#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 2.23 -0.15 1.61 0.01 -1.26 -5.16 113.70 110.99 2dkp s SER 2 Ca 0.00 -1.39 -0.06 0.00 1.31 0.00 0.00 55.95 55.82 2dkp s SER 2 Cb 0.00 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.26 2dkp s SER 2 CO 0.00 -0.63 0.31 -0.55 0.41 0.00 0.00 173.24 172.78 2dkp s SER 3 N -3.47 0.05 0.00 2.44 0.15 -1.26 -5.12 113.70 106.49 2dkp s SER 3 Ca 0.36 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2dkp s SER 3 Cb 0.08 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 2dkp s SER 3 CO 0.15 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dkp n GLY 4 N 5.13 1.82 3.61 9.45 0.00 -1.26 -4.93 105.19 119.02 2dkp n GLY 4 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2dkp n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dkp n SER 5 N 0.00 -4.81 -3.95 1.61 2.88 -1.26 -4.98 113.62 103.11 2dkp n SER 5 Ca 0.00 -0.61 -0.31 0.00 -1.33 0.00 0.00 58.87 56.62 2dkp n SER 5 Cb 0.00 -4.84 -0.15 0.00 -0.75 0.00 0.00 64.21 58.47 2dkp n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dkp s SER 6 N -3.63 4.56 0.21 -3.46 0.15 -1.26 -5.09 113.70 105.17 2dkp s SER 6 Ca 0.42 -2.18 0.03 0.00 0.70 0.00 0.00 55.95 54.93 2dkp s SER 6 Cb -0.19 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 2dkp s SER 6 CO 0.75 -0.37 0.11 0.61 1.20 0.00 0.00 173.24 175.54 2dkp n GLY 7 N 4.21 3.56 3.11 9.45 0.00 -1.26 -5.12 105.19 119.15 2dkp n GLY 7 Ca 0.03 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.80 2.43 0.15 1.61 -2.85 -1.26 -4.96 119.74 112.06 2dkp s LYS 8 Ca 0.15 -2.30 -0.19 0.00 -1.00 0.00 0.00 55.97 52.63 2dkp s LYS 8 Cb 0.01 -3.72 0.03 0.00 -2.06 0.00 0.00 37.83 32.09 2dkp s LYS 8 CO 0.11 -1.15 1.68 -0.09 0.10 0.00 0.00 175.35 175.99 2dkp h ARG 9 N 7.40 -0.05 -5.79 1.78 2.43 -2.03 -3.39 114.38 114.73 2dkp h ARG 9 Ca -0.05 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.52 2dkp h ARG 9 Cb 0.99 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.46 2dkp h ARG 9 CO 0.72 -0.03 0.47 -1.12 -1.51 0.00 0.00 179.97 178.50 2dkp s SER 10 N -5.17 6.82 -1.10 -3.80 0.01 -1.26 -4.96 113.70 104.24 2dkp s SER 10 Ca -0.14 1.02 -0.23 0.00 1.31 0.00 0.00 55.95 57.91 2dkp s SER 10 Cb 0.12 -2.44 -0.07 0.00 0.21 0.00 0.00 66.02 63.84 2dkp s SER 10 CO 0.69 -0.53 1.93 0.21 0.41 0.00 0.00 173.24 175.96 2dkp s ASN 11 N 1.36 5.09 0.34 2.44 2.47 -1.26 -4.92 114.94 120.46 2dkp s ASN 11 Ca 0.35 -1.38 0.07 0.00 0.42 0.00 0.00 52.86 52.32 2dkp s ASN 11 Cb -0.15 -2.58 -0.01 0.00 -1.45 0.00 0.00 41.25 37.06 2dkp s ASN 11 CO 0.08 -2.95 0.47 -0.55 -3.72 0.00 0.00 177.10 170.43 2dkp s SER 12 N 6.92 5.93 -0.01 -4.21 0.15 -1.26 -5.12 113.70 116.09 2dkp s SER 12 Ca 0.69 -0.21 0.06 0.00 0.70 0.00 0.00 55.95 57.18 2dkp s SER 12 Cb -0.02 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 63.08 2dkp s SER 12 CO 0.09 -0.45 -0.20 -0.63 1.20 0.00 0.00 173.24 173.24 2dkp s ILE 13 N -2.19 2.59 -0.07 6.45 1.01 -1.26 -5.13 121.20 122.61 2dkp s ILE 13 Ca 0.46 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2dkp s ILE 13 Cb -0.09 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.39 2dkp s ILE 13 CO 0.31 0.51 -0.13 -0.75 0.00 0.00 0.00 174.94 174.88 2dkp s LYS 14 N -0.90 1.78 0.55 2.79 2.47 -1.26 -5.06 119.74 120.12 2dkp s LYS 14 Ca 0.12 -0.44 -0.20 0.00 -1.56 0.00 0.00 55.97 53.89 2dkp s LYS 14 Cb -0.10 -1.46 -0.05 0.00 -1.46 0.00 0.00 37.83 34.76 2dkp s LYS 14 CO 0.01 0.04 1.16 0.50 0.16 0.00 0.00 175.35 177.22 2dkp s ARG 15 N 0.64 3.27 -0.60 4.03 3.52 -1.26 -5.00 118.95 123.55 2dkp s ARG 15 Ca -0.15 1.69 -0.07 0.00 -0.13 0.00 0.00 55.73 57.08 2dkp s ARG 15 Cb -0.16 -2.01 0.16 0.00 -1.56 0.00 0.00 34.95 31.38 2dkp s ARG 15 CO 0.04 -0.94 0.45 1.21 -0.81 0.00 0.00 175.30 175.26 2dkp s ASN 16 N -1.68 5.65 0.29 -2.12 2.47 -1.26 -4.96 114.94 113.32 2dkp s ASN 16 Ca 0.74 -2.49 0.01 0.00 0.42 0.00 0.00 52.86 51.53 2dkp s ASN 16 Cb -0.26 -1.96 0.69 0.00 -1.45 0.00 0.00 41.25 38.26 2dkp s ASN 16 CO 0.29 -0.51 1.62 -0.65 -3.72 0.00 0.00 177.10 174.13 2dkp h PRO 17 N 7.65 0.11 -0.35 0.43 0.11 -2.03 0.11 132.00 138.04 2dkp h PRO 17 Ca -0.06 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.10 2dkp h PRO 17 Cb 1.01 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 