68 0.15 -1.15 -0.66 113.70 118.09 2dkp s SER 46 Ca 0.07 -0.82 -0.05 0.00 0.70 0.00 0.00 55.95 55.85 2dkp s SER 46 Cb -0.25 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.23 2dkp s SER 46 CO -0.01 -0.44 0.23 -0.67 1.20 0.00 0.00 173.24 173.54 2dkp n ASP 47 N 0.61 -3.17 -3.07 5.45 2.03 -1.26 0.39 116.55 117.53 2dkp n ASP 47 Ca -0.17 -0.05 -0.22 0.00 0.52 0.00 0.00 54.79 54.87 2dkp n ASP 47 Cb 0.59 -2.69 0.01 0.00 -0.72 0.00 0.00 41.12 38.31 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 -3.18 -2.02 -4.29 -2.67 4.77 -1.26 -4.95 117.00 103.40 2dkp n LEU 48 Ca -0.05 -0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 55.48 2dkp n LEU 48 Cb 0.55 -2.54 -0.09 0.00 -2.33 0.00 0.00 43.42 39.02 2dkp n LEU 48 CO 0.31 0.14 -0.15 0.00 -1.33 0.00 0.00 177.39 176.37 2dkp s LEU 50 N -3.36 3.38 -0.08 0.00 1.43 0.52 -2.93 118.68 117.64 2dkp s LEU 50 Ca 0.39 -0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2dkp s LEU 50 Cb 0.03 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.51 2dkp s LEU 50 CO 0.23 0.28 0.17 -0.36 0.23 0.00 0.00 176.35 176.90 2dkp s PHE 51 N -0.30 -0.21 0.18 0.29 0.08 -1.01 -1.49 117.98 115.53 2dkp s PHE 51 Ca 0.06 0.59 0.07 0.00 0.12 0.00 0.00 56.93 57.76 2dkp s PHE 51 Cb -0.12 -0.10 -0.05 0.00 -0.57 0.00 0.00 43.02 42.18 2dkp s PHE 51 CO 0.02 -0.21 -0.13 1.52 -0.10 0.00 0.00 175.22 176.32 2dkp s TYR 52 N 1.52 1.57 0.10 0.36 -0.85 -1.25 -0.84 117.35 117.96 2dkp s TYR 52 Ca -0.06 -0.63 -0.03 0.00 -0.52 0.00 0.00 57.07 55.84 2dkp s TYR 52 Cb -0.12 -0.75 -0.03 0.00 0.38 0.00 0.00 41.96 41.45 2dkp s TYR 52 CO -0.06 0.27 0.07 0.71 -1.52 0.00 0.00 175.55 175.01 2dkp s TYR 53 N -3.05 0.60 0.27 -3.49 1.51 -1.17 -3.25 117.35 108.76 2dkp s TYR 53 Ca 0.20 -1.04 -0.08 0.00 -1.01 0.00 0.00 57.07 55.14 2dkp s TYR 53 Cb 0.00 -0.35 0.45 0.00 -0.11 0.00 0.00 41.96 41.95 2dkp s TYR 53 CO 0.05 -0.50 1.57 0.00 -1.11 0.00 0.00 175.55 175.56 2dkp h ARG 54 N 2.91 0.00 0.00 -0.62 3.08 -1.84 -3.35 114.38 114.56 2dkp h ARG 54 Ca -0.34 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.55 2dkp h ARG 54 Cb 1.18 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 2dkp h ARG 54 CO 0.60 0.00 -0.02 -0.40 -1.07 0.00 0.00 179.97 179.08 2dkp n ASP 55 N -5.59 -1.20 0.28 7.04 5.68 -1.26 -4.70 116.55 116.81 2dkp n ASP 55 Ca 0.15 -2.34 0.16 0.00 -0.50 0.00 0.00 54.79 52.26 2dkp n ASP 55 Cb 0.49 2.14 0.86 0.00 -1.14 0.00 0.00 41.12 43.47 2dkp n ASP 55 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2dkp h GLU 56 N 0.00 0.00 0.00 0.11 4.11 -1.97 -0.54 114.58 116.30 2dkp h GLU 56 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2dkp h GLU 56 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2dkp h GLU 56 CO 0.28 0.00 0.02 1.63 0.07 0.00 0.00 179.01 181.01 