#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 4.61 -0.75 1.61 0.01 -1.26 -5.08 113.70 112.84 2dkp s SER 2 Ca 0.00 -1.18 -0.16 0.00 1.31 0.00 0.00 55.95 55.92 2dkp s SER 2 Cb 0.00 0.13 0.17 0.00 0.21 0.00 0.00 66.02 66.54 2dkp s SER 2 CO 0.00 -0.93 0.75 -0.44 0.41 0.00 0.00 173.24 173.04 2dkp s SER 3 N -4.16 6.56 0.00 2.44 0.01 -1.26 -4.87 113.70 112.41 2dkp s SER 3 Ca 0.35 -2.26 0.00 0.00 1.31 0.00 0.00 55.95 55.35 2dkp s SER 3 Cb -0.01 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2dkp s SER 3 CO 0.21 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2dkp n GLY 4 N 4.60 -1.32 3.40 3.44 0.00 -1.26 -5.16 105.19 108.90 2dkp n GLY 4 Ca 0.06 0.95 0.02 0.00 0.00 0.00 0.00 46.02 47.05 2dkp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkp s SER 5 N 0.00 -0.81 0.47 1.61 1.04 -1.26 -5.00 113.70 109.75 2dkp s SER 5 Ca 0.00 0.95 0.25 0.00 0.48 0.00 0.00 55.95 57.62 2dkp s SER 5 Cb 0.00 1.85 1.35 0.00 0.10 0.00 0.00 66.02 69.32 2dkp s SER 5 CO 0.00 -0.15 1.73 0.77 0.98 0.00 0.00 173.24 176.56 2dkp h SER 6 N 7.75 0.00 0.00 7.02 4.64 -2.03 -3.45 113.55 127.48 2dkp h SER 6 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2dkp h SER 6 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2dkp h SER 6 CO 0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 2dkp n GLY 7 N -1.24 1.86 3.92 -0.77 0.00 -1.26 -4.91 105.19 102.79 2dkp n GLY 7 Ca -0.02 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 3.51 0.13 1.61 1.02 -1.26 -5.11 119.74 119.64 2dkp s LYS 8 Ca 0.00 -0.35 0.07 0.00 0.02 0.00 0.00 55.97 55.71 2dkp s LYS 8 Cb 0.00 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2dkp s LYS 8 CO 0.00 0.45 -0.08 1.03 -0.92 0.00 0.00 175.35 175.83 2dkp s ARG 9 N -3.12 2.18 0.37 1.68 0.52 -1.26 -5.14 118.95 114.17 2dkp s ARG 9 Ca 0.38 -1.08 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 2dkp s ARG 9 Cb -0.11 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.99 2dkp s ARG 9 CO 0.28 0.49 -0.01 0.45 0.02 0.00 0.00 175.30 176.52 2dkp s SER 10 N -2.46 3.52 0.22 0.23 0.15 -1.26 -5.01 113.70 109.09 2dkp s SER 10 Ca 0.23 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2dkp s SER 10 Cb -0.10 -0.32 0.51 0.00 -1.71 0.00 0.00 66.02 64.40 2dkp s SER 10 CO 0.15 -0.41 1.13 -3.20 1.20 0.00 0.00 173.24 172.11 2dkp n ASN 11 N -0.85 -0.12 -4.47 5.45 2.85 -1.26 -4.39 115.26 112.47 2dkp n ASN 11 Ca -0.05 1.23 -0.23 0.00 -0.11 0.00 0.00 54.58 55.42 2dkp n ASN 11 Cb 0.66 -0.43 -0.10 0.00 1.24 0.00 0.00 39.78 41.14 2dkp n ASN 11 