2dkp h PRO 17 CO 0.76 0.07 0.05 -0.91 -0.21 0.00 0.00 178.00 177.76 2dkp h ASN 18 N 0.11 -0.03 -0.13 -2.05 2.35 -2.04 -3.41 115.58 110.38 2dkp h ASN 18 Ca 0.55 0.06 -0.55 0.00 -0.55 0.00 0.00 56.30 55.81 2dkp h ASN 18 Cb 1.10 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 39.50 2dkp h ASN 18 CO -0.75 0.02 1.66 0.00 -1.65 0.00 0.00 177.43 176.72 2dkp n ALA 19 N -2.43 0.33 -1.40 -0.83 0.00 0.38 -4.68 120.51 111.88 2dkp n ALA 19 Ca 0.01 -0.23 -0.50 0.00 0.00 0.00 0.00 53.44 52.73 2dkp n ALA 19 Cb 0.16 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.21 2dkp n ALA 19 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dkp n PRO 20 N 8.34 0.42 -1.97 0.00 -0.02 -1.26 -4.68 135.00 135.82 2dkp n PRO 20 Ca 0.61 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 2dkp n PRO 20 Cb 0.06 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2dkp n PRO 20 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dkp s VAL 21 N 7.79 2.94 -0.01 -1.45 1.01 -1.26 -4.73 120.40 124.70 2dkp s VAL 21 Ca 1.19 0.55 -0.23 0.00 0.00 0.00 0.00 61.98 63.49 2dkp s VAL 21 Cb -1.12 -3.35 -0.15 0.00 0.00 0.00 0.00 36.38 31.76 2dkp s VAL 21 CO 0.53 0.02 1.07 0.58 0.00 0.00 0.00 175.10 177.29 2dkp h VAL 22 N 4.46 0.47 -1.75 2.92 2.07 -1.47 -3.48 116.25 119.47 2dkp h VAL 22 Ca -0.42 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2dkp h VAL 22 Cb 1.20 0.70 -0.23 0.00 -1.52 0.00 0.00 31.29 31.44 2dkp h VAL 22 CO 0.92 0.09 0.35 -0.60 0.02 0.00 0.00 177.57 178.35 2dkp s ARG 23 N -4.29 0.68 -0.04 1.57 6.06 -1.24 -5.05 118.95 116.64 2dkp s ARG 23 Ca -0.13 0.59 0.00 0.00 -2.50 0.00 0.00 55.73 53.69 2dkp s ARG 23 Cb 0.02 0.33 0.02 0.00 0.06 0.00 0.00 34.95 35.38 2dkp s ARG 23 CO 0.46 -0.13 -0.02 -0.98 -2.50 0.00 0.00 175.30 172.14 2dkp s ARG 24 N -0.14 0.61 0.32 5.12 1.70 -1.26 -1.46 118.95 123.84 2dkp s ARG 24 Ca -0.00 -0.00 -0.17 0.00 -0.47 0.00 0.00 55.73 55.09 2dkp s ARG 24 Cb -0.04 -0.74 0.03 0.00 -0.57 0.00 0.00 34.95 33.63 2dkp s ARG 24 CO -0.01 -0.14 0.70 0.20 -1.08 0.00 0.00 175.30 174.97 2dkp s GLY 25 N 1.16 0.27 -0.67 3.88 0.00 -1.12 -5.01 107.32 105.82 2dkp s GLY 25 Ca -0.08 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 43.74 2dkp s GLY 25 CO -0.01 -0.30 1.24 -0.98 0.00 0.00 0.00 173.10 173.05 2dkp s TRP 26 N -3.27 2.43 0.17 1.90 0.52 -1.26 -2.51 118.94 116.91 2dkp s TRP 26 Ca 0.15 0.16 0.04 0.00 0.02 0.00 0.00 56.10 56.47 2dkp s TRP 26 Cb -0.05 -4.58 -0.04 0.00 -1.15 0.00 0.00 33.47 27.66 2dkp s TRP 26 CO 0.10 -1.86 0.23 -1.17 0.02 0.00 0.00 176.95 174.27 2dkp s LEU 27 N 5.39 4.11 -0.24 2.99 2.96 -1.16 -4.96 118.68 127.78 2dkp s LEU 27 Ca 0.39 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 2dkp s LEU 27 Cb -0.08 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 2dkp s LEU 27 CO 0.20 0.04 0.09 -0.31 -1.32 0.00 0.00 176.35 175.05 2dkp s TYR 28 N -1.78 3.14 0.09 5.38 2.02 -1.25 -3.39 117.35 121.56 2dkp s TYR 28 Ca 0.33 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 56.86 2dkp s TYR 28 Cb -0.10 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 2dkp s TYR 28 CO 0.26 -0.21 -0.07 0.21 -1.57 0.00 0.00 175.55 174.17 2dkp s LYS 29 N 1.35 2.26 -0.00 -0.62 2.20 -1.10 -3.17 119.74 120.67 2dkp s LYS 29 Ca 0.05 -0.96 0.07 0.00 -0.36 0.00 0.00 55.97 54.78 2dkp s LYS 29 Cb -0.15 -2.38 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 2dkp s LYS 29 CO 0.04 0.52 -0.22 -1.14 -0.36 0.00 0.00 175.35 174.20 2dkp s GLN 30 N -2.19 1.69 0.49 4.03 0.74 -0.94 -0.37 119.66 123.11 2dkp s GLN 30 Ca 0.22 -0.81 0.06 0.00 0.05 0.00 0.00 55.36 54.88 2dkp s GLN 30 Cb -0.11 -1.67 0.03 0.00 1.10 0.00 0.00 33.01 32.35 2dkp s GLN 30 CO 0.15 0.45 0.67 -0.51 -0.55 0.00 0.00 175.29 175.50 2dkp s ASP 31 N -0.65 5.44 -0.32 6.67 1.11 -1.23 -3.96 116.67 123.73 2dkp s ASP 31 Ca 0.08 -0.32 0.11 0.00 0.18 0.00 0.00 52.55 52.60 2dkp s ASP 31 Cb -0.08 -0.63 0.46 0.00 1.07 0.00 0.00 42.92 43.74 2dkp s ASP 31 CO -0.00 -0.98 1.14 -0.24 1.18 0.00 0.00 175.17 176.27 2dkp n SER 32 N -2.08 3.92 -3.82 0.27 2.88 -1.26 -4.43 113.62 109.10 2dkp n SER 32 Ca 0.09 -3.31 -0.30 0.00 -1.33 0.00 0.00 58.87 54.03 2dkp n SER 32 Cb 0.59 -0.41 -0.13 0.00 -0.75 0.00 0.00 64.21 63.51 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 -4.51 1.96 0.00 2.46 -4.23 -1.26 -4.96 115.64 105.10 2dkp s THR 33 Ca 0.44 -2.