2dkp n LYS 57 N -2.73 0.12 -4.06 1.06 5.02 -1.26 -4.83 118.16 111.47 2dkp n LYS 57 Ca -0.02 0.62 -0.28 0.00 -2.02 0.00 0.00 58.31 56.60 2dkp n LYS 57 Cb 0.21 -1.92 -0.04 0.00 -0.02 0.00 0.00 35.03 33.26 2dkp n LYS 57 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2dkp n GLU 58 N -2.15 -2.32 -3.38 1.97 1.02 -0.21 -4.89 120.64 110.68 2dkp n GLU 58 Ca -0.01 0.29 -0.46 0.00 -0.02 0.00 0.00 57.16 56.96 2dkp n GLU 58 Cb 0.05 -4.12 -0.03 0.00 -0.02 0.00 0.00 31.44 27.31 2dkp n GLU 58 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dkp s GLU 59 N -6.83 3.41 0.15 3.49 2.02 -1.26 -4.90 118.70 114.77 2dkp s GLU 59 Ca 0.04 -2.39 0.00 0.00 0.02 0.00 0.00 54.97 52.64 2dkp s GLU 59 Cb -0.02 -4.33 0.00 0.00 0.10 0.00 0.00 34.13 29.88 2dkp s GLU 59 CO 0.93 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2dkp n GLY 60 N 4.05 -4.06 3.71 -1.39 0.00 -1.26 -4.71 105.19 101.53 2dkp n GLY 60 Ca 0.10 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2dkp n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dkp s ILE 61 N -1.28 4.91 0.07 -0.61 1.01 -1.26 -4.41 121.20 119.62 2dkp s ILE 61 Ca 0.00 1.89 0.09 0.00 0.00 0.00 0.00 60.65 62.63 2dkp s ILE 61 Cb 0.00 -4.24 -0.16 0.00 0.01 0.00 0.00 42.46 38.07 2dkp s ILE 61 CO 0.00 0.19 1.31 -0.07 0.00 0.00 0.00 174.94 176.37 2dkp h LEU 62 N 6.74 0.00 -7.00 2.97 3.38 -1.91 -3.47 115.31 116.02 2dkp h LEU 62 Ca -0.41 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.70 2dkp h LEU 62 Cb 1.21 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.67 2dkp h LEU 62 CO 0.75 0.90 0.70 -0.83 0.09 0.00 0.00 178.44 180.05 2dkp s GLY 63 N -4.67 0.10 0.10 0.83 0.00 -1.26 -5.12 107.32 97.29 2dkp s GLY 63 Ca 0.02 3.04 0.05 0.00 0.00 0.00 0.00 44.72 47.82 2dkp s GLY 63 CO 0.81 1.77 0.00 -1.35 0.00 0.00 0.00 173.10 174.33 2dkp s SER 64 N -0.07 5.03 -0.06 1.64 1.04 -1.26 -3.84 113.70 116.19 2dkp s SER 64 Ca 0.05 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.32 2dkp s SER 64 Cb -0.04 -1.20 0.01 0.00 0.10 0.00 0.00 66.02 64.89 2dkp s SER 64 CO -0.10 0.17 -0.11 -0.63 0.98 0.00 0.00 173.24 173.54 2dkp s ILE 65 N -1.34 1.05 -0.43 -1.02 1.01 -0.56 -5.02 121.20 114.91 2dkp s ILE 65 Ca 0.26 -0.45 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 2dkp s ILE 65 Cb -0.12 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.42 2dkp s ILE 65 CO 0.18 0.33 0.80 -0.76 0.00 0.00 0.00 174.94 175.50 2dkp s LEU 66 N 0.57 4.18 0.09 2.97 2.01 -1.26 -0.35 118.68 126.89 2dkp s LEU 66 Ca -0.12 0.05 -0.14 0.00 0.01 0.00 0.00 54.13 53.94 2dkp s LEU 66 Cb -0.14 -3.01 -0.15 0.00 0.01 0.00 0.00 46.19 42.90 2dkp s LEU 66 CO 0.03 -0.88 1.31 -0.07 1.01 0.00 0.00 176.35 177.75 2dkp h LEU 67 N 10.07 0.86 -1.67 1.79 3.38 -1.81 -3.15 115.31 124.78 2dkp h LEU 67 Ca -0.25 -0.60 0.21 0.00 0.09 0.00 0.00 57.88 57.33 2dkp h LEU 67 Cb 1.