#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkp n SER 2 N 0.00 5.67 -4.05 1.61 2.88 -1.26 -4.97 113.62 113.50 2dkp n SER 2 Ca 0.00 -3.76 -0.31 0.00 -1.33 0.00 0.00 58.87 53.47 2dkp n SER 2 Cb 0.00 -0.54 -0.16 0.00 -0.75 0.00 0.00 64.21 62.76 2dkp n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dkp s SER 3 N -3.06 2.89 0.00 -3.46 0.15 -1.26 -5.06 113.70 103.91 2dkp s SER 3 Ca 0.54 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2dkp s SER 3 Cb 0.43 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 2dkp s SER 3 CO -0.02 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dkp n GLY 4 N 4.71 0.80 3.14 9.45 0.00 -1.26 -4.99 105.19 117.04 2dkp n GLY 4 Ca -0.18 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 2dkp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkp s SER 5 N -4.00 5.42 -0.70 1.61 0.01 -1.26 -5.04 113.70 109.73 2dkp s SER 5 Ca 0.00 -2.22 -0.27 0.00 1.31 0.00 0.00 55.95 54.77 2dkp s SER 5 Cb 0.00 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.35 2dkp s SER 5 CO 0.00 -0.54 1.39 -0.44 0.41 0.00 0.00 173.24 174.06 2dkp s SER 6 N 1.79 6.00 0.00 2.44 0.01 -1.26 -4.62 113.70 118.06 2dkp s SER 6 Ca 0.10 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2dkp s SER 6 Cb -0.23 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2dkp s SER 6 CO -0.03 -1.92 0.00 0.61 0.41 0.00 0.00 173.24 172.30 2dkp n GLY 7 N 5.42 -0.19 3.36 3.44 0.00 -1.26 -5.15 105.19 110.81 2dkp n GLY 7 Ca 0.07 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2dkp n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkp s LYS 8 N 0.00 0.46 -0.37 1.61 1.02 -1.26 -5.11 119.74 116.08 2dkp s LYS 8 Ca 0.00 0.94 -0.41 0.00 0.02 0.00 0.00 55.97 56.53 2dkp s LYS 8 Cb 0.00 0.09 -0.16 0.00 -0.52 0.00 0.00 37.83 37.25 2dkp s LYS 8 CO 0.00 -0.17 1.93 -2.13 -0.92 0.00 0.00 175.35 174.05 2dkp n ARG 9 N 4.48 0.75 -3.63 1.68 3.00 -1.26 -4.90 116.66 116.79 2dkp n ARG 9 Ca -0.20 0.25 -0.40 0.00 -0.00 0.00 0.00 57.85 57.50 2dkp n ARG 9 Cb 0.55 -2.00 -0.10 0.00 0.00 0.00 0.00 32.46 30.91 2dkp n ARG 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dkp s SER 10 N 4.98 5.60 -0.16 6.15 0.15 -1.26 -4.95 113.70 124.21 2dkp s SER 10 Ca 1.07 -1.41 -0.22 0.00 0.70 0.00 0.00 55.95 56.09 2dkp s SER 10 Cb -1.16 -1.97 -0.19 0.00 -1.71 0.00 0.00 66.02 60.99 2dkp s SER 10 CO 0.64 -0.49 0.41 -0.55 1.20 0.00 0.00 173.24 174.44 2dkp h ASN 11 N 8.38 0.00 -2.06 5.45 -1.07 -2.09 -3.48 115.58 120.70 2dkp h ASN 11 Ca -0.23 -0.64 -0.59 0.00 0.07 0.00 0.00 56.30 54.91 2dkp h ASN 11 Cb 1.08 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.20 2dkp h ASN 11 CO 0.73 1.11 -0.63 -0.44 0.07 0.00 0.00 177.43 178.27 2dkp s SER 12 N -6.35 3.54 -0.10 6.14 0.01 -1.26 -5.14 113.70 110.53 2dkp s SER 12 Ca -0.20 -1.30 -0.02 0.00 1.31 0.00 0.00 55.95 55.74 2dkp s SER 12 Cb 0.01 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 2dkp s SER 12 CO 0.55 -0.39 -0.03 -0.63 0.41 0.00 0.00 173.24 173.15 2dkp s ILE 13 N -2.78 3.99 -0.18 1.44 1.01 -1.26 -5.11 121.20 118.31 2dkp s ILE 13 Ca 0.34 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 2dkp s ILE 13 Cb 0.07 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2dkp s ILE 13 CO 0.17 0.56 0.06 -0.75 0.00 0.00 0.00 174.94 174.98 2dkp s LYS 14 N -0.43 3.96 1.18 2.79 2.47 -1.26 -4.79 119.74 123.65 2dkp s LYS 14 Ca 0.07 -0.35 -0.15 0.00 -1.56 0.00 0.00 55.97 53.98 2dkp s LYS 14 Cb -0.12 -3.21 0.25 0.00 -1.46 0.00 0.00 37.83 33.29 2dkp s LYS 14 CO 0.02 0.26 0.73 -2.13 0.16 0.00 0.00 175.35 174.39 2dkp n ARG 15 N 3.57 -2.34 -3.92 4.03 0.63 -1.26 -5.01 116.66 112.36 2dkp n ARG 15 Ca -0.17 -0.66 -0.31 0.00 -0.92 0.00 0.00 57.85 55.80 2dkp n ARG 15 Cb 0.52 -2.03 -0.15 0.00 0.45 0.00 0.00 32.46 31.25 2dkp n ARG 15 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2dkp s ASN 16 N -2.24 4.41 0.18 6.15 2.47 -1.26 -5.02 114.94 119.64 2dkp s ASN 16 Ca 0.65 -1.84 -0.26 0.00 0.42 0.00 0.00 52.86 51.83 2dkp s ASN 16 Cb -0.22 -1.33 0.05 0.00 -1.45 0.00 0.00 41.25 38.29 2dkp s ASN 16 CO 0.66 -0.37 1.56 -0.65 -3.72 0.00 0.00 177.10 174.58 2dkp h PRO 17 N 7.81 -0.13 -0.60 0.43 0.11 -2.03 0.02 132.00 137.61 2dkp h PRO 17 Ca -0.09 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.15 