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.01 2dkp s THR 33 Cb 0.39 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.87 2dkp s THR 33 CO -0.02 -0.86 0.00 0.61 -0.54 0.00 0.00 174.62 173.81 2dkp n GLY 34 N 3.31 2.00 3.51 3.99 0.00 -1.26 -4.86 105.19 111.88 2dkp n GLY 34 Ca 0.07 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 3.58 -1.17 1.61 -1.94 -1.26 -5.05 119.30 115.08 2dkp s MET 35 Ca 0.00 -0.52 -0.15 0.00 -1.71 0.00 0.00 55.69 53.31 2dkp s MET 35 Cb 0.00 -2.88 0.15 0.00 2.01 0.00 0.00 34.83 34.11 2dkp s MET 35 CO 0.00 0.29 1.42 0.15 -0.01 0.00 0.00 175.02 176.87 2dkp s LYS 36 N 0.23 3.99 0.40 2.03 3.01 -1.26 -4.73 119.74 123.40 2dkp s LYS 36 Ca -0.03 -2.35 0.08 0.00 -1.01 0.00 0.00 55.97 52.66 2dkp s LYS 36 Cb -0.14 -5.10 -0.03 0.00 -1.01 0.00 0.00 37.83 31.55 2dkp s LYS 36 CO 0.03 -1.83 0.33 -0.51 0.51 0.00 0.00 175.35 173.88 2dkp s LEU 37 N 2.14 3.40 -0.14 3.17 1.43 -1.26 -4.93 118.68 122.49 2dkp s LEU 37 Ca 0.42 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2dkp s LEU 37 Cb -0.02 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2dkp s LEU 37 CO -0.01 -0.57 0.01 0.26 0.23 0.00 0.00 176.35 176.27 2dkp s TRP 38 N -2.45 3.16 -0.12 0.29 0.52 -1.26 -3.48 118.94 115.60 2dkp s TRP 38 Ca 0.46 0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.60 2dkp s TRP 38 Cb -0.03 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 2dkp s TRP 38 CO 0.27 0.24 -0.14 0.15 0.02 0.00 0.00 176.95 177.49 2dkp s LYS 39 N -0.15 3.32 -0.18 4.98 3.01 0.50 -4.92 119.74 126.30 2dkp s LYS 39 Ca 0.05 -0.69 -0.27 0.00 -1.01 0.00 0.00 55.97 54.05 2dkp s LYS 39 Cb -0.12 -2.60 -0.01 0.00 -1.01 0.00 0.00 37.83 34.09 2dkp s LYS 39 CO 0.02 0.24 0.91 0.21 0.51 0.00 0.00 175.35 177.24 2dkp s LYS 40 N 0.29 4.30 0.19 1.68 2.47 -1.26 -2.70 119.74 124.70 2dkp s LYS 40 Ca -0.10 1.16 -0.09 0.00 -1.56 0.00 0.00 55.97 55.37 2dkp s LYS 40 Cb -0.16 -3.59 -0.01 0.00 -1.46 0.00 0.00 37.83 32.61 2dkp s LYS 40 CO 0.06 -0.42 0.33 1.03 0.16 0.00 0.00 175.35 176.51 2dkp s ARG 41 N 2.44 1.27 -0.40 4.03 1.81 -1.22 -5.07 118.95 121.82 2dkp s ARG 41 Ca 0.41 -1.23 -0.18 0.00 -1.72 0.00 0.00 55.73 53.00 2dkp s ARG 41 Cb -0.16 0.40 0.01 0.00 -0.45 0.00 0.00 34.95 34.74 2dkp s ARG 41 CO 0.11 -0.48 0.52 -0.46 -0.68 0.00 0.00 175.30 174.31 2dkp s TRP 42 N -4.00 3.14 0.28 -0.53 -0.00 -1.25 -3.01 118.94 113.58 2dkp s TRP 42 Ca 0.21 -0.06 0.07 0.00 -0.00 0.00 0.00 56.10 56.31 2dkp s TRP 42 Cb 0.02 -3.03 -0.03 0.00 -0.00 0.00 0.00 33.47 30.44 2dkp s TRP 42 CO 0.04 -0.68 0.27 -0.06 -0.00 0.00 0.00 176.95 176.51 2dkp s PHE 43 N 2.42 3.09 -0.16 5.86 0.40 -1.04 -2.43 117.98 126.13 2dkp s PHE 43 Ca 0.18 -0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.23 2dkp s PHE 43 Cb -0.16 -1.58 0.05 0.00 0.51 0.00 0.00 43.02 41.84 2dkp s PHE 43 CO 0.15 0.37 0.40 0.08 0.70 0.00 0.00 175.22 176.92 2dkp s VAL 44 N -2.17 -0.01 -0.50 -0.44 1.01 0.58 -2.80 120.40 116.07 2dkp s VAL 44 Ca 0.36 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 2dkp s VAL 44 Cb -0.08 -0.58 0.13 0.00 0.00 0.00 0.00 36.38 35.85 2dkp s VAL 44 CO 0.26 0.02 0.40 -0.22 0.00 0.00 0.00 175.10 175.56 2dkp s LEU 45 N 0.79 5.83 -0.07 3.92 1.98 -0.53 -2.27 118.68 128.32 2dkp s LEU 45 Ca -0.05 -1.95 -0.14 0.00 -2.89 0.00 0.00 54.13 49.11 2dkp s LEU 45 Cb -0.06 -2.05 0.03 0.00 0.66 0.00 0.00 46.19 44.77 2dkp s LEU 45 CO -0.06 -0.71 0.34 -0.55 -1.89 0.00 0.00 176.35 173.47 2dkp s SER 46 N 2.79 -0.28 -1.15 3.68 0.15 -1.16 -1.18 113.70 116.55 2dkp s SER 46 Ca 0.06 0.39 -0.07 0.00 0.70 0.00 0.00 55.95 57.03 2dkp s SER 46 Cb -0.26 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.56 2dkp s SER 46 CO -0.00 -0.30 0.93 -0.67 1.20 0.00 0.00 173.24 174.40 2dkp n ASP 47 N 2.03 -5.64 -2.46 5.45 -0.08 -1.26 -2.14 116.55 112.45 2dkp n ASP 47 Ca -0.17 -0.42 -0.08 0.00 -1.51 0.00 0.00 54.79 52.60 2dkp n ASP 47 Cb 0.57 -4.27 -0.00 0.00 2.34 0.00 0.00 41.12 39.75 2dkp n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dkp n LEU 48 N -4.16 -0.71 -4.29 -2.67 4.77 -1.26 -4.88 117.00 103.80 2dkp n LEU 48 Ca -0.00 0.31 -0.18 0.00 -0.03 0.00 0.00 56.01 56.10 2dkp n LEU 48 Cb 