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2dkp h LEU 67 CO 0.95 1.32 0.76 -0.65 0.09 0.00 0.00 178.44 180.91 2dkp h PRO 68 N 0.45 0.00 0.00 1.13 0.11 -1.16 0.68 132.00 133.22 2dkp h PRO 68 Ca -0.03 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.91 2dkp h PRO 68 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 2dkp h PRO 68 CO 0.13 0.00 -1.67 0.43 -0.21 0.00 0.00 178.00 176.68 2dkp n SER 69 N -3.59 0.57 -4.84 -2.05 7.64 -1.20 -4.78 113.62 105.38 2dkp n SER 69 Ca 0.15 0.25 -0.32 0.00 1.01 0.00 0.00 58.87 59.96 2dkp n SER 69 Cb 1.01 0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 64.77 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 -2.95 3.41 -0.26 1.43 0.08 0.24 -4.52 117.98 115.41 2dkp s PHE 70 Ca -0.05 1.48 0.02 0.00 0.12 0.00 0.00 56.93 58.50 2dkp s PHE 70 Cb 0.09 -2.81 0.06 0.00 -0.57 0.00 0.00 43.02 39.79 2dkp s PHE 70 CO 0.83 -0.39 -0.09 -1.14 -0.10 0.00 0.00 175.22 174.32 2dkp s GLN 71 N -4.00 2.28 -0.23 0.44 0.74 0.56 -4.74 119.66 114.73 2dkp s GLN 71 Ca 0.59 -1.33 -0.29 0.00 0.05 0.00 0.00 55.36 54.39 2dkp s GLN 71 Cb -0.10 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 31.09 2dkp s GLN 71 CO 0.30 -0.57 1.03 0.42 -0.55 0.00 0.00 175.29 175.92 2dkp s ILE 72 N 1.13 4.69 -0.11 -2.34 -1.09 -1.26 -1.68 121.20 120.54 2dkp s ILE 72 Ca -0.08 2.01 -0.08 0.00 -2.23 0.00 0.00 60.65 60.27 2dkp s ILE 72 Cb -0.20 -4.30 0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2dkp s ILE 72 CO -0.04 -0.17 0.28 0.00 -1.23 0.00 0.00 174.94 173.77 2dkp s ALA 73 N 3.15 -0.67 0.25 9.38 0.00 -1.01 -5.04 121.76 127.83 2dkp s ALA 73 Ca 0.44 0.91 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 2dkp s ALA 73 Cb -0.15 -0.55 -0.13 0.00 0.00 0.00 0.00 23.12 22.29 2dkp s ALA 73 CO 0.06 -0.16 1.44 1.28 0.00 0.00 0.00 175.76 178.38 2dkp n LEU 74 N 3.46 3.38 -4.27 0.00 7.99 -1.26 -3.31 117.00 122.99 2dkp n LEU 74 Ca -0.18 1.15 -0.34 0.00 -0.01 0.00 0.00 56.01 56.63 2dkp n LEU 74 Cb 0.56 -1.46 0.09 0.00 -0.11 0.00 0.00 43.42 42.50 2dkp n LEU 74 CO 0.16 -0.36 -0.53 0.18 -1.51 0.00 0.00 177.39 175.33 2dkp n LEU 75 N 2.10 -2.27 -4.20 2.23 4.77 -1.26 -4.93 117.00 113.45 2dkp n LEU 75 Ca 0.11 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 2dkp n LEU 75 Cb 0.33 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.29 2dkp n LEU 75 CO 0.63 -4.48 -0.12 0.42 -1.33 0.00 0.00 177.39 172.51 2dkp s THR 76 N -2.24 0.00 0.18 -5.08 -4.23 -1.26 -5.00 115.64 98.00 2dkp s THR 76 Ca 0.51 -1.90 -0.13 0.00 -1.18 0.00 0.00 61.69 58.99 2dkp s THR 76 Cb -0.20 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.35 2dkp s THR 76 CO 0.73 0.00 1.18 -0.24 -0.54 0.00 0.00 174.62 175.75 