2dkp h PRO 17 Cb 1.03 0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.06 2dkp h PRO 17 CO 0.49 -0.09 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.20 2dkp h ASN 18 N -0.14 -0.41 -0.30 -2.05 2.35 -2.05 -3.40 115.58 109.58 2dkp h ASN 18 Ca 0.20 0.16 -0.57 0.00 -0.55 0.00 0.00 56.30 55.55 2dkp h ASN 18 Cb 0.54 0.32 -0.06 0.00 0.05 0.00 0.00 38.32 39.17 2dkp h ASN 18 CO -0.81 -0.16 1.61 0.00 -1.65 0.00 0.00 177.43 176.43 2dkp n ALA 19 N -2.89 0.41 -1.63 -0.83 0.00 -0.01 -4.76 120.51 110.81 2dkp n ALA 19 Ca 0.08 -0.23 -0.56 0.00 0.00 0.00 0.00 53.44 52.72 2dkp n ALA 19 Cb 0.33 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.34 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 8.31 0.86 -2.56 0.00 -0.02 -1.26 -4.62 135.00 135.72 2dkp n PRO 20 Ca 0.58 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 2dkp n PRO 20 Cb 0.10 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.52 4.49 0.02 -1.45 1.01 -1.26 -4.41 120.40 120.32 2dkp s VAL 21 Ca 0.91 1.80 -0.27 0.00 0.00 0.00 0.00 61.98 64.42 2dkp s VAL 21 Cb -1.09 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 30.96 2dkp s VAL 21 CO 0.57 -0.18 1.15 0.58 0.00 0.00 0.00 175.10 177.22 2dkp h VAL 22 N 5.50 0.09 -1.78 2.92 2.07 -1.14 -3.48 116.25 120.43 2dkp h VAL 22 Ca -0.22 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2dkp h VAL 22 Cb 1.08 0.12 -0.21 0.00 -1.52 0.00 0.00 31.29 30.76 2dkp h VAL 22 CO 0.98 0.01 0.36 -0.60 0.02 0.00 0.00 177.57 178.34 2dkp s ARG 23 N -4.76 0.79 -0.02 1.57 6.06 -1.18 -5.02 118.95 116.38 2dkp s ARG 23 Ca -0.14 0.29 0.01 0.00 -2.50 0.00 0.00 55.73 53.39 2dkp s ARG 23 Cb 0.02 0.38 0.01 0.00 0.06 0.00 0.00 34.95 35.41 2dkp s ARG 23 CO 0.45 -0.23 -0.04 -0.98 -2.50 0.00 0.00 175.30 172.00 2dkp s ARG 24 N -0.92 0.60 0.07 5.12 1.70 -1.26 0.11 118.95 124.37 2dkp s ARG 24 Ca -0.05 -0.12 -0.26 0.00 -0.47 0.00 0.00 55.73 54.82 2dkp s ARG 24 Cb -0.01 -0.62 0.07 0.00 -0.57 0.00 0.00 34.95 33.82 2dkp s ARG 24 CO 0.04 0.00 0.65 0.20 -1.08 0.00 0.00 175.30 175.11 2dkp s GLY 25 N 0.48 -0.59 -0.88 3.88 0.00 -0.48 -5.00 107.32 104.73 2dkp s GLY 25 Ca -0.06 0.85 -0.25 0.00 0.00 0.00 0.00 44.72 45.27 2dkp s GLY 25 CO -0.00 0.48 1.99 -0.98 0.00 0.00 0.00 173.10 174.59 2dkp s TRP 26 N -2.73 1.73 0.42 1.90 0.52 -1.26 -2.27 118.94 117.25 2dkp s TRP 26 Ca -0.03 0.77 -0.03 0.00 0.02 0.00 0.00 56.10 56.84 2dkp s TRP 26 Cb -0.01 -3.98 -0.03 0.00 -1.15 0.00 0.00 33.47 28.29 2dkp s TRP 26 CO -0.04 -1.76 0.67 -1.17 0.02 0.00 0.00 176.95 174.68 2dkp s LEU 27 N 10.51 3.81 -0.18 2.99 2.96 -0.97 -4.87 118.68 132.93 2dkp s LEU 27 Ca 0.72 0.70 -0.03 0.00 -0.22 0.00 0.00 54.13 55.30 2dkp s LEU 27 Cb -0.08 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 2dkp s LEU 27 CO 0.01 -0.44 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.23 2dkp s TYR 28 N -2.54 2.96 -0.12 5.38 2.02 -1.24 -2.44 117.35 121.37 2dkp s TYR 28 Ca 0.44 -0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 56.43 2dkp s TYR 28 Cb -0.10 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 2dkp s TYR 28 CO 0.41 -0.28 0.21 0.21 -1.57 0.00 0.00 175.55 174.53 2dkp s LYS 29 N 0.84 3.81 -0.17 -0.62 2.47 0.16 -3.37 119.74 122.85 2dkp s LYS 29 Ca -0.01 -0.01 -0.06 0.00 -1.56 0.00 0.00 55.97 54.32 2dkp s LYS 29 Cb -0.15 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 32.91 2dkp s LYS 29 CO 0.01 0.58 0.04 -1.14 0.16 0.00 0.00 175.35 175.00 2dkp s GLN 30 N -0.51 3.90 0.12 4.03 0.74 -0.77 -0.18 119.66 126.98 2dkp s GLN 30 Ca 0.16 -0.39 -0.20 0.00 0.05 0.00 0.00 55.36 54.98 2dkp s GLN 30 Cb -0.13 -3.13 -0.07 0.00 1.10 0.00 0.00 33.01 30.78 2dkp s GLN 30 CO 0.05 0.27 0.62 -0.51 -0.55 0.00 0.00 175.29 175.17 2dkp s ASP 31 N 0.36 7.10 -0.58 6.67 1.11 -1.22 -4.35 116.67 125.77 2dkp s ASP 31 Ca 0.01 1.33 0.00 0.00 0.18 0.00 0.00 52.55 54.08 2dkp s ASP 31 Cb -0.13 -2.39 0.46 0.00 1.07 0.00 0.00 42.92 41.93 2dkp s ASP 31 CO 0.01 0.22 1.85 -0.24 1.18 0.00 0.00 175.17 178.19 2dkp n SER 32 N 1.48 7.01 -3.63 0.27 2.88 -1.26 -4.35 113.62 116.01 2dkp n SER 32 Ca -0.08 -3.78 -0.08 0.00 -1.33 0.00 0.00 58.87 53.60 2dkp n SER 32 Cb 0.50 -0.84 -0.07 0.00 -0.75 0.00 0.00 64.21 63.06 2dkp n SER 32 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dkp