0.56 -1.71 -0.09 0.00 -2.33 0.00 0.00 43.42 39.85 2dkp n LEU 48 CO 0.52 -0.08 -0.15 0.00 -1.33 0.00 0.00 177.39 176.35 2dkp s LEU 50 N -3.35 2.73 -0.04 0.00 1.43 0.16 -2.96 118.68 116.64 2dkp s LEU 50 Ca 0.38 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2dkp s LEU 50 Cb 0.04 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.69 2dkp s LEU 50 CO 0.22 0.25 0.10 -0.36 0.23 0.00 0.00 176.35 176.79 2dkp s PHE 51 N -0.16 -0.10 0.10 0.29 0.08 -0.96 -1.10 117.98 116.13 2dkp s PHE 51 Ca -0.01 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.35 2dkp s PHE 51 Cb -0.13 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.24 2dkp s PHE 51 CO 0.03 -0.09 -0.02 1.52 -0.10 0.00 0.00 175.22 176.56 2dkp s TYR 52 N 0.53 0.80 0.20 0.36 -0.85 -1.26 -0.31 117.35 116.83 2dkp s TYR 52 Ca -0.04 -1.05 -0.02 0.00 -0.52 0.00 0.00 57.07 55.44 2dkp s TYR 52 Cb -0.06 -0.49 -0.04 0.00 0.38 0.00 0.00 41.96 41.76 2dkp s TYR 52 CO -0.02 -0.31 0.16 0.71 -1.52 0.00 0.00 175.55 174.57 2dkp s TYR 53 N -3.82 1.05 0.22 -3.49 1.51 -1.02 -3.25 117.35 108.55 2dkp s TYR 53 Ca 0.14 -1.30 -0.13 0.00 -1.01 0.00 0.00 57.07 54.78 2dkp s TYR 53 Cb 0.07 -0.47 0.27 0.00 -0.11 0.00 0.00 41.96 41.71 2dkp s TYR 53 CO -0.04 -0.67 1.62 0.00 -1.11 0.00 0.00 175.55 175.35 2dkp h ARG 54 N 2.60 0.01 0.00 -0.62 2.47 -1.85 -3.33 114.38 113.67 2dkp h ARG 54 Ca -0.35 -0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.22 2dkp h ARG 54 Cb 1.25 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.53 2dkp h ARG 54 CO 0.52 0.00 -0.08 -0.40 0.56 0.00 0.00 179.97 180.57 2dkp n ASP 55 N -5.44 -0.72 -0.27 7.04 5.75 -1.26 -4.67 116.55 116.99 2dkp n ASP 55 Ca 0.09 -2.01 0.15 0.00 -0.01 0.00 0.00 54.79 53.01 2dkp n ASP 55 Cb 0.35 1.34 0.42 0.00 -1.03 0.00 0.00 41.12 42.21 2dkp n ASP 55 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2dkp h GLU 56 N 0.00 0.57 -1.53 0.11 4.11 -1.96 -0.19 114.58 115.69 2dkp h GLU 56 Ca -0.14 -0.03 0.44 0.00 0.07 0.00 0.00 59.36 59.70 2dkp h GLU 56 Cb 0.63 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 2dkp h GLU 56 CO 0.20 0.38 1.11 0.87 0.07 0.00 0.00 179.01 181.63 2dkp h LYS 57 N 0.59 0.00 -3.15 1.06 1.79 -1.97 -3.44 116.57 111.45 2dkp h LYS 57 Ca 0.47 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.56 2dkp h LYS 57 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2dkp h LYS 57 CO -0.22 0.00 -0.51 0.39 -1.08 0.00 0.00 179.45 178.03 2dkp n GLU 58 N -4.06 -2.40 -2.36 3.15 1.02 -0.09 -4.89 120.64 111.01 2dkp n GLU 58 Ca 0.34 0.91 -0.37 0.00 -0.02 0.00 0.00 57.16 58.02 2dkp n GLU 58 Cb 1.59 -5.52 -0.04 0.00 -0.02 0.00 0.00 31.44 27.45 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 -5.15 3.14 0.17 3.49 0.41 -1.26 -4.70 118.70 114.80 2dkp s GLU 59 Ca 0.08 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 2dkp s GLU 59 Cb -0.04 -4.96 0.00 0.00 -1.78 0.00 0.00 34.13 27.35 2dkp s GLU 59 CO 0.10 -2.57 0.00 0.41 -0.49 0.00 0.00 175.26 172.71 2dkp n GLY 60 N 6.48 -3.79 3.72 -1.39 0.00 -1.26 -4.72 105.19 104.24 2dkp n GLY 60 Ca 0.28 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.96 4.97 -0.02 -0.61 1.01 -1.26 -4.41 121.20 118.91 2dkp s ILE 61 Ca 0.00 1.51 0.11 0.00 0.00 0.00 0.00 60.65 62.27 2dkp s ILE 61 Cb 0.00 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 2dkp s ILE 61 CO 0.00 0.28 1.33 -0.07 0.00 0.00 0.00 174.94 176.48 2dkp h LEU 62 N 6.48 0.00 0.00 2.97 3.38 -1.91 -3.48 115.31 122.76 2dkp h LEU 62 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2dkp h LEU 62 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2dkp h LEU 62 CO 0.74 0.76 0.00 0.61 0.09 0.00 0.00 178.44 180.64 2dkp n GLY 63 N 1.30 1.65 3.90 0.83 0.00 -1.26 -5.13 105.19 106.48 2dkp n GLY 63 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 6.15 -0.09 1.61 1.04 -1.26 -4.00 113.70 117.15 2dkp s SER 64 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2dkp s SER 64 Cb 0.00 -1.81 0.02 0.00 0.10 0.00 0.00 66.02 64.33 2dkp s SER 64 CO 0.00 0.09 -0.08 -0.63 0.98 0.00 0.00 173.24 173.61 2dkp s ILE 65 N -1.65 0.95 -0.45 -1.02 1.01 -0.25 -5.02 121.20 114.76 2dkp s ILE 65 Ca 0.34 -0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 2dkp s ILE 65 Cb -0.11 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.42 2dkp s ILE 65 CO 0.27 0.34 1.08 -0.76 0.00 0.00 0.00 174.94 175.87 2dkp s LEU 66 N 1.44 3.76 0.09 2.97 2.01 -1.26 -0.67 118.68 127.02 2dkp s LEU 66 Ca -0.01 0.49 -0.16 0.00 0.01 0.00 0.00 54.13 54.46 2dkp s LEU 66 Cb -0.13 -3.47 -0.09 0.00 0.01 0.00 0.00 46.19 42.51 2dkp s LEU 66 CO -0.05 -1.15 1.42 -0.07 1.01 0.00 0.00 176.35 177.52 2dkp h LEU 67 N 10.89 0.68 -1.58 1.79 3.38 -1.88 -3.03 115.31 125.56 2dkp h LEU 67 Ca -0.23 -0.46 0.17 0.00 0.09 0.00 0.00 57.88 57.45 2dkp h LEU 67 Cb 1.