2dkp n SER 77 N -0.80 -0.47 -0.30 3.99 2.88 -1.26 0.17 113.62 117.83 2dkp n SER 77 Ca 0.03 1.33 0.12 0.00 -1.33 0.00 0.00 58.87 59.02 2dkp n SER 77 Cb 0.64 -0.31 0.27 0.00 -0.75 0.00 0.00 64.21 64.05 2dkp n SER 77 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dkp h GLU 78 N 0.00 0.14 -4.61 -1.46 4.39 -2.02 -2.86 114.58 108.16 2dkp h GLU 78 Ca 0.27 -0.01 -0.72 0.00 0.34 0.00 0.00 59.36 59.25 2dkp h GLU 78 Cb 0.47 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.98 2dkp h GLU 78 CO -0.76 0.09 2.29 -0.25 -1.16 0.00 0.00 179.01 179.22 2dkp n ASP 79 N -5.31 4.70 -3.85 1.42 8.00 0.44 -4.88 116.55 117.07 2dkp n ASP 79 Ca 0.20 -2.95 -0.42 0.00 0.71 0.00 0.00 54.79 52.34 2dkp n ASP 79 Cb 0.67 -1.63 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 2dkp n ASP 79 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2dkp n HIS 80 N 6.25 3.52 -3.81 1.24 8.25 -1.08 -4.56 115.22 125.03 2dkp n HIS 80 Ca 0.46 -2.82 -0.36 0.00 -0.26 0.00 0.00 57.72 54.73 2dkp n HIS 80 Cb 0.41 -2.49 -0.07 0.00 1.12 0.00 0.00 29.99 28.97 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 3.64 5.46 0.28 1.59 1.01 -1.26 -4.99 121.20 126.92 2dkp s ILE 81 Ca 0.49 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2dkp s ILE 81 Cb 0.12 -3.44 0.11 0.00 0.01 0.00 0.00 42.46 39.27 2dkp s ILE 81 CO -0.04 0.56 1.77 0.78 0.00 0.00 0.00 174.94 178.01 2dkp h ASN 82 N 5.52 0.66 -3.03 3.58 2.35 -2.02 -3.42 115.58 119.22 2dkp h ASN 82 Ca -0.50 -0.16 -0.55 0.00 -0.55 0.00 0.00 56.30 54.53 2dkp h ASN 82 Cb 1.20 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.38 2dkp h ASN 82 CO 0.64 0.76 0.75 -0.60 -1.65 0.00 0.00 177.43 177.33 2dkp s ARG 83 N -4.89 4.32 0.66 0.81 6.06 -1.26 -5.03 118.95 119.62 2dkp s ARG 83 Ca -0.09 1.72 0.06 0.00 -2.50 0.00 0.00 55.73 54.92 2dkp s ARG 83 Cb 0.15 -3.59 0.12 0.00 0.06 0.00 0.00 34.95 31.68 2dkp s ARG 83 CO 0.80 -0.51 0.90 0.15 -2.50 0.00 0.00 175.30 174.14 2dkp s LYS 84 N 2.44 1.95 -1.53 5.12 1.02 -1.26 -4.55 119.74 122.94 2dkp s LYS 84 Ca 0.57 -1.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.01 2dkp s LYS 84 Cb -0.25 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 2dkp s LYS 84 CO 0.22 -1.19 0.71 0.66 -0.92 0.00 0.00 175.35 174.83 2dkp n TYR 85 N -2.54 -2.13 -4.36 3.18 4.02 -1.26 -4.78 117.16 109.28 2dkp n TYR 85 Ca 0.16 0.61 -0.19 0.00 -0.01 0.00 0.00 57.90 58.48 2dkp n TYR 85 Cb 0.61 -4.57 -0.10 0.00 -0.02 0.00 0.00 39.34 35.26 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 -3.20 2.01 0.30 -0.72 0.00 -1.26 -3.81 121.76 115.07 2dkp s ALA 86 Ca 0.36 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.61 2dkp s ALA 86 Cb -0.16 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2dkp s ALA 86 CO 0.44 -0.06 0.12 1.97 0.00 0.00 