s THR 33 N -4.74 0.00 0.00 2.46 -1.32 -1.26 -4.98 115.64 105.80 2dkp s THR 33 Ca 0.62 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.10 2dkp s THR 33 Cb 0.49 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 2dkp s THR 33 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2dkp n GLY 34 N 1.89 1.49 3.61 6.08 0.00 -1.26 -4.78 105.19 112.22 2dkp n GLY 34 Ca -0.11 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2dkp n GLY 34 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dkp s MET 35 N 0.00 0.74 -0.24 1.61 0.00 -1.26 -5.03 119.30 115.13 2dkp s MET 35 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 55.69 56.39 2dkp s MET 35 Cb 0.00 0.36 0.24 0.00 0.00 0.00 0.00 34.83 35.43 2dkp s MET 35 CO 0.00 -0.13 1.68 1.63 0.00 0.00 0.00 175.02 178.21 2dkp n LYS 36 N 2.12 1.62 -2.41 3.16 4.01 -1.26 -4.43 118.16 120.97 2dkp n LYS 36 Ca -0.14 -1.34 -0.30 0.00 -0.51 0.00 0.00 58.31 56.03 2dkp n LYS 36 Cb 0.56 -1.52 -0.01 0.00 -0.51 0.00 0.00 35.03 33.55 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 -1.51 3.54 -0.23 -0.35 1.43 -1.26 -4.87 118.68 115.43 2dkp s LEU 37 Ca 0.26 1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 54.47 2dkp s LEU 37 Cb 0.21 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 2dkp s LEU 37 CO 0.02 -0.64 0.09 0.26 0.23 0.00 0.00 176.35 176.32 2dkp s TRP 38 N -2.79 3.18 0.02 0.29 0.52 -1.26 -3.38 118.94 115.51 2dkp s TRP 38 Ca 0.52 -0.11 -0.09 0.00 0.02 0.00 0.00 56.10 56.44 2dkp s TRP 38 Cb -0.10 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 29.97 2dkp s TRP 38 CO 0.44 -0.10 0.33 0.15 0.02 0.00 0.00 176.95 177.78 2dkp s LYS 39 N 1.10 3.69 -0.13 4.98 -0.14 0.74 -4.89 119.74 125.10 2dkp s LYS 39 Ca 0.05 0.10 -0.14 0.00 -1.36 0.00 0.00 55.97 54.61 2dkp s LYS 39 Cb -0.14 -3.09 -0.05 0.00 -1.68 0.00 0.00 37.83 32.87 2dkp s LYS 39 CO 0.04 0.64 0.34 0.21 -0.76 0.00 0.00 175.35 175.82 2dkp s LYS 40 N -1.60 4.18 0.05 1.68 2.36 -1.26 -0.67 119.74 124.48 2dkp s LYS 40 Ca 0.27 0.20 -0.27 0.00 -2.55 0.00 0.00 55.97 53.62 2dkp s LYS 40 Cb -0.14 -3.38 0.08 0.00 -1.05 0.00 0.00 37.83 33.33 2dkp s LYS 40 CO 0.15 0.32 0.68 0.50 1.55 0.00 0.00 175.35 178.55 2dkp s ARG 41 N 0.18 1.12 -0.00 4.03 6.06 -1.02 -4.98 118.95 124.34 2dkp s ARG 41 Ca 0.19 -0.15 -0.30 0.00 -2.50 0.00 0.00 55.73 52.97 2dkp s ARG 41 Cb -0.14 0.52 -0.04 0.00 0.06 0.00 0.00 34.95 35.35 2dkp s ARG 41 CO 0.07 -0.44 1.14 -0.46 -2.50 0.00 0.00 175.30 173.11 2dkp s TRP 42 N -2.60 3.41 0.06 5.12 -0.00 -1.26 -2.30 118.94 121.37 2dkp s TRP 42 Ca -0.03 1.37 0.09 0.00 -0.00 0.00 0.00 56.10 57.53 2dkp s TRP 42 Cb -0.01 -3.34 -0.03 0.00 -0.00 0.00 0.00 33.47 30.09 2dkp s TRP 42 CO -0.03 -0.96 -0.24 -0.06 -0.00 0.00 0.00 176.95 175.66 2dkp s PHE 43 N 1.50 2.10 -0.02 5.86 0.40 -0.96 -2.91 117.98 123.95 2dkp s PHE 43 Ca 0.56 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.50 2dkp s PHE 43 Cb -0.25 -1.23 0.01 0.00 0.51 0.00 0.00 43.02 42.06 2dkp s PHE 43 CO 0.26 0.16 -0.03 0.08 0.70 0.00 0.00 175.22 176.38 2dkp s VAL 44 N -0.88 0.36 -0.55 -0.44 1.01 0.36 -1.38 120.40 118.88 2dkp s VAL 44 Ca 0.10 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 2dkp s VAL 44 Cb -0.10 -0.37 0.14 0.00 0.00 0.00 0.00 36.38 36.05 2dkp s VAL 44 CO 0.03 0.15 0.50 -0.22 0.00 0.00 0.00 175.10 175.56 2dkp s LEU 45 N 0.50 6.17 0.04 3.92 1.98 0.12 -2.59 118.68 128.82 2dkp s LEU 45 Ca -0.06 -1.87 -0.03 0.00 -2.89 0.00 0.00 54.13 49.28 2dkp s LEU 45 Cb -0.09 -2.18 -0.02 0.00 0.66 0.00 0.00 46.19 44.55 2dkp s LEU 45 CO -0.01 -0.82 0.03 -0.44 -1.89 0.00 0.00 176.35 173.22 2dkp s SER 46 N 3.37 0.29 -1.04 3.68 0.01 -1.21 -0.52 113.70 118.29 2dkp s SER 46 Ca 0.04 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2dkp s SER 46 Cb -0.28 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2dkp s SER 46 CO 0.02 -0.50 0.00 0.47 0.41 0.00 0.00 173.24 173.64 2dkp n ASP 47 N 0.72 -3.81 -2.90 2.44 9.92 -1.26 -0.18 116.55 121.47 2dkp n ASP 47 Ca -0.18 0.21 -0.21 0.00 -0.53 0.00 0.00 54.79 54.08 2dkp n ASP 47 Cb 0.59 -3.26 0.01 0.00 -0.64 0.00 0.00 41.12 37.82 2dkp n ASP 47 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dkp n LEU 48 N -2.76 -2.03 0.00 0.64 7.99 -1.26 -4.95 117.00 114.63 2dkp n LEU 48 Ca -0.14 -0.18 -0.21 0.00 -0.01 0.00 0.00 56.01 55.46 2dkp n LEU 48 Cb 0.60 -2.63 -0.07 0.00 -0.11 0.00 0.00 43.42 41.21 2dkp n LEU 48 CO 0.17 0.08 -0.12 0.00 -1.51 0.00 0.00 177.39 176.00 2dkp s LEU 50 N 0.00 2.72 -0.00 0.00 1.43 0.22 -3.29 118.68 119.74 2dkp s LEU 50 Ca 0.30 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2dkp s LEU 50 Cb 0.01 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 2dkp s LEU 50 CO 0.21 0.13 -0.04 -0.36 0.23 0.00 0.00 176.35 176.53 2dkp s PHE 51 N 0.53 0.35 0.10 0.29 0.08 -1.07 -0.10 117.98 118.17 2dkp s PHE 51 Ca -0.08 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 56.93 2dkp s PHE 51 Cb -0.16 -0.24 -0.04 0.00 -0.57 0.00 0.00 43.02 42.02 2dkp s PHE 51 CO 0.04 -0.01 -0.07 1.52 -0.10 0.00 0.00 175.22 176.59 2dkp s TYR 52 N -0.05 0.95 0.22 0.36 -0.85 -1.25 -0.49 117.35 116.24 2dkp s TYR 52 Ca 0.01 -0.85 0.00 0.00 -0.52 0.00 0.00 57.07 55.71 2dkp s TYR 52 Cb -0.02 -0.53 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 2dkp s TYR 52 CO -0.00 -0.10 0.11 0.71 -1.52 0.00 0.00 175.55 174.74 2dkp s TYR 53 N -3.37 1.30 0.35 -3.49 1.51 -1.15 -3.44 117.35 109.06 2dkp s TYR 53 Ca 0.11 -1.28 0.05 0.00 -1.01 0.00 0.00 57.07 54.95 2dkp s TYR 53 Cb 0.03 -0.70 0.72 0.00 -0.11 0.00 0.00 41.96 41.91 2dkp s TYR 53 CO -0.03 -0.49 1.94 0.00 -1.11 0.00 0.00 175.55 175.86 2dkp h ARG 54 N 2.54 0.77 -3.23 -0.62 2.47 -1.82 -3.35 114.38 111.14 2dkp h ARG 54 Ca -0.37 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.24 2dkp h ARG 54 Cb 1.24 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 2dkp h ARG 54 CO 0.57 0.51 0.17 -0.51 0.56 0.00 0.00 179.97 181.27 2dkp s ASP 55 N -6.14 0.17 0.32 7.04 1.11 -1.26 -4.81 116.67 113.10 2dkp s ASP 55 Ca -0.10 -1.18 0.17 0.00 0.18 0.00 0.00 52.55 51.62 2dkp s ASP 55 Cb 0.20 0.81 0.91 0.00 1.07 0.00 0.00 42.92 45.90 2dkp s ASP 55 CO 0.78 -1.59 1.45 -1.84 1.18 0.00 0.00 175.17 175.15 2dkp n GLU 56 N -0.53 0.11 0.32 8.23 0.28 -1.26 -0.94 120.64 126.85 2dkp n GLU 56 Ca -0.06 0.60 0.20 0.00 -0.16 0.00 0.00 57.16 57.73 2dkp n GLU 56 Cb 0.60 -2.03 1.09 0.00 1.43 0.00 0.00 31.44 32.53 2dkp n GLU 56 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2dkp h LYS 57 N 0.00 0.00 -6.33 3.44 1.57 -1.96 -3.46 116.57 109.83 2dkp h LYS 57 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 2dkp h LYS 57 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2dkp h LYS 57 CO 0.00 0.00 -0.88 0.39 -0.57 0.00 0.00 179.45 178.40 2dkp n GLU 58 N -3.37 -3.51 -4.00 3.15 1.02 -0.12 -4.96 120.64 108.85 2dkp n GLU 58 Ca -0.03 0.48 -0.35 0.00 -0.02 0.00 0.00 57.16 57.24 2dkp n GLU 58 Cb 0.09 -4.68 -0.14 0.00 -0.02 0.00 0.00 31.44 26.69 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 -6.28 3.40 0.11 3.49 2.02 -1.26 -4.93 118.70 115.25 2dkp s GLU 59 Ca 0.07 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2dkp s GLU 59 Cb -0.02 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.23 2dkp s GLU 59 CO 0.86 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.41 2dkp n GLY 60 N 4.62 -5.57 3.76 -1.39 0.00 -1.26 -4.62 105.19 100.73 2dkp n GLY 60 Ca -0.18 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.55 2.92 -0.07 -0.61 -1.09 -1.26 -4.62 121.20 115.92 2dkp s ILE 61 Ca 0.00 0.50 0.05 0.00 -2.23 0.00 0.00 60.65 58.97 2dkp s ILE 61 Cb 0.00 -3.10 -0.07 0.00 -1.58 0.00 0.00 42.46 37.71 2dkp s ILE 61 CO 0.00 -0.19 0.13 0.18 -1.23 0.00 0.00 174.94 173.83 2dkp n LEU 62 N -1.97 0.06 0.00 2.97 4.77 -1.22 -5.06 117.00 116.55 2dkp n LEU 62 Ca 0.12 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2dkp n LEU 62 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2dkp n LEU 62 CO 0.45 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2dkp n GLY 63 N 1.92 3.44 3.61 -0.72 0.00 -1.26 -5.09 105.19 107.09 2dkp n GLY 63 Ca -0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 4.65 -0.16 1.61 1.04 -1.26 -3.76 113.70 115.82 2dkp s SER 64 Ca 0.00 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.23 2dkp s SER 64 Cb 0.00 -1.04 0.01 0.00 0.10 0.00 0.00 66.02 65.09 2dkp s SER 64 CO 0.00 0.23 -0.20 -0.63 0.98 0.00 0.00 173.24 173.62 2dkp s ILE 65 N -1.12 2.15 -0.41 -1.02 1.01 0.86 -4.96 121.20 117.69 2dkp s ILE 65 Ca 0.20 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2dkp s ILE 65 Cb -0.11 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.49 2dkp s ILE 65 CO 0.11 0.54 1.40 -0.76 0.00 0.00 0.00 174.94 176.24 2dkp s LEU 66 N 0.97 3.59 0.08 2.97 2.01 -1.26 -0.61 118.68 126.42 2dkp s LEU 66 Ca -0.03 0.81 -0.15 0.00 0.01 0.00 0.00 54.13 54.78 2dkp s LEU 66 Cb -0.15 -3.54 -0.15 0.00 0.01 0.00 0.00 46.19 42.36 2dkp s LEU 66 CO -0.05 -1.43 1.30 -0.07 1.01 0.00 0.00 176.35 177.10 2dkp h LEU 67 N 12.18 0.80 -1.51 1.79 3.38 -1.80 -3.15 115.31 127.00 2dkp h LEU 67 Ca -0.27 -0.61 0.13 0.00 0.09 0.00 0.00 57.88 57.22 2dkp h LEU 67 Cb 1.