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2dkp s SER 12 N -5.04 3.35 -0.07 1.20 1.04 -1.26 -5.15 113.70 107.78 2dkp s SER 12 Ca -0.10 -1.10 0.05 0.00 0.48 0.00 0.00 55.95 55.28 2dkp s SER 12 Cb 0.21 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2dkp s SER 12 CO 0.56 -0.12 -0.23 -0.63 0.98 0.00 0.00 173.24 173.80 2dkp s ILE 13 N -2.69 1.95 -0.20 -1.02 1.01 -1.26 -5.08 121.20 113.91 2dkp s ILE 13 Ca 0.30 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 2dkp s ILE 13 Cb -0.01 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 2dkp s ILE 13 CO 0.14 0.54 0.10 -0.75 0.00 0.00 0.00 174.94 174.97 2dkp s LYS 14 N 0.06 4.06 1.24 2.79 2.47 -1.26 -4.99 119.74 124.11 2dkp s LYS 14 Ca -0.09 -0.29 -0.21 0.00 -1.56 0.00 0.00 55.97 53.82 2dkp s LYS 14 Cb -0.15 -3.34 0.31 0.00 -1.46 0.00 0.00 37.83 33.20 2dkp s LYS 14 CO 0.05 0.24 0.98 0.54 0.16 0.00 0.00 175.35 177.32 2dkp n ARG 15 N 3.66 -3.55 -3.65 4.03 1.74 -1.26 -5.04 116.66 112.59 2dkp n ARG 15 Ca -0.16 -1.58 -0.29 0.00 -0.77 0.00 0.00 57.85 55.04 2dkp n ARG 15 Cb 0.52 -1.63 -0.14 0.00 -1.02 0.00 0.00 32.46 30.20 2dkp n ARG 15 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2dkp s ASN 16 N -3.94 3.61 0.23 0.55 2.47 -1.26 -5.02 114.94 111.59 2dkp s ASN 16 Ca 0.66 -2.06 -0.14 0.00 0.42 0.00 0.00 52.86 51.74 2dkp s ASN 16 Cb -0.08 -0.77 0.28 0.00 -1.45 0.00 0.00 41.25 39.24 2dkp s ASN 16 CO 0.52 -0.34 1.58 -0.65 -3.72 0.00 0.00 177.10 174.49 2dkp h PRO 17 N 7.42 -0.04 -0.46 0.43 0.11 -2.03 0.57 132.00 138.01 2dkp h PRO 17 Ca -0.06 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.15 2dkp h PRO 17 Cb 0.97 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.02 2dkp h PRO 17 CO 0.42 -0.02 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.26 2dkp h ASN 18 N -0.04 -0.24 -0.53 -2.05 4.21 -2.05 -3.40 115.58 111.48 2dkp h ASN 18 Ca 0.35 0.11 -0.59 0.00 1.21 0.00 0.00 56.30 57.39 2dkp h ASN 18 Cb 0.60 0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.96 2dkp h ASN 18 CO -0.85 -0.08 1.57 0.00 -1.29 0.00 0.00 177.43 176.77 2dkp n ALA 19 N -2.66 0.55 -1.60 -0.83 0.00 0.19 -4.78 120.51 111.38 2dkp n ALA 19 Ca 0.04 -0.24 -0.54 0.00 0.00 0.00 0.00 53.44 52.70 2dkp n ALA 19 Cb 0.25 -2.46 -0.06 0.00 0.00 0.00 0.00 19.45 17.18 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 1.00 -2.67 0.00 -0.02 -1.26 -4.72 135.00 135.64 2dkp n PRO 20 Ca 0.53 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 2dkp n PRO 20 Cb 0.15 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.88 4.73 0.05 -1.45 1.01 -1.26 -4.60 120.40 