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2dkp h LEU 67 CO 1.09 0.99 0.73 -0.65 0.09 0.00 0.00 178.44 180.69 2dkp h PRO 68 N 0.38 0.00 0.00 1.13 0.11 -1.73 0.99 132.00 132.87 2dkp h PRO 68 Ca 0.05 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 2dkp h PRO 68 Cb 0.79 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 2dkp h PRO 68 CO 0.06 0.00 -1.39 0.43 -0.21 0.00 0.00 178.00 176.89 2dkp n SER 69 N -3.42 0.65 -4.86 -2.05 7.64 -1.15 -4.69 113.62 105.74 2dkp n SER 69 Ca 0.12 0.27 -0.31 0.00 1.01 0.00 0.00 58.87 59.95 2dkp n SER 69 Cb 0.94 0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 64.76 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 -3.20 3.44 -0.31 1.43 0.08 0.34 -4.49 117.98 115.26 2dkp s PHE 70 Ca -0.03 1.15 -0.01 0.00 0.12 0.00 0.00 56.93 58.16 2dkp s PHE 70 Cb 0.10 -2.52 0.06 0.00 -0.57 0.00 0.00 43.02 40.09 2dkp s PHE 70 CO 0.82 -0.09 0.01 -1.14 -0.10 0.00 0.00 175.22 174.72 2dkp s GLN 71 N -3.64 2.28 -0.27 0.44 0.74 0.41 -4.74 119.66 114.89 2dkp s GLN 71 Ca 0.53 -1.39 -0.29 0.00 0.05 0.00 0.00 55.36 54.27 2dkp s GLN 71 Cb -0.10 -3.18 0.01 0.00 1.10 0.00 0.00 33.01 30.84 2dkp s GLN 71 CO 0.27 -0.69 1.04 0.42 -0.55 0.00 0.00 175.29 175.78 2dkp s ILE 72 N 1.19 4.62 -0.09 -2.34 -1.09 -1.26 -2.06 121.20 120.17 2dkp s ILE 72 Ca -0.03 1.86 -0.13 0.00 -2.23 0.00 0.00 60.65 60.12 2dkp s ILE 72 Cb -0.20 -4.34 0.03 0.00 -1.58 0.00 0.00 42.46 36.37 2dkp s ILE 72 CO -0.03 -0.30 0.33 0.00 -1.23 0.00 0.00 174.94 173.72 2dkp s ALA 73 N 3.36 -0.82 0.32 9.38 0.00 -1.03 -5.04 121.76 127.93 2dkp s ALA 73 Ca 0.44 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 2dkp s ALA 73 Cb -0.14 -0.36 -0.11 0.00 0.00 0.00 0.00 23.12 22.51 2dkp s ALA 73 CO 0.10 -0.19 1.53 -0.51 0.00 0.00 0.00 175.76 176.69 2dkp s LEU 74 N -0.28 4.34 0.97 0.00 2.01 -1.26 -2.82 118.68 121.63 2dkp s LEU 74 Ca -0.04 2.96 -0.14 0.00 0.01 0.00 0.00 54.13 56.92 2dkp s LEU 74 Cb -0.03 -3.65 -0.01 0.00 0.01 0.00 0.00 46.19 42.51 2dkp s LEU 74 CO 0.02 -0.87 0.10 0.18 1.01 0.00 0.00 176.35 176.78 2dkp n LEU 75 N 1.47 -1.69 -4.52 1.79 4.77 -1.26 -4.90 117.00 112.66 2dkp n LEU 75 Ca 0.05 0.28 -0.25 0.00 -0.03 0.00 0.00 56.01 56.07 2dkp n LEU 75 Cb 0.38 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.29 2dkp n LEU 75 CO 0.63 -4.21 -0.25 0.28 -1.33 0.00 0.00 177.39 172.51 2dkp s THR 76 N -2.30 1.13 0.26 -5.08 -1.32 -1.26 -4.99 115.64 102.08 2dkp s THR 76 Ca 0.53 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.90 2dkp s THR 76 Cb -0.20 -2.63 0.37 0.00 -1.51 0.00 0.00 72.50 68.53 2dkp s THR 76 CO 0.71 0.00 1.57 0.28 -2.21 0.00 0.00 174.62 174.98 2dkp h SER 77 N 1.90 -0.92 -0.73 8.08 0.02 -2.00 0.56 113.55 120.45 2dkp h SER 77 Ca -0.40 0.27 0.13 0.00 -0.84 0.00 0.00 61.79 60.95 2dkp h SER 77 Cb 1.26 0.58 -0.09 0.00 0.14 0.00 0.00 62.40 64.30 2dkp h SER 77 CO 0.68 -0.30 0.30 -0.33 -1.14 0.00 0.00 176.83 176.05 2dkp h GLU 78 N -0.01 0.46 -1.91 3.45 5.08 -2.03 -1.47 114.58 118.16 2dkp h GLU 78 Ca 0.42 -0.03 -0.55 0.00 -1.00 0.00 0.00 59.36 58.20 2dkp h GLU 78 Cb 0.65 -0.10 -0.20 0.00 0.50 0.00 0.00 28.75 29.60 2dkp h GLU 78 CO -0.93 0.31 0.55 -0.25 -1.00 0.00 0.00 179.01 177.69 2dkp n ASP 79 N -4.97 6.74 -3.56 1.42 8.00 0.19 -4.84 116.55 119.54 2dkp n ASP 79 Ca 0.13 -3.35 -0.39 0.00 0.71 0.00 0.00 54.79 51.89 2dkp n ASP 79 Cb 0.37 -1.17 -0.03 0.00 -0.02 0.00 0.00 41.12 40.26 2dkp n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dkp n HIS 80 N 0.46 2.38 -2.50 1.24 1.44 -0.56 -4.42 115.22 113.26 2dkp n HIS 80 Ca 0.49 -2.33 -0.41 0.00 -2.01 0.00 0.00 57.72 53.45 2dkp n HIS 80 Cb 0.49 -2.05 -0.04 0.00 0.12 0.00 0.00 29.99 28.52 2dkp n HIS 80 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2dkp