0.00 175.76 178.23 2dkp n PHE 87 N -0.43 0.04 -3.88 0.00 -1.74 -0.24 -4.26 117.46 106.95 2dkp n PHE 87 Ca -0.07 -1.98 -0.11 0.00 -0.56 0.00 0.00 57.45 54.73 2dkp n PHE 87 Cb 0.62 0.02 -0.09 0.00 1.52 0.00 0.00 39.48 41.54 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 -3.16 0.55 -0.14 3.97 -2.85 -1.21 -1.97 119.74 114.93 2dkp s LYS 88 Ca 0.17 -0.54 0.01 0.00 -1.00 0.00 0.00 55.97 54.61 2dkp s LYS 88 Cb 0.01 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.02 2dkp s LYS 88 CO 0.12 -0.14 -0.17 0.00 0.10 0.00 0.00 175.35 175.26 2dkp s ALA 89 N -1.94 1.99 0.06 0.59 0.00 -0.47 -2.40 121.76 119.59 2dkp s ALA 89 Ca -0.10 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 2dkp s ALA 89 Cb -0.05 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 2dkp s ALA 89 CO -0.01 -0.25 0.45 0.00 0.00 0.00 0.00 175.76 175.95 2dkp s ALA 90 N 1.22 3.67 -0.01 0.00 0.00 -0.67 0.27 121.76 126.24 2dkp s ALA 90 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.77 2dkp s ALA 90 Cb -0.14 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 2dkp s ALA 90 CO -0.08 0.49 -0.10 -1.58 0.00 0.00 0.00 175.76 174.49 2dkp s HIS 91 N -1.25 0.92 -0.07 0.00 2.46 -1.22 -0.32 115.29 115.82 2dkp s HIS 91 Ca 0.30 -0.18 -0.27 0.00 0.47 0.00 0.00 55.06 55.38 2dkp s HIS 91 Cb -0.16 -0.60 -0.22 0.00 -0.13 0.00 0.00 32.58 31.47 2dkp s HIS 91 CO 0.16 -0.02 1.07 -1.00 -2.47 0.00 0.00 174.74 172.48 2dkp h PRO 92 N 5.94 -0.00 -0.20 2.88 0.13 -1.90 -3.25 132.00 135.59 2dkp h PRO 92 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2dkp h PRO 92 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dkp h PRO 92 CO 0.49 0.67 0.00 -1.71 -0.23 0.00 0.00 178.00 177.23 2dkp n ASN 93 N -4.77 1.69 -2.52 1.44 5.15 -1.26 -4.91 115.26 110.08 2dkp n ASN 93 Ca -0.09 -1.75 -0.12 0.00 -0.60 0.00 0.00 54.58 52.01 2dkp n ASN 93 Cb 0.34 -0.13 -0.04 0.00 -0.53 0.00 0.00 39.78 39.42 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 0.35 0.40 -1.89 1.20 2.81 -1.23 -5.11 117.12 113.66 2dkp n MET 94 Ca 0.15 -2.21 -0.19 0.00 -1.81 0.00 0.00 57.70 53.64 2dkp n MET 94 Cb 0.32 1.96 0.11 0.00 -0.71 0.00 0.00 33.22 34.90 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 -0.44 -0.25 -3.30 0.03 1.85 -1.26 -4.16 116.66 109.13 2dkp n ARG 95 Ca 0.03 -1.90 -0.39 0.00 -1.00 0.00 0.00 57.85 54.59 2dkp n ARG 95 Cb 0.43 -0.66 -0.07 0.00 -1.05 0.00 0.00 32.46 31.11 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 -2.56 5.15 0.63 8.89 2.01 -1.26 -3.41 115.64 125.09 2dkp s THR 96 Ca 0.52 0.87 -0.01 0.00 0.31 0.00 0.00 61.69 63.39 2dkp s THR 96 Cb -0.02 -3.80 0.07 0.00 0.01 0.00 0.00 72.50 68.75 2dkp s THR 96 CO 0.35 0.22 0.89 -0.31 -0.69 0.00 0.00 174.62 175.08 2dkp s TYR 97 N 1.41 2.46 -0.09 4.92 1.51 0.14 -4.87 117.35 