119.76 2dkp s VAL 21 Ca 0.87 2.01 -0.25 0.00 0.00 0.00 0.00 61.98 64.61 2dkp s VAL 21 Cb -1.01 -4.30 -0.17 0.00 0.00 0.00 0.00 36.38 30.90 2dkp s VAL 21 CO 0.51 -0.04 1.53 0.58 0.00 0.00 0.00 175.10 177.68 2dkp h VAL 22 N 5.17 0.96 -1.32 2.92 2.07 -1.60 -3.47 116.25 120.99 2dkp h VAL 22 Ca -0.29 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 67.00 2dkp h VAL 22 Cb 1.13 1.19 -0.30 0.00 -1.52 0.00 0.00 31.29 31.79 2dkp h VAL 22 CO 0.88 0.09 0.68 -0.60 0.02 0.00 0.00 177.57 178.65 2dkp s ARG 23 N -5.47 0.27 -0.11 1.57 3.52 -1.24 -5.05 118.95 112.45 2dkp s ARG 23 Ca -0.14 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 2dkp s ARG 23 Cb 0.04 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.58 2dkp s ARG 23 CO 0.64 -0.03 -0.13 -0.98 -0.81 0.00 0.00 175.30 173.99 2dkp s ARG 24 N 0.11 2.00 0.11 5.12 1.70 -1.26 -1.60 118.95 125.12 2dkp s ARG 24 Ca 0.05 -0.47 -0.17 0.00 -0.47 0.00 0.00 55.73 54.67 2dkp s ARG 24 Cb -0.05 -1.77 0.04 0.00 -0.57 0.00 0.00 34.95 32.59 2dkp s ARG 24 CO -0.11 -0.11 0.41 0.20 -1.08 0.00 0.00 175.30 174.61 2dkp s GLY 25 N 1.14 -0.28 -0.71 3.88 0.00 -0.66 -5.02 107.32 105.67 2dkp s GLY 25 Ca -0.04 0.05 -0.26 0.00 0.00 0.00 0.00 44.72 44.47 2dkp s GLY 25 CO -0.03 -0.21 1.83 -0.98 0.00 0.00 0.00 173.10 173.70 2dkp s TRP 26 N -3.49 1.77 -0.04 1.90 0.52 -1.26 -2.34 118.94 116.00 2dkp s TRP 26 Ca 0.01 0.64 -0.10 0.00 0.02 0.00 0.00 56.10 56.67 2dkp s TRP 26 Cb 0.01 -4.13 -0.05 0.00 -1.15 0.00 0.00 33.47 28.15 2dkp s TRP 26 CO -0.10 -2.13 0.28 -1.17 0.02 0.00 0.00 176.95 173.85 2dkp s LEU 27 N 8.99 4.42 0.11 2.99 2.96 -0.67 -4.85 118.68 132.63 2dkp s LEU 27 Ca 0.65 0.68 -0.19 0.00 -0.22 0.00 0.00 54.13 55.05 2dkp s LEU 27 Cb -0.10 -2.42 -0.07 0.00 0.50 0.00 0.00 46.19 44.10 2dkp s LEU 27 CO 0.14 0.34 0.61 -0.31 -1.32 0.00 0.00 176.35 175.81 2dkp s TYR 28 N -1.12 3.78 -0.01 5.38 2.02 -1.26 -2.94 117.35 123.21 2dkp s TYR 28 Ca 0.21 1.31 0.02 0.00 -0.37 0.00 0.00 57.07 58.25 2dkp s TYR 28 Cb -0.14 -2.53 -0.00 0.00 -0.40 0.00 0.00 41.96 38.88 2dkp s TYR 28 CO 0.10 0.53 -0.08 0.21 -1.57 0.00 0.00 175.55 174.75 2dkp s LYS 29 N -1.33 0.67 0.73 -0.62 2.20 -0.51 -3.82 119.74 117.07 2dkp s LYS 29 Ca 0.33 -0.28 -0.14 0.00 -0.36 0.00 0.00 55.97 55.52 2dkp s LYS 29 Cb -0.19 -0.64 0.04 0.00 -1.51 0.00 0.00 37.83 35.53 2dkp s LYS 29 CO 0.20 0.16 1.16 -1.14 -0.36 0.00 0.00 175.35 175.38 2dkp s GLN 30 N -0.13 2.20 -0.24 4.03 0.74 -1.05 -0.67 119.66 124.53 2dkp s GLN 30 Ca 0.02 1.59 -0.04 0.00 0.05 0.00 0.00 55.36 56.99 2dkp s GLN 30 Cb -0.04 -1.86 0.01 0.00 1.10 0.00 0.00 33.01 32.22 2dkp s GLN 30 CO -0.00 -1.75 -0.03 0.34 -0.55 0.00 0.00 175.29 173.30 2dkp s ASP 31 N -2.36 4.45 0.06 6.67 2.15 -0.64 -4.84 116.67 122.17 2dkp s ASP 31 Ca 0.70 -0.62 -0.29 0.00 0.43 0.00 0.00 52.55 52.78 2dkp s ASP 31 Cb -0.25 -1.74 -0.17 0.00 -0.30 0.00 0.00 42.92 40.46 2dkp s ASP 31 CO 0.46 -0.09 1.58 -1.28 -0.17 0.00 0.00 175.17 175.68 2dkp h SER 32 N 8.10 -0.48 -1.87 -0.34 0.87 -1.95 -3.10 113.55 114.77 2dkp h SER 32 Ca -0.37 -0.02 -0.69 0.00 -1.23 0.00 0.00 61.79 59.49 2dkp h SER 32 Cb 1.14 0.13 -0.15 0.00 -0.44 0.00 0.00 62.40 63.07 2dkp h SER 32 CO 0.59 -0.29 1.31 0.28 -0.53 0.00 0.00 176.83 178.19 2dkp s THR 33 N -5.82 4.58 0.00 2.23 -1.32 -1.26 -4.70 115.64 109.35 2dkp s THR 33 Ca -0.16 -1.80 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 2dkp s THR 33 Cb 0.04 -4.93 0.00 0.00 -1.51 0.00 0.00 72.50 66.10 2dkp s THR 33 CO 0.62 -1.70 0.00 0.61 -2.21 0.00 0.00 174.62 171.94 2dkp n GLY 34 N 5.32 -0.46 2.18 6.08 0.00 -1.26 -4.98 105.19 112.07 2dkp n GLY 34 Ca 0.33 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.35 2dkp n GLY 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dkp n MET 35 N 0.00 3.25 -3.95 1.61 2.81 -1.26 -4.95 117.12 114.63 2dkp n MET 35 Ca 0.00 -4.04 -0.31 0.00 -1.81 0.00 0.00 57.70 51.53 2dkp n MET 35 Cb 0.00 -2.15 -0.04 0.00 -0.71 0.00 0.00 33.22 30.32 2dkp n MET 35 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2dkp n LYS 36 N -0.69 -2.00 -2.59 0.03 4.76 -1.17 -4.90 118.16 111.60 2dkp n LYS 36 Ca 0.37 0.22 -0.26 0.00 -2.87 0.00 0.00 58.31 55.76 2dkp n LYS 36 Cb 0.94 -4.83 0.02 0.00 -1.84 0.00 0.00 35.03 29.31 2dkp n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dkp s LEU 37 N -6.75 3.43 -0.36 -0.35 1.43 -1.26 -4.64 118.68 110.18 2dkp s LEU 37 Ca 0.61 0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 54.20 2dkp s LEU 37 Cb -0.35 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2dkp s LEU 37 CO 0.75 -0.85 0.62 0.26 0.23 0.00 0.00 176.35 177.36 2dkp s TRP 38 N -2.83 3.15 0.06 0.29 0.52 -1.26 -1.62 118.94 117.25 2dkp s TRP 38 Ca 0.51 0.31 -0.04 0.00 0.02 0.00 0.00 56.10 56.90 2dkp s TRP 38 Cb -0.10 -3.