s ILE 81 N 3.89 4.04 0.29 0.61 1.01 -1.26 -4.93 121.20 124.85 2dkp s ILE 81 Ca 0.52 1.61 0.03 0.00 0.00 0.00 0.00 60.65 62.81 2dkp s ILE 81 Cb 0.14 -4.03 0.29 0.00 0.01 0.00 0.00 42.46 38.87 2dkp s ILE 81 CO 0.01 0.20 1.68 0.78 0.00 0.00 0.00 174.94 177.61 2dkp h ASN 82 N 5.91 0.22 -1.10 3.58 2.35 -2.03 -3.32 115.58 121.18 2dkp h ASN 82 Ca -0.43 0.17 -0.37 0.00 -0.55 0.00 0.00 56.30 55.12 2dkp h ASN 82 Cb 1.21 0.18 -0.05 0.00 0.05 0.00 0.00 38.32 39.71 2dkp h ASN 82 CO 0.76 -0.05 0.94 -0.13 -1.65 0.00 0.00 177.43 177.30 2dkp s ARG 83 N -5.90 2.65 1.11 0.81 3.00 -1.26 -4.96 118.95 114.39 2dkp s ARG 83 Ca -0.12 -0.11 -0.19 0.00 0.00 0.00 0.00 55.73 55.32 2dkp s ARG 83 Cb 0.25 -4.89 0.28 0.00 0.00 0.00 0.00 34.95 30.59 2dkp s ARG 83 CO 0.77 -3.12 1.01 1.63 0.00 0.00 0.00 175.30 175.59 2dkp n LYS 84 N 8.95 -2.88 -3.64 3.54 5.02 -1.25 -4.26 118.16 123.63 2dkp n LYS 84 Ca 0.34 -1.61 -0.23 0.00 -2.02 0.00 0.00 58.31 54.79 2dkp n LYS 84 Cb 0.49 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 34.08 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 -4.61 -2.45 -4.14 2.13 4.02 -1.26 -4.77 117.16 106.08 2dkp n TYR 85 Ca 0.14 0.95 -0.10 0.00 -0.01 0.00 0.00 57.90 58.88 2dkp n TYR 85 Cb 0.54 -4.73 -0.10 0.00 -0.02 0.00 0.00 39.34 35.03 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 -3.38 0.81 0.42 -0.72 0.00 -1.26 -3.51 121.76 114.11 2dkp s ALA 86 Ca 0.37 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 51.09 2dkp s ALA 86 Cb -0.17 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2dkp s ALA 86 CO 0.76 -0.27 0.09 -0.59 0.00 0.00 0.00 175.76 175.76 2dkp s PHE 87 N -3.60 1.84 0.05 0.00 -0.71 0.37 -4.12 117.98 111.80 2dkp s PHE 87 Ca 0.09 -1.17 0.01 0.00 -1.04 0.00 0.00 56.93 54.82 2dkp s PHE 87 Cb 0.05 -1.27 -0.03 0.00 -1.21 0.00 0.00 43.02 40.56 2dkp s PHE 87 CO -0.06 -0.15 -0.06 -1.59 -1.34 0.00 0.00 175.22 172.02 2dkp s LYS 88 N -3.76 0.54 -0.15 1.99 -2.85 -1.13 -1.19 119.74 113.19 2dkp s LYS 88 Ca 0.22 -0.86 0.01 0.00 -1.00 0.00 0.00 55.97 54.35 2dkp s LYS 88 Cb 0.03 -0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.66 2dkp s LYS 88 CO 0.12 0.01 -0.18 0.00 0.10 0.00 0.00 175.35 175.40 2dkp s ALA 89 N -1.95 2.08 0.02 0.59 0.00 -0.29 -2.46 121.76 119.75 2dkp s ALA 89 Ca -0.06 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 2dkp s ALA 89 Cb -0.06 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 2dkp s ALA 89 CO -0.02 -0.24 0.38 0.00 0.00 0.00 0.00 175.76 175.88 2dkp s ALA 90 N 1.19 3.73 -0.00 0.00 0.00 -0.88 0.38 121.76 126.18 2dkp s ALA 90 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2dkp s ALA 90 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 2dkp s ALA 90 CO -0.08 0.53 -0.07 -1.58 0.00 0.00 0.00 175.76 174.56 2dkp s HIS 91 N -1.19 0.60 -0.06 0.00 2.46 -1.23 -0.45 115.29 115.43 2dkp s HIS 91 Ca 0.26 -0.13 -0.26 0.00 0.47 0.00 0.00 55.06 55.41 2dkp s HIS 91 Cb -0.15 -0.39 -0.23 0.00 -0.13 0.00 0.00 32.58 31.69 2dkp s HIS 91 CO 0.14 -0.01 1.06 -1.00 -2.47 0.00 0.00 174.74 172.46 2dkp h PRO 92 N 5.93 0.10 -0.45 2.88 0.13 -1.91 -3.26 132.00 135.42 2dkp h PRO 92 Ca -0.29 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2dkp h PRO 92 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dkp h PRO 92 CO 0.50 0.80 0.00 0.09 -0.23 0.00 0.00 178.00 179.16 2dkp n ASN 93 N -4.63 2.37 -2.18 1.44 3.02 -1.26 -4.92 115.26 109.10 2dkp n ASN 93 Ca -0.09 -2.04 -0.09 0.00 -0.03 0.00 0.00 54.58 52.33 2dkp n ASN 93 Cb 0.41 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 2dkp n ASN 93 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2dkp n MET 94 N 0.71 0.40 -1.90 3.52 2.81 -1.23 -5.18 117.12 116.25 2dkp n MET 94 Ca 0.14 -1.67 -0.17 0.00 -1.81 0.00 0.00 57.70 54.19 2dkp n MET 94 Cb 0.39 1.59 0.09 0.00 -0.71 0.00 0.00 33.22 34.58 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 -0.34 -0.06 -3.25 0.03 1.85 -1.26 -4.28 116.66 109.35 2dkp n ARG 95 Ca 0.01 -1.86 -0.40 0.00 -1.00 0.00 0.00 57.85 54.60 2dkp n ARG 95 Cb 0.35 -0.55 -0.07 0.00 -1.05 0.00 0.00 32.46 31.13 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 -2.27 5.09 0.68 8.89 2.01 -1.26 -3.50 115.64 125.27 2dkp s THR 96 Ca 0.48 0.87 -0.04 0.00 0.31 0.00 