122.83 2dkp s TYR 97 Ca 0.23 -0.01 -0.08 0.00 -1.01 0.00 0.00 57.07 56.19 2dkp s TYR 97 Cb -0.15 -2.92 0.03 0.00 -0.11 0.00 0.00 41.96 38.81 2dkp s TYR 97 CO 0.09 -1.24 0.24 0.71 -1.11 0.00 0.00 175.55 174.24 2dkp s TYR 98 N -2.97 -0.27 0.01 2.71 1.51 -1.26 -1.37 117.35 115.71 2dkp s TYR 98 Ca 0.61 0.66 -0.02 0.00 -1.01 0.00 0.00 57.07 57.31 2dkp s TYR 98 Cb -0.09 0.09 -0.01 0.00 -0.11 0.00 0.00 41.96 41.84 2dkp s TYR 98 CO 0.41 -0.14 0.01 -0.06 -1.11 0.00 0.00 175.55 174.67 2dkp s PHE 99 N 0.24 0.17 0.08 2.71 0.40 -0.83 -2.18 117.98 118.56 2dkp s PHE 99 Ca -0.01 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 55.89 2dkp s PHE 99 Cb -0.03 -0.13 -0.01 0.00 0.51 0.00 0.00 43.02 43.36 2dkp s PHE 99 CO -0.01 -0.19 0.14 0.00 0.70 0.00 0.00 175.22 175.87 2dkp s THR 101 N -3.76 0.63 0.01 0.00 -4.23 -1.25 -3.76 115.64 103.28 2dkp s THR 101 Ca 0.04 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.34 2dkp s THR 101 Cb 0.05 -2.33 -0.18 0.00 1.34 0.00 0.00 72.50 71.38 2dkp s THR 101 CO -0.10 0.00 1.25 0.44 -0.54 0.00 0.00 174.62 175.66 2dkp h ASP 102 N 1.75 0.32 -3.37 3.99 5.19 -1.92 -3.48 116.42 118.91 2dkp h ASP 102 Ca -0.36 -0.57 -0.57 0.00 -0.62 0.00 0.00 57.03 54.92 2dkp h ASP 102 Cb 1.28 -0.09 -0.13 0.00 0.18 0.00 0.00 39.33 40.56 2dkp h ASP 102 CO 0.58 0.83 -0.50 0.42 -3.12 0.00 0.00 179.24 177.45 2dkp s THR 103 N -3.95 0.48 0.21 0.35 -4.23 -1.26 -5.05 115.64 102.19 2dkp s THR 103 Ca -0.15 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.28 2dkp s THR 103 Cb 0.04 -2.31 0.15 0.00 1.34 0.00 0.00 72.50 71.72 2dkp s THR 103 CO 0.75 0.00 1.79 1.23 -0.54 0.00 0.00 174.62 177.85 2dkp h GLY 104 N 1.77 1.23 0.73 3.99 0.00 -1.91 -3.09 103.07 105.78 2dkp h GLY 104 Ca -0.33 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 2dkp h GLY 104 CO 0.53 0.60 -0.44 1.70 0.00 0.00 0.00 176.54 178.93 2dkp h LYS 105 N 1.11 -1.06 -0.04 4.80 3.11 -1.99 -0.72 116.57 121.79 2dkp h LYS 105 Ca 0.26 0.07 0.01 0.00 -2.81 0.00 0.00 60.65 58.19 2dkp h LYS 105 Cb 0.17 0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 31.63 2dkp h LYS 105 CO -0.03 -0.70 0.66 0.93 -2.81 0.00 0.00 179.45 177.50 2dkp h GLU 106 N -1.10 0.00 0.14 1.90 5.08 -1.97 0.64 114.58 119.28 2dkp h GLU 106 Ca -0.10 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.92 2dkp h GLU 106 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2dkp h GLU 106 CO 0.10 0.00 -1.76 1.98 -1.00 0.00 0.00 179.01 178.33 2dkp h MET 107 N 0.00 0.31 -0.34 2.33 4.05 -1.20 -3.34 114.93 116.74 2dkp h MET 107 Ca 0.02 -0.52 -0.01 0.00 -0.28 0.00 0.00 59.70 58.91 2dkp h MET 107 Cb 1.35 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 32.33 2dkp h MET 107 CO -0.00 1.25 0.18 1.05 0.23 0.00 0.00 176.91 179.62 2dkp h GLU 108 N -0.03 0.47 -0.97 0.39 4.11 0.17 0.54 114.58 119.26 2dkp h GLU 108 Ca -0.37 -0.06 0.18 0.00 0.07 0.00 0.00 59.36 59.18 2dkp h GLU 108 Cb 1.98 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 31.05 2dkp h GLU 108 CO 0.11 0.39 0.61 -0.07 0.07 0.00 0.00 179.01 180.12 2dkp h LEU 109 N 0.42 0.70 0.03 3.06 3.38 -1.50 0.39 115.31 121.79 2dkp h LEU 109 Ca 0.12 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2dkp h LEU 109 Cb 0.06 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2dkp h LEU 109 CO -0.02 0.29 -0.24 -0.50 0.09 0.00 0.00 178.44 178.06 2dkp h TRP 110 N 0.71 0.19 0.77 1.13 -0.00 -1.57 -3.29 115.95 113.89 2dkp h TRP 110 Ca 0.52 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.89 59.25 2dkp h TRP 110 Cb 0.88 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.02 2dkp h TRP 110 CO -0.00 1.02 -0.42 0.52 -0.00 0.00 0.00 178.44 179.55 2dkp h MET 111 N -0.68 -1.06 -0.98 0.49 2.86 -0.22 0.23 114.93 115.56 2dkp h MET 111 Ca -0.04 0.07 0.39 0.00 -2.06 0.00 0.00 59.70 58.07 2dkp h MET 111 Cb 1.11 0.24 -0.15 0.00 0.06 0.00 0.00 31.60 32.85 2dkp h MET 111 CO 0.05 -0.71 0.56 1.63 1.06 0.00 0.00 176.91 179.50 2dkp n LYS 112 N -5.12 -0.05 -0.04 1.72 4.76 0.13 -0.28 118.16 119.29 2dkp n LYS 112 Ca -0.14 1.22 -0.00 0.00 -2.87 0.00 0.00 58.31 56.53 2dkp n LYS 112 Cb 0.45 -2.24 -0.00 0.00 -1.84 0.00 0.00 35.03 31.39 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 1.73 0.00 -0.74 7.82 0.00 -1.53 -3.29 119.26 123.24 2dkp h ALA 113 Ca 0.78 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.77 2dkp h ALA 113 Cb 2.16 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.84 2dkp h ALA 113 CO -0.63 0.01 -0.50 0.52 0.00 0.00 0.00 179.25 178.65 2dkp h MET 114 N -0.81 -0.15 -1.22 0.00 2.86 1.00 0.77 114.93 117.38 2dkp h MET 114 Ca 0.00 0.01 0.36 0.00 -2.06 0.00 0.00 59.70 58.01 2dkp h MET 114 Cb 0.01 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.61 2dkp h MET 114 CO 0.00 -0.10 0.82 -0.07 1.06 0.00 0.00 176.91 178.62 2dkp h LEU 115 N -0.15 0.24 -0.10 1.22 -0.00 -0.82 1.16 115.31 116.86 2dkp h LEU 115 Ca 0.18 0.07 -0.21 0.00 -0.00 0.00 0.00 57.88 57.92 2dkp h LEU 115 Cb 0.53 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 2dkp h LEU 115 CO -0.79 -0.02 -0.99 -0.78 -0.00 0.00 0.00 178.44 175.86 2dkp h ASP 116 N 0.17 0.15 1.14 -0.43 1.82 0.41 -1.52 116.42 118.15 2dkp h ASP 116 Ca 0.67 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 57.17 2dkp h ASP 116 Cb 2.17 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 42.13 2dkp h ASP 116 CO -0.23 1.05 -0.37 0.00 -1.61 0.00 0.00 179.24 178.08 2dkp h ALA 117 N 0.94 0.76 0.02 -0.78 0.00 0.28 -3.14 119.26 117.34 2dkp h ALA 117 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 2dkp h ALA 117 Cb 