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.05 2dkp s TRP 38 CO 0.44 -0.62 0.27 0.15 0.02 0.00 0.00 176.95 177.20 2dkp s LYS 39 N 2.67 3.53 0.12 4.98 3.01 0.15 -4.82 119.74 129.38 2dkp s LYS 39 Ca 0.24 -0.21 -0.28 0.00 -1.01 0.00 0.00 55.97 54.71 2dkp s LYS 39 Cb -0.15 -3.01 -0.07 0.00 -1.01 0.00 0.00 37.83 33.60 2dkp s LYS 39 CO 0.15 0.59 0.86 0.21 0.51 0.00 0.00 175.35 177.68 2dkp s LYS 40 N -2.23 4.64 -0.10 1.68 2.47 -1.26 -1.42 119.74 123.52 2dkp s LYS 40 Ca 0.33 1.29 -0.26 0.00 -1.56 0.00 0.00 55.97 55.76 2dkp s LYS 40 Cb -0.13 -3.34 0.06 0.00 -1.46 0.00 0.00 37.83 32.96 2dkp s LYS 40 CO 0.22 0.34 0.62 0.50 0.16 0.00 0.00 175.35 177.19 2dkp s ARG 41 N -0.38 0.92 -0.55 4.03 6.06 -1.15 -4.97 118.95 122.90 2dkp s ARG 41 Ca 0.41 0.37 -0.27 0.00 -2.50 0.00 0.00 55.73 53.74 2dkp s ARG 41 Cb -0.23 0.44 0.03 0.00 0.06 0.00 0.00 34.95 35.25 2dkp s ARG 41 CO 0.27 -0.25 1.13 -0.46 -2.50 0.00 0.00 175.30 173.50 2dkp s TRP 42 N -0.80 2.69 -0.10 5.12 -0.00 -1.26 -1.66 118.94 122.92 2dkp s TRP 42 Ca -0.08 0.38 -0.04 0.00 -0.00 0.00 0.00 56.10 56.36 2dkp s TRP 42 Cb -0.02 -4.40 -0.04 0.00 -0.00 0.00 0.00 33.47 29.02 2dkp s TRP 42 CO 0.07 -1.47 0.04 -0.06 -0.00 0.00 0.00 176.95 175.53 2dkp s PHE 43 N 4.64 3.28 -0.05 5.86 0.08 -0.99 -3.08 117.98 127.73 2dkp s PHE 43 Ca 0.41 0.26 0.02 0.00 0.12 0.00 0.00 56.93 57.75 2dkp s PHE 43 Cb -0.08 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2dkp s PHE 43 CO 0.25 0.51 -0.10 0.08 -0.10 0.00 0.00 175.22 175.86 2dkp s VAL 44 N -0.79 0.96 -0.54 -0.44 1.01 -0.28 -1.66 120.40 118.66 2dkp s VAL 44 Ca 0.12 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2dkp s VAL 44 Cb -0.12 -0.89 0.11 0.00 0.00 0.00 0.00 36.38 35.48 2dkp s VAL 44 CO 0.03 0.31 0.54 -0.22 0.00 0.00 0.00 175.10 175.75 2dkp s LEU 45 N 0.57 5.79 0.03 3.92 1.98 -0.63 -2.67 118.68 127.67 2dkp s LEU 45 Ca -0.11 -1.54 -0.01 0.00 -2.89 0.00 0.00 54.13 49.57 2dkp s LEU 45 Cb -0.14 -2.25 -0.02 0.00 0.66 0.00 0.00 46.19 44.44 2dkp s LEU 45 CO 0.02 -0.88 -0.00 -0.94 -1.89 0.00 0.00 176.35 172.66 2dkp s SER 46 N 3.34 0.27 -1.38 3.68 1.04 -1.17 -1.45 113.70 118.03 2dkp s SER 46 Ca 0.06 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.79 2dkp s SER 46 Cb -0.27 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.01 2dkp s SER 46 CO 0.05 -0.40 0.37 -0.67 0.98 0.00 0.00 173.24 173.58 2dkp n ASP 47 N 1.16 -1.33 -3.99 7.02 2.03 -1.26 -0.60 116.55 119.58 2dkp n ASP 47 Ca -0.21 -1.18 -0.26 0.00 0.52 0.00 0.00 54.79 53.66 2dkp n ASP 47 Cb 0.57 -2.23 -0.08 0.00 -0.72 0.00 0.00 41.12 38.66 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 -4.60 -0.78 -4.00 -2.67 7.99 -1.26 -4.87 117.00 106.80 2dkp n LEU 48 Ca -0.25 -1.05 -0.12 0.00 -0.01 0.00 0.00 56.01 54.59 2dkp n LEU 48 Cb 0.65 -1.31 -0.03 0.00 -0.11 0.00 0.00 43.42 42.63 2dkp n LEU 48 CO 0.78 0.37 0.24 0.00 -1.51 0.00 0.00 177.39 177.27 2dkp s LEU 50 N -3.14 2.36 -0.03 0.00 1.43 -0.24 -3.03 118.68 116.03 2dkp s LEU 50 Ca 0.25 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2dkp s LEU 50 Cb -0.02 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.77 2dkp s LEU 50 CO 0.15 0.28 0.08 -0.36 0.23 0.00 0.00 176.35 176.73 2dkp s PHE 51 N -0.35 -0.07 0.03 0.29 0.08 -1.09 -1.15 117.98 115.73 2dkp s PHE 51 Ca 0.02 0.24 0.03 0.00 0.12 0.00 0.00 56.93 57.34 2dkp s PHE 51 Cb -0.12 -0.05 -0.02 0.00 -0.57 0.00 0.00 43.02 42.26 2dkp s PHE 51 CO 0.02 -0.07 -0.10 1.52 -0.10 0.00 0.00 175.22 176.49 2dkp s TYR 52 N 0.48 0.86 0.27 0.36 -0.85 -1.24 -1.12 117.35 116.10 2dkp s TYR 52 Ca -0.04 -0.36 0.03 0.00 -0.52 0.00 0.00 57.07 56.18 2dkp s TYR 52 Cb -0.05 -0.52 -0.06 0.00 0.38 0.00 0.00 41.96 41.72 2dkp s TYR 52 CO -0.02 -0.02 0.04 0.71 -1.52 0.00 0.00 175.55 174.75 2dkp s TYR 53 N -0.92 1.68 0.23 -3.49 1.51 -1.18 -3.21 117.35 111.97 2dkp s TYR 53 Ca -0.03 -1.00 -0.08 0.00 -1.01 0.00 0.00 57.07 54.96 2dkp s TYR 53 Cb -0.08 -1.02 0.39 0.00 -0.11 0.00 0.00 41.96 41.14 2dkp s TYR 53 CO 0.01 -0.10 1.67 0.00 -1.11 0.00 0.00 175.55 176.02 2dkp h ARG 54 N 2.34 0.19 0.00 -0.62 3.08 -1.82 -3.37 114.38 114.19 2dkp h ARG 54 Ca -0.39 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.47 2dkp h ARG 54 Cb 1.24 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 2dkp h ARG 54 CO 0.65 0.13 0.03 -0.25 -1.07 0.00 0.00 179.97 179.46 2dkp n ASP 55 N -5.21 -1.76 0.21 7.04 8.00 -1.26 -4.79 116.55 118.77 2dkp n ASP 55 Ca 0.12 -2.78 0.11 0.00 0.71 0.00 0.00 54.79 52.94 2dkp n ASP 55 Cb 0.41 3.10 0.58 0.00 -0.02 0.00 0.00 41.12 45.18 2dkp n ASP 55 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2dkp h GLU 56 N 0.00 0.00 0.00 -1.24 4.11 -1.96 -0.83 114.58 114.66 2dkp h GLU 56 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2dkp h GLU 56 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2dkp h GLU 56 CO 0.39 0.00 0.03 1.63 0.07 0.00 0.00 179.01 181.14 2dkp n LYS 57 N -2.34 0.03 -4.25 1.06 5.02 -1.26 -4.82 118.16 111.61 2dkp n LYS 57 Ca -0.01 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.46 2dkp n LYS 57 Cb 0.23 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.66 -1.09 -3.88 1.97 1.02 -0.32 -4.91 120.64 111.78 2dkp n GLU 58 Ca -0.00 0.12 -0.36 0.00 -0.02 0.00 0.00 57.16 56.90 2dkp n GLU 58 Cb 0.04 -3.54 -0.14 0.00 -0.02 0.00 0.00 31.44 27.79 2dkp n GLU 58 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2dkp s GLU 59 N -7.30 2.85 0.09 3.49 4.04 -1.26 -4.93 118.70 115.67 2dkp s GLU 59 Ca 0.07 -0.99 0.00 0.00 0.04 0.00 