0.00 61.69 63.31 2dkp s THR 96 Cb -0.02 -3.82 0.08 0.00 0.01 0.00 0.00 72.50 68.74 2dkp s THR 96 CO 0.32 0.12 0.96 -0.31 -0.69 0.00 0.00 174.62 175.02 2dkp s TYR 97 N 2.12 2.54 -0.11 4.92 1.51 0.16 -4.80 117.35 123.68 2dkp s TYR 97 Ca 0.21 0.15 -0.05 0.00 -1.01 0.00 0.00 57.07 56.37 2dkp s TYR 97 Cb -0.16 -3.09 0.05 0.00 -0.11 0.00 0.00 41.96 38.65 2dkp s TYR 97 CO 0.09 -1.40 0.25 0.71 -1.11 0.00 0.00 175.55 174.09 2dkp s TYR 98 N -3.13 -0.34 -0.05 2.71 1.51 -1.25 -1.14 117.35 115.67 2dkp s TYR 98 Ca 0.62 0.80 0.03 0.00 -1.01 0.00 0.00 57.07 57.50 2dkp s TYR 98 Cb -0.09 0.04 0.01 0.00 -0.11 0.00 0.00 41.96 41.81 2dkp s TYR 98 CO 0.43 -0.24 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.45 2dkp s PHE 99 N 1.33 1.31 0.08 2.71 0.08 -0.33 -2.22 117.98 120.95 2dkp s PHE 99 Ca -0.09 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.58 2dkp s PHE 99 Cb -0.10 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 2dkp s PHE 99 CO -0.09 -0.19 -0.07 0.00 -0.10 0.00 0.00 175.22 174.78 2dkp n THR 101 N 0.43 0.00 0.08 0.00 -2.24 -1.23 -3.97 114.28 107.34 2dkp n THR 101 Ca -0.15 -1.44 -0.23 0.00 -2.27 0.00 0.00 64.05 59.96 2dkp n THR 101 Cb 0.59 0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.83 0.62 -4.03 3.42 5.19 -1.94 -3.48 116.42 117.03 2dkp h ASP 102 Ca -0.23 -0.92 -0.36 0.00 -0.62 0.00 0.00 57.03 54.90 2dkp h ASP 102 Cb 0.75 -0.20 -0.08 0.00 0.18 0.00 0.00 39.33 39.98 2dkp h ASP 102 CO 0.37 1.71 -0.29 0.35 -3.12 0.00 0.00 179.24 178.26 2dkp n THR 103 N -3.73 0.00 -0.08 0.35 -2.24 -1.26 -5.06 114.28 102.26 2dkp n THR 103 Ca -0.22 -1.48 -0.13 0.00 -2.27 0.00 0.00 64.05 59.95 2dkp n THR 103 Cb 1.03 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.96 0.92 0.59 3.38 0.00 -1.93 -3.26 103.07 103.72 2dkp h GLY 104 Ca -0.21 -1.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.05 2dkp h GLY 104 CO 0.34 0.93 -0.28 1.70 0.00 0.00 0.00 176.54 179.23 2dkp h LYS 105 N 0.66 -0.76 -1.51 4.80 3.11 -1.99 -1.70 116.57 119.18 2dkp h LYS 105 Ca 0.03 0.05 0.44 0.00 -2.81 0.00 0.00 60.65 58.36 2dkp h LYS 105 Cb 1.10 0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 32.44 2dkp h LYS 105 CO 0.11 -0.51 1.30 0.39 -2.81 0.00 0.00 179.45 177.93 2dkp n GLU 106 N -4.21 0.01 0.08 1.90 -0.58 -1.25 0.21 120.64 116.79 2dkp n GLU 106 Ca -0.10 1.02 -0.22 0.00 -0.42 0.00 0.00 57.16 57.44 2dkp n GLU 106 Cb 0.31 -2.44 -0.15 0.00 -0.57 0.00 0.00 31.44 28.59 2dkp n GLU 106 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2dkp h MET 107 N 0.00 0.38 -0.54 3.49 4.05 -1.49 -3.25 114.93 117.57 2dkp h MET 107 Ca 0.72 -0.65 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 2dkp h MET 107 Cb 3.30 0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 34.32 2dkp h MET 107 CO -0.01 1.31 0.22 1.05 0.23 0.00 0.00 176.91 179.71 2dkp h GLU 108 N -0.12 0.77 -0.28 0.39 4.11 0.34 0.64 114.58 120.43 2dkp h GLU 108 Ca -0.24 -0.11 -0.06 0.00 0.07 0.00 0.00 59.36 59.01 2dkp h GLU 108 Cb 1.90 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 2dkp h GLU 108 CO 0.18 0.63 -0.09 -0.07 0.07 0.00 0.00 179.01 179.73 2dkp h LEU 109 N 0.76 0.43 0.17 3.06 3.38 -1.29 -0.61 115.31 121.22 2dkp h LEU 109 Ca 0.18 -0.10 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 2dkp h LEU 109 Cb 0.15 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.81 2dkp h LEU 109 CO -0.02 0.57 -1.07 -0.50 0.09 0.00 0.00 178.44 177.51 2dkp h TRP 110 N 0.43 0.65 0.26 1.13 -0.00 -1.42 -3.30 115.95 113.70 2dkp h TRP 110 Ca 0.08 -0.47 -0.01 0.00 -0.00 0.00 0.00 58.89 58.49 2dkp h TRP 110 Cb 0.42 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.56 2dkp h TRP 110 CO 0.01 1.41 -0.13 0.52 -0.00 0.00 0.00 178.44 180.26 2dkp h MET 111 N -0.23 -0.34 -0.74 0.49 2.86 -0.79 0.39 114.93 116.57 2dkp h MET 111 Ca -0.19 0.02 0.29 0.00 -2.06 0.00 0.00 59.70 57.76 2dkp h MET 111 Cb 1.80 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 33.40 2dkp h MET 111 CO 0.17 -0.22 0.32 1.63 1.06 0.00 0.00 176.91 179.87 2dkp n LYS 112 N -3.09 -0.05 -0.02 1.72 4.76 -0.24 -0.45 118.16 120.80 2dkp n LYS 112 Ca -0.04 1.04 -0.00 0.00 -2.87 0.00 0.00 58.31 56.44 2dkp n LYS 112 Cb 0.14 -1.83 -0.00 0.00 -1.84 0.00 0.00 35.03 31.50 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 