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2dkp h LEU 67 CO 1.09 1.27 0.70 -0.65 0.09 0.00 0.00 178.44 180.94 2dkp h PRO 68 N 0.37 0.00 0.00 1.13 0.11 -0.79 1.01 132.00 133.83 2dkp h PRO 68 Ca -0.03 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 2dkp h PRO 68 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2dkp h PRO 68 CO 0.12 0.00 -1.54 0.43 -0.21 0.00 0.00 178.00 176.80 2dkp n SER 69 N -3.28 0.47 -4.89 -2.05 7.64 -1.19 -4.81 113.62 105.51 2dkp n SER 69 Ca 0.09 0.19 -0.29 0.00 1.01 0.00 0.00 58.87 59.87 2dkp n SER 69 Cb 0.87 1.03 -0.00 0.00 -1.01 0.00 0.00 64.21 65.09 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 -3.30 3.58 -0.27 1.43 0.08 0.35 -4.50 117.98 115.34 2dkp s PHE 70 Ca -0.04 0.97 0.02 0.00 0.12 0.00 0.00 56.93 58.00 2dkp s PHE 70 Cb 0.11 -2.44 0.07 0.00 -0.57 0.00 0.00 43.02 40.19 2dkp s PHE 70 CO 0.84 -0.39 -0.03 -1.14 -0.10 0.00 0.00 175.22 174.40 2dkp s GLN 71 N -4.81 1.66 -0.26 0.44 0.74 0.61 -4.76 119.66 113.28 2dkp s GLN 71 Ca 0.50 -1.29 -0.29 0.00 0.05 0.00 0.00 55.36 54.33 2dkp s GLN 71 Cb -0.10 -2.75 0.01 0.00 1.10 0.00 0.00 33.01 31.27 2dkp s GLN 71 CO 0.47 -0.71 1.05 0.42 -0.55 0.00 0.00 175.29 175.96 2dkp s ILE 72 N 1.23 4.62 -0.07 -2.34 -1.09 -1.26 -1.47 121.20 120.82 2dkp s ILE 72 Ca -0.01 1.91 -0.06 0.00 -2.23 0.00 0.00 60.65 60.26 2dkp s ILE 72 Cb -0.19 -4.34 0.02 0.00 -1.58 0.00 0.00 42.46 36.37 2dkp s ILE 72 CO -0.08 -0.28 0.18 0.00 -1.23 0.00 0.00 174.94 173.53 2dkp s ALA 73 N 3.35 -0.44 0.29 9.38 0.00 -0.83 -5.02 121.76 128.50 2dkp s ALA 73 Ca 0.44 0.60 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 2dkp s ALA 73 Cb -0.14 -0.36 -0.14 0.00 0.00 0.00 0.00 23.12 22.47 2dkp s ALA 73 CO 0.09 -0.11 0.78 1.28 0.00 0.00 0.00 175.76 177.80 2dkp n LEU 74 N 3.30 0.58 -4.37 0.00 7.99 -1.26 -3.03 117.00 120.21 2dkp n LEU 74 Ca -0.16 1.11 -0.31 0.00 -0.01 0.00 0.00 56.01 56.64 2dkp n LEU 74 Cb 0.57 -1.16 0.20 0.00 -0.11 0.00 0.00 43.42 42.92 2dkp n LEU 74 CO 0.19 -2.16 -0.11 0.18 -1.51 0.00 0.00 177.39 173.98 2dkp n LEU 75 N 1.44 -1.66 -4.27 2.23 4.77 -1.26 -4.82 117.00 113.43 2dkp n LEU 75 Ca 0.12 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 2dkp n LEU 75 Cb 0.32 -1.10 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 2dkp n LEU 75 CO 0.58 -3.18 -0.23 0.28 -1.33 0.00 0.00 177.39 173.51 2dkp s THR 76 N -2.32 0.25 0.11 -5.08 -1.32 -1.26 -5.06 115.64 100.97 2dkp s THR 76 Ca 0.61 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.89 2dkp s THR 76 Cb -0.18 -2.55 -0.08 0.00 -1.51 0.00 0.00 72.50 68.19 2dkp s THR 76 CO 0.66 0.00 1.73 0.28 -2.21 0.00 0.00 174.62 175.08 2dkp h SER 77 N 2.43 0.23 -1.16 8.08 0.02 -1.99 -2.17 113.55 118.99 2dkp h SER 77 Ca -0.36 -0.05 0.33 0.00 -0.84 0.00 0.00 61.79 60.87 2dkp h SER 77 Cb 1.25 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 2dkp h SER 77 CO 0.54 0.21 0.82 -0.08 -1.14 0.00 0.00 176.83 177.19 2dkp h GLU 78 N 0.22 0.05 -1.00 3.45 4.22 -2.02 0.30 114.58 119.80 2dkp h GLU 78 Ca 0.07 -0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.62 2dkp h GLU 78 Cb 0.03 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 2dkp h GLU 78 CO -0.01 0.04 0.63 0.22 -2.18 0.00 0.00 179.01 177.71 2dkp h ASP 79 N 0.05 0.93 -1.76 1.04 3.58 -1.80 -3.45 116.42 115.01 2dkp h ASP 79 Ca 0.57 0.04 -0.37 0.00 0.42 0.00 0.00 57.03 57.69 2dkp h ASP 79 Cb 2.15 -0.15 -0.08 0.00 1.72 0.00 0.00 39.33 42.97 2dkp h ASP 79 CO -0.05 0.51 -0.41 1.41 -2.88 0.00 0.00 179.24 177.82 2dkp n HIS 80 N -4.60 -0.44 -3.42 0.28 8.25 0.10 -4.95 115.22 110.43 2dkp n HIS 80 Ca 0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 