1.69 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2dkp h ALA 117 CO 0.14 0.00 -1.86 0.00 0.00 0.00 0.00 179.25 177.54 2dkp n ALA 118 N -1.82 0.97 0.25 0.00 0.00 0.24 -0.81 120.51 119.33 2dkp n ALA 118 Ca 0.04 -0.73 0.09 0.00 0.00 0.00 0.00 53.44 52.84 2dkp n ALA 118 Cb 0.44 -0.35 0.63 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.73 0.00 -6.24 0.00 8.10 -1.42 -3.41 115.31 111.61 2dkp h LEU 119 Ca -0.48 0.00 -0.47 0.00 0.11 0.00 0.00 57.88 57.04 2dkp h LEU 119 Cb 1.57 0.00 0.08 0.00 -0.44 0.00 0.00 40.66 41.87 2dkp h LEU 119 CO -0.21 0.14 -0.36 0.55 -4.11 0.00 0.00 178.44 174.45 2dkp n VAL 120 N -4.02 1.35 -2.46 0.15 3.14 -1.18 -4.83 118.33 110.47 2dkp n VAL 120 Ca -0.02 -0.34 -0.39 0.00 -2.96 0.00 0.00 64.34 60.63 2dkp n VAL 120 Cb 0.22 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.02 2dkp n VAL 120 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dkp n GLN 121 N 0.70 4.46 -1.22 1.45 1.13 -1.26 -4.70 117.38 117.94 2dkp n GLN 121 Ca 0.13 -4.36 -0.23 0.00 -1.94 0.00 0.00 57.00 50.59 2dkp n GLN 121 Cb 0.17 -2.39 0.15 0.00 0.11 0.00 0.00 30.24 28.28 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 -0.22 3.15 -1.31 5.09 5.66 -1.26 -5.00 114.28 120.38 2dkp n THR 122 Ca 0.47 -2.48 -0.58 0.00 -3.05 0.00 0.00 64.05 58.40 2dkp n THR 122 Cb 0.28 -0.66 -0.11 0.00 -1.55 0.00 0.00 70.33 68.29 2dkp n THR 122 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2dkp n SER 123 N -1.06 1.06 -3.94 1.09 3.41 -1.26 -4.90 113.62 108.01 2dkp n SER 123 Ca 0.55 0.65 -0.10 0.00 -0.26 0.00 0.00 58.87 59.71 2dkp n SER 123 Cb 1.25 -0.97 -0.11 0.00 -0.26 0.00 0.00 64.21 64.11 2dkp n SER 123 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dkp s GLY 124 N 6.10 0.17 -1.09 5.00 0.00 -1.26 -5.09 107.32 111.15 2dkp s GLY 124 Ca 1.17 -0.41 -0.22 0.00 0.00 0.00 0.00 44.72 45.26 2dkp s GLY 124 CO 0.63 -0.47 1.69 2.56 0.00 0.00 0.00 173.10 177.51 2dkp s PRO 125 N -1.15 3.34 -0.52 2.90 0.04 -1.26 -4.89 135.00 133.46 2dkp s PRO 125 Ca -0.13 -1.18 0.04 0.00 0.04 0.00 0.00 61.00 59.77 2dkp s PRO 125 Cb -0.08 -5.33 0.14 0.00 0.04 0.00 0.00 34.50 29.27 2dkp s PRO 125 CO -0.01 -2.69 0.30 -1.12 0.04 0.00 0.00 177.00 173.52 2dkp s SER 126 N 5.61 4.06 0.29 6.66 0.01 -1.26 -5.10 113.70 123.97 2dkp s SER 126 Ca 0.56 -3.04 -0.30 0.00 1.31 0.00 0.00 55.95 54.47 2dkp s SER 126 Cb -0.00 -1.39 -0.11 0.00 0.21 0.00 0.00 66.02 64.72 2dkp s SER 126 CO -0.01 -0.21 1.62 -0.55 0.41 0.00 0.00 173.24 174.50 2dkp s SER 127 N -0.28 6.35 0.00 2.44 0.15 -1.26 -5.21 113.70 115.90 2dkp s SER 127 Ca 0.19 2.96 0.07 0.00 0.70 0.00 0.00 55.95 59.87 2dkp s SER 127 Cb -0.20 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.53 2dkp s SER 127 CO -0.04 -0.93 0.72 0.61 1.20 0.00 0.00 173.24 174.80