1.49 0.00 -0.84 7.82 0.00 -1.62 -3.23 119.26 122.87 2dkp h ALA 113 Ca 0.60 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.61 2dkp h ALA 113 Cb 1.52 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.19 2dkp h ALA 113 CO -0.60 0.00 -0.39 -1.33 0.00 0.00 0.00 179.25 176.93 2dkp n MET 114 N -2.94 -0.26 -0.26 0.00 2.81 0.14 0.13 117.12 116.73 2dkp n MET 114 Ca -0.00 1.29 0.07 0.00 -1.81 0.00 0.00 57.70 57.25 2dkp n MET 114 Cb 0.00 -1.90 0.21 0.00 -0.71 0.00 0.00 33.22 30.81 2dkp n MET 114 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2dkp h LEU 115 N 0.00 0.18 -1.97 4.03 -0.00 -0.94 0.53 115.31 117.15 2dkp h LEU 115 Ca 0.23 0.13 0.13 0.00 -0.00 0.00 0.00 57.88 58.37 2dkp h LEU 115 Cb 0.44 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 2dkp h LEU 115 CO -0.82 0.03 0.46 -0.78 -0.00 0.00 0.00 178.44 177.32 2dkp h ASP 116 N 0.36 0.00 0.08 -0.43 3.58 0.11 0.33 116.42 120.45 2dkp h ASP 116 Ca 0.44 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.52 2dkp h ASP 116 Cb 0.74 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.74 2dkp h ASP 116 CO -0.47 0.00 -2.23 0.00 -2.88 0.00 0.00 179.24 173.65 2dkp n ALA 117 N -2.36 1.22 0.11 -0.78 0.00 0.16 -4.43 120.51 114.44 2dkp n ALA 117 Ca 0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 53.44 52.49 2dkp n ALA 117 Cb 0.64 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 2dkp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkp h ALA 118 N 0.16 -0.29 -1.56 0.00 0.00 0.48 -2.94 119.26 115.12 2dkp h ALA 118 Ca -0.50 -0.17 0.50 0.00 0.00 0.00 0.00 54.91 54.74 2dkp h ALA 118 Cb 1.99 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.78 2dkp h ALA 118 CO 0.00 -0.51 1.06 1.47 0.00 0.00 0.00 179.25 181.27 2dkp n LEU 119 N -5.08 0.12 -3.79 0.00 -0.00 0.10 -4.48 117.00 103.88 2dkp n LEU 119 Ca -0.09 1.18 -0.40 0.00 -0.00 0.00 0.00 56.01 56.70 2dkp n LEU 119 Cb 0.23 -0.58 -0.02 0.00 -0.00 0.00 0.00 43.42 43.05 2dkp n LEU 119 CO 0.32 -1.25 -0.14 0.52 -0.00 0.00 0.00 177.39 176.84 2dkp n VAL 120 N -4.32 1.31 -2.84 1.47 0.31 -1.12 -4.86 118.33 108.29 2dkp n VAL 120 Ca 0.40 -0.43 -0.36 0.00 -0.01 0.00 0.00 64.34 63.94 2dkp n VAL 120 Cb 1.68 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 34.60 2dkp n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dkp n GLN 121 N 0.97 4.42 -3.95 5.55 1.13 -1.26 -4.89 117.38 119.36 2dkp n GLN 121 Ca 0.14 -4.72 -0.25 0.00 -1.94 0.00 0.00 57.00 50.22 2dkp n GLN 121 Cb 0.26 -2.38 -0.17 0.00 0.11 0.00 0.00 30.24 28.06 2dkp n GLN 121 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2dkp s THR 122 N -4.08 0.85 -0.29 5.09 -1.32 -1.26 -5.11 115.64 109.51 2dkp s THR 122 Ca 0.41 -0.19 -0.14 0.00 -1.21 0.00 0.00 61.69 60.56 2dkp s THR 122 Cb 0.20 -0.89 0.12 0.00 -1.51 0.00 0.00 72.50 70.42 2dkp s THR 122 CO -0.10 0.33 0.80 -0.55 -2.21 0.00 0.00 174.62 172.89 2dkp s SER 123 N 1.63 -0.83 -0.24 8.08 0.15 -1.26 -4.62 113.70 116.61 2dkp s SER 123 Ca 0.02 1.25 -0.28 0.00 0.70 0.00 0.00 55.95 57.64 2dkp s SER 123 Cb -0.13 1.62 0.15 0.00 -1.71 0.00 0.00 66.02 65.95 2dkp s SER 123 CO -0.06 -0.19 1.14 -0.83 1.20 0.00 0.00 173.24 174.51 2dkp s GLY 124 N 2.01 -0.07 0.88 9.45 0.00 -1.26 -5.18 107.32 113.15 2dkp s GLY 124 Ca -0.08 2.58 -0.15 0.00 0.00 0.00 0.00 44.72 47.08 2dkp s GLY 124 CO -0.18 1.40 1.12 -1.55 0.00 0.00 0.00 173.10 173.89 2dkp n PRO 125 N 1.21 -1.39 -3.53 2.90 -0.04 -1.26 -5.12 135.00 127.78 2dkp n PRO 125 Ca -0.09 -1.74 -0.14 0.00 -0.04 0.00 0.00 63.50 61.49 2dkp n PRO 125 Cb 0.57 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 2dkp n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dkp s SER 126 N -5.05 -0.49 -0.71 3.54 1.04 -1.26 -5.10 113.70 105.67 2dkp s SER 126 Ca 0.65 0.15 -0.26 0.00 0.48 0.00 0.00 55.95 56.97 2dkp s SER 126 Cb -0.02 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2dkp s SER 126 CO 0.46 -0.79 1.60 -0.55 0.98 0.00 0.00 173.24 174.94 2dkp s SER 127 N -2.16 5.70 0.00 7.02 0.15 -1.26 -5.25 113.70 117.89 2dkp s SER 127 Ca -0.03 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2dkp s SER 127 Cb -0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dkp s SER 127 CO -0.04 -2.13 0.00 0.61 1.20 0.00 0.00 173.24 172.88