2dkp n HIS 80 Cb 0.34 -3.38 -0.10 0.00 1.12 0.00 0.00 29.99 27.97 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 -2.80 5.20 0.00 1.59 1.01 -1.26 -4.96 121.20 119.98 2dkp s ILE 81 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2dkp s ILE 81 Cb 0.00 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 38.44 2dkp s ILE 81 CO 0.00 -0.24 2.79 -3.20 0.00 0.00 0.00 174.94 174.29 2dkp n ASN 82 N 5.31 5.23 -4.43 3.58 2.85 -1.26 -4.83 115.26 121.70 2dkp n ASN 82 Ca -0.10 -2.43 -0.33 0.00 -0.11 0.00 0.00 54.58 51.61 2dkp n ASN 82 Cb 0.48 -1.26 -0.14 0.00 1.24 0.00 0.00 39.78 40.10 2dkp n ASN 82 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2dkp s ARG 83 N 0.53 2.61 0.32 1.20 1.81 -1.26 -5.13 118.95 119.03 2dkp s ARG 83 Ca 0.34 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 53.66 2dkp s ARG 83 Cb 0.16 -2.38 -0.02 0.00 -0.45 0.00 0.00 34.95 32.26 2dkp s ARG 83 CO 0.00 0.54 0.47 0.15 -0.68 0.00 0.00 175.30 175.78 2dkp s LYS 84 N -0.52 3.27 -1.61 3.54 1.02 -1.26 -4.44 119.74 119.75 2dkp s LYS 84 Ca 0.07 -0.76 -0.14 0.00 0.02 0.00 0.00 55.97 55.15 2dkp s LYS 84 Cb -0.12 -2.79 0.11 0.00 -0.52 0.00 0.00 37.83 34.52 2dkp s LYS 84 CO 0.01 0.15 0.78 0.66 -0.92 0.00 0.00 175.35 176.04 2dkp n TYR 85 N -1.64 -1.88 -4.29 3.18 4.01 -1.26 -4.55 117.16 110.72 2dkp n TYR 85 Ca -0.04 0.82 -0.21 0.00 -0.16 0.00 0.00 57.90 58.32 2dkp n TYR 85 Cb 0.57 -3.38 -0.11 0.00 -0.31 0.00 0.00 39.34 36.11 2dkp n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dkp s ALA 86 N -3.41 1.80 0.29 -0.72 0.00 -1.26 -2.80 121.76 115.66 2dkp s ALA 86 Ca 0.59 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2dkp s ALA 86 Cb -0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2dkp s ALA 86 CO 0.89 0.22 0.13 1.97 0.00 0.00 0.00 175.76 178.98 2dkp n PHE 87 N 0.53 -0.08 -3.91 0.00 -1.74 -0.07 -4.22 117.46 107.97 2dkp n PHE 87 Ca -0.15 -1.96 -0.11 0.00 -0.56 0.00 0.00 57.45 54.67 2dkp n PHE 87 Cb 0.56 0.05 -0.13 0.00 1.52 0.00 0.00 39.48 41.49 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 -3.10 0.14 -0.19 3.97 -2.85 -1.17 -2.34 119.74 114.20 2dkp s LYS 88 Ca 0.19 -0.22 -0.00 0.00 -1.00 0.00 0.00 55.97 54.94 2dkp s LYS 88 Cb 0.01 0.05 0.01 0.00 -2.06 0.00 0.00 37.83 35.84 2dkp s LYS 88 CO 0.13 -0.02 -0.16 0.00 0.10 0.00 0.00 175.35 175.40 2dkp s ALA 89 N -0.56 2.46 -0.02 0.59 0.00 0.13 -1.96 121.76 122.40 2dkp s ALA 89 Ca -0.06 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 2dkp s ALA 89 Cb -0.04 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 2dkp s ALA 89 CO -0.00 -0.36 0.37 0.00 0.00 0.00 0.00 175.76 175.77 2dkp s ALA 90 N 1.32 3.72 -0.01 0.00 0.00 -0.54 0.68 121.76 126.93 2dkp s ALA 90 Ca 0.05 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.76 2dkp s ALA 90 Cb -0.13 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 2dkp s ALA 90 CO -0.10 0.50 -0.10 -1.58 0.00 0.00 0.00 175.76 174.47 2dkp s HIS 91 N -1.06 0.95 -0.07 0.00 2.46 -1.24 -0.29 115.29 116.05 2dkp s HIS 91 Ca 0.23 -0.19 -0.27 0.00 0.47 0.00 0.00 55.06 55.30 2dkp s HIS 91 Cb -0.16 -0.62 -0.23 0.00 -0.13 0.00 0.00 32.58 31.44 2dkp s HIS 91 CO 0.12 -0.03 1.05 -1.00 -2.47 0.00 0.00 174.74 172.41 2dkp h PRO 92 N 5.95 -0.00 -0.31 2.88 0.13 -1.91 -3.25 132.00 135.48 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 32.30 2dkp h PRO 92 CO 0.49 0.69 0.00 0.09 -0.23 0.00 0.00 178.00 179.04 2dkp n ASN 93 N -4.76 1.85 -2.42 1.44 3.02 -1.26 -4.91 115.26 108.23 2dkp n ASN 93 Ca -0.09 -1.93 -0.11 0.00 -0.03 0.00 0.00 54.58 52.42 2dkp n ASN 93 Cb 0.34 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.49 0.46 -2.44 3.52 2.81 -1.23 -5.18 117.12 115.55 2dkp n MET 94 Ca 0.13 -2.01 -0.25 0.00 -1.81 0.00 0.00 57.70 53.76 2dkp n MET 94 Cb 0.31 1.88 0.13 0.00 -0.71 0.00 0.00 33.22 34.82 2dkp n MET 94 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2dkp s ARG 95 N -2.62 1.43 -0.25 0.03 1.70 -1.26 -4.22 118.95 113.76 2dkp s ARG 95 Ca 0.21 -0.95 -0.22 0.00 -0.47 0.00 0.00 55.73 54.30 2dkp s ARG 95 Cb -0.00 -2.22 -0.01 0.00 -0.57 0.00 0.00 34.95 32.14 2dkp s ARG 95 CO 0.15 -1.67 0.70 0.99 -1.08 0.00 0.00 175.30 174.39 2dkp s THR 96 N -3.32 4.93 0.64 4.99 2.01 -1.26 -3.62 115.64 120.02 2dkp s THR 96 Ca 0.68 1.27 -0.04 0.00 0.31 0.00 0.00 61.69 63.91 2dkp s THR 96 Cb -0.05 -4.00 0.05 0.00 0.01 0.00 0.00 72.50 68.51 2dkp s THR 96 CO 0.46 -0.01 0.93 -0.31 -0.69 0.00 0.00 174.62 175.00 2dkp s TYR 97 N 2.62 2.95 -0.09 4.92 1.51 0.21 -4.86 117.35 124.62 2dkp s TYR 97 Ca 0.29 0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 56.64 2dkp s TYR 97 Cb -0.15 -3.00 0.04 0.00 -0.11 0.00 0.00 41.96 38.74 2dkp s TYR 97 CO 0.08 -1.17 0.20 0.71 -1.11 0.00 0.00 175.55 174.26 2dkp s TYR 98 N -3.07 -0.25 0.02 2.71 1.51 -1.26 -0.69 117.35 116.32 2dkp s TYR 98 Ca 0.58 0.65 0.05 0.00 -1.01 0.00 0.00 57.07 57.34 2dkp s TYR 98 Cb -0.11 -0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.71 2dkp s TYR 98 CO 0.43 -0.21 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.46 2dkp s PHE 99 N 1.26 1.26 0.05 2.71 0.40 -0.99 -1.84 117.98 120.83 2dkp s PHE 99 Ca -0.09 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2dkp s PHE 99 Cb -0.11 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 2dkp s PHE 99 CO -0.07 0.02 -0.04 0.00 0.70 0.00 0.00 175.22 175.82 2dkp s THR 101 N -2.88 0.90 0.04 0.00 -4.23 -1.12 -3.60 115.64 104.75 2dkp s THR 101 Ca -0.01 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.31 2dkp s THR 101 Cb 0.00 -2.24 -0.15 0.00 1.34 0.00 0.00 72.50 71.46 2dkp s THR 101 CO -0.05 0.00 1.31 0.44 -0.54 0.00 0.00 174.62 175.78 2dkp h ASP 102 N 1.54 0.47 -3.48 3.99 3.32 -1.91 -3.46 116.42 116.89 2dkp h ASP 102 Ca -0.40 -0.53 -0.25 0.00 0.02 0.00 0.00 57.03 55.87 2dkp h ASP 102 Cb 1.30 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 2dkp h ASP 102 CO 0.66 0.91 -0.24 1.07 -1.72 0.00 0.00 179.24 179.92 2dkp n THR 103 N -4.44 0.00 0.01 0.35 5.66 -1.26 -5.01 114.28 109.59 2dkp n THR 103 Ca -0.06 -1.26 -0.12 0.00 -3.05 0.00 0.00 64.05 59.56 2dkp n THR 103 Cb 0.44 0.63 -0.07 0.00 -1.55 0.00 0.00 70.33 69.78 2dkp n THR 103 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2dkp h GLY 104 N 1.06 0.07 0.14 1.09 0.00 -1.92 -2.96 103.07 100.56 2dkp h GLY 104 Ca -0.12 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.22 2dkp h GLY 104 CO 0.18 0.03 -0.37 1.70 0.00 0.00 0.00 176.54 178.08 2dkp h LYS 105 N 0.00 -0.46 -0.16 4.80 1.63 -1.98 0.36 116.57 120.76 2dkp h LYS 105 Ca 0.02 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.90 2dkp h LYS 105 Cb 0.07 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 2dkp h LYS 105 CO -0.00 -0.31 0.46 0.93 -3.45 0.00 0.00 179.45 177.08 2dkp h GLU 106 N -0.48 0.00 0.06 1.90 4.39 -1.96 0.11 114.58 118.61 2dkp h GLU 106 Ca 0.07 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.48 2dkp h GLU 106 Cb 0.60 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2dkp h GLU 106 CO -0.34 0.00 -1.61 1.98 -1.16 0.00 0.00 179.01 177.87 2dkp h MET 107 N 0.00 0.13 -0.58 2.33 4.05 -0.39 -3.31 114.93 117.16 2dkp h MET 107 Ca 0.08 -0.23 0.05 0.00 -0.28 0.00 0.00 59.70 59.32 2dkp h MET 107 Cb 0.99 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.84 2dkp h MET 107 CO -0.00 1.11 0.38 1.05 0.23 0.00 0.00 176.91 179.68 2dkp h GLU 108 N -0.48 0.59 -0.16 0.39 4.11 0.14 0.16 114.58 119.33 2dkp h GLU 108 Ca -0.38 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 58.91 2dkp h GLU 108 Cb 1.66 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2dkp h GLU 108 CO -0.06 0.39 -0.35 -0.07 0.07 0.00 0.00 179.01 178.99 2dkp h LEU 109 N 0.61 0.34 0.00 3.06 3.38 -1.33 -2.07 115.31 119.30 2dkp h LEU 109 Ca 0.24 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2dkp h LEU 109 Cb 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2dkp h LEU 109 CO -0.07 0.67 -0.01 -0.50 0.09 0.00 0.00 178.44 178.62 2dkp h TRP 110 N 0.28 0.00 0.15 1.13 -0.00 -1.28 -3.33 115.95 112.91 2dkp h TRP 110 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 2dkp h TRP 110 Cb 0.76 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.89 2dkp h TRP 110 CO 0.02 0.62 -0.31 0.52 -0.00 0.00 0.00 178.44 179.29 2dkp h MET 111 N -1.00 -0.49 -0.72 0.49 2.86 -0.80 0.27 114.93 115.55 2dkp h MET 111 Ca -0.00 0.03 0.29 0.00 -2.06 0.00 0.00 59.70 57.96 2dkp h MET 111 Cb 0.62 0.11 -0.13 0.00 0.06 0.00 0.00 31.60 32.26 2dkp h MET 111 CO -0.00 -0.32 0.35 1.63 1.06 0.00 0.00 176.91 179.62 2dkp n LYS 112 N -4.23 -0.04 -0.03 1.72 4.76 -0.78 -0.02 118.16 119.53 2dkp n LYS 112 Ca -0.06 1.00 -0.00 0.00 -2.87 0.00 0.00 58.31 56.38 2dkp n LYS 112 Cb 0.26 -1.78 -0.00 0.00 -1.84 0.00 0.00 35.03 31.67 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 0.00 -0.71 7.82 0.00 -1.43 -3.27 119.26 123.11 2dkp h ALA 113 Ca 0.59 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.58 2dkp h ALA 113 Cb 1.54 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 2dkp h ALA 113 CO -0.57 0.01 -0.50 0.52 0.00 0.00 0.00 179.25 178.71 2dkp h MET 114 N -0.69 -0.17 -1.18 0.00 2.86 0.15 0.72 114.93 116.63 2dkp h MET 114 Ca 0.00 0.01 0.34 0.00 -2.06 0.00 0.00 59.70 57.99 2dkp h MET 114 Cb 0.01 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.62 2dkp h MET 114 CO 0.00 -0.11 0.79 -0.07 1.06 0.00 0.00 176.91 178.58 2dkp h LEU 115 N -0.17 0.27 -0.21 1.22 -0.00 -0.63 1.02 115.31 116.81 2dkp h LEU 115 Ca 0.17 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 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 2dkp h LEU 115 CO -0.78 -0.00 -0.93 -0.78 -0.00 0.00 0.00 178.44 175.95 2dkp h ASP 116 N 0.20 0.29 0.63 -0.43 1.82 0.32 -0.88 116.42 118.37 2dkp h ASP 116 Ca 0.65 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 57.05 2dkp h ASP 116 Cb 2.05 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.97 2dkp h ASP 116 CO -0.24 1.07 -0.33 0.00 -1.61 0.00 0.00 179.24 178.13 2dkp n ALA 117 N -2.47 3.15 -0.12 -0.78 0.00 0.28 -3.33 120.51 117.24 2dkp n ALA 117 Ca -0.04 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 2dkp n ALA 117 Cb 0.84 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.44 1.31 0.25 0.00 0.00 0.25 -0.21 120.51 120.67 2dkp n ALA 118 Ca 0.07 -1.06 0.12 0.00 0.00 0.00 0.00 53.44 52.56 2dkp n ALA 118 Cb 0.33 -0.07 0.65 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.34 0.00 -7.16 0.00 8.10 -1.30 -3.41 115.31 111.20 2dkp h LEU 119 Ca -0.61 0.00 -0.56 0.00 0.11 0.00 0.00 57.88 56.82 2dkp h LEU 119 Cb 1.80 0.00 0.07 0.00 -0.44 0.00 0.00 40.66 42.09 2dkp h LEU 119 CO -0.19 0.15 -0.28 0.55 -4.11 0.00 0.00 178.44 174.56 2dkp n VAL 120 N -3.55 1.12 -1.81 0.15 3.14 -1.21 -4.83 118.33 111.33 2dkp n VAL 120 Ca -0.01 -0.28 -0.36 0.00 -2.96 0.00 0.00 64.34 60.72 2dkp n VAL 120 Cb 0.30 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.12 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 0.91 2.85 -3.39 1.45 1.13 -1.26 -4.97 117.38 114.10 2dkp n GLN 121 Ca 0.15 -3.59 -0.37 0.00 -1.94 0.00 0.00 57.00 51.24 2dkp n GLN 121 Cb 0.16 -2.27 -0.06 0.00 0.11 0.00 0.00 30.24 28.18 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 -5.03 4.89 -0.38 5.09 -1.32 -1.26 -4.98 115.64 112.65 2dkp s THR 122 Ca 0.55 0.95 -0.42 0.00 -1.21 0.00 0.00 61.69 61.56 2dkp s THR 122 Cb 0.45 -3.78 -0.17 0.00 -1.51 0.00 0.00 72.50 67.49 2dkp s THR 122 CO -0.26 0.48 1.76 -0.24 -2.21 0.00 0.00 174.62 174.15 2dkp n SER 123 N 1.50 1.85 0.00 8.08 2.88 -1.26 -4.73 113.62 121.94 2dkp n SER 123 Ca -0.10 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2dkp n SER 123 Cb 0.52 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2dkp n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkp n GLY 124 N 4.56 0.47 3.60 0.46 0.00 -1.26 -5.11 105.19 107.91 2dkp n GLY 124 Ca 0.31 0.15 -0.54 0.00 0.00 0.00 0.00 46.02 45.94 2dkp n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dkp n PRO 125 N 0.00 0.97 -3.03 1.61 -0.02 -1.26 -4.87 135.00 128.39 2dkp n PRO 125 Ca 0.00 0.35 -0.44 0.00 -2.02 0.00 0.00 63.50 61.39 2dkp n PRO 125 Cb 0.00 -1.98 -0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2dkp n PRO 125 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2dkp s SER 126 N 0.98 7.08 -0.08 2.55 0.15 -1.26 -5.00 113.70 118.12 2dkp s SER 126 Ca 0.88 -3.03 -0.30 0.00 0.70 0.00 0.00 55.95 54.21 2dkp s SER 126 Cb -1.03 -2.36 -0.05 0.00 -1.71 0.00 0.00 66.02 60.87 2dkp s SER 126 CO 0.52 -0.68 1.64 -0.44 1.20 0.00 0.00 173.24 175.48 2dkp s SER 127 N 2.60 6.63 0.00 5.45 0.01 -1.26 -5.23 113.70 121.90 2dkp s SER 127 Ca 0.39 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.78 2dkp s SER 127 Cb -0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2dkp s SER 127 CO -0.02 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.26