0.00 54.97 54.09 2dkp s GLU 59 Cb -0.04 -3.16 0.00 0.00 0.02 0.00 0.00 34.13 30.95 2dkp s GLU 59 CO 0.98 -0.46 0.00 0.41 -1.84 0.00 0.00 175.26 174.36 2dkp n GLY 60 N 4.73 -5.38 3.71 -3.83 0.00 -1.26 -4.62 105.19 98.54 2dkp n GLY 60 Ca -0.15 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.28 -0.09 -0.61 1.01 -1.26 -4.50 121.20 119.48 2dkp s ILE 61 Ca 0.00 1.64 0.17 0.00 0.00 0.00 0.00 60.65 62.46 2dkp s ILE 61 Cb 0.00 -4.05 0.10 0.00 0.01 0.00 0.00 42.46 38.52 2dkp s ILE 61 CO 0.00 0.13 1.54 -0.07 0.00 0.00 0.00 174.94 176.54 2dkp h LEU 62 N 6.78 0.00 0.00 2.97 3.38 -1.89 -3.47 115.31 123.08 2dkp h LEU 62 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2dkp h LEU 62 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2dkp h LEU 62 CO 0.79 0.43 0.00 0.61 0.09 0.00 0.00 178.44 180.36 2dkp n GLY 63 N 0.96 1.54 3.71 0.83 0.00 -1.26 -5.12 105.19 105.85 2dkp n GLY 63 Ca 0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2dkp n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkp s SER 64 N 0.00 5.24 -0.14 1.61 1.04 -1.26 -3.73 113.70 116.47 2dkp s SER 64 Ca 0.00 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.44 2dkp s SER 64 Cb 0.00 -1.38 0.01 0.00 0.10 0.00 0.00 66.02 64.75 2dkp s SER 64 CO 0.00 0.25 -0.21 -0.63 0.98 0.00 0.00 173.24 173.63 2dkp s ILE 65 N -1.18 1.97 -0.47 -1.02 1.01 -0.30 -5.03 121.20 116.18 2dkp s ILE 65 Ca 0.22 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 2dkp s ILE 65 Cb -0.12 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.64 2dkp s ILE 65 CO 0.14 0.53 0.90 -0.76 0.00 0.00 0.00 174.94 175.75 2dkp s LEU 66 N 0.85 4.06 0.11 2.97 2.01 -1.26 -1.08 118.68 126.34 2dkp s LEU 66 Ca -0.07 0.01 -0.16 0.00 0.01 0.00 0.00 54.13 53.92 2dkp s LEU 66 Cb -0.15 -3.10 -0.05 0.00 0.01 0.00 0.00 46.19 42.90 2dkp s LEU 66 CO -0.02 -1.06 1.54 -0.07 1.01 0.00 0.00 176.35 177.75 2dkp h LEU 67 N 10.56 0.61 -1.60 1.79 3.38 -1.92 -2.88 115.31 125.25 2dkp h LEU 67 Ca -0.24 -0.33 0.18 0.00 0.09 0.00 0.00 57.88 57.57 2dkp h LEU 67 Cb 1.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2dkp h LEU 67 CO 1.03 0.79 0.74 -0.65 0.09 0.00 0.00 178.44 180.43 2dkp h PRO 68 N 0.41 0.00 0.00 1.13 0.11 -1.77 1.00 132.00 132.88 2dkp h PRO 68 Ca 0.09 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 2dkp h PRO 68 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2dkp h PRO 68 CO 0.02 0.00 -1.36 0.43 -0.21 0.00 0.00 178.00 176.88 2dkp n SER 69 N -3.46 0.65 -4.91 -2.05 7.64 -1.10 -4.64 113.62 105.75 2dkp n SER 69 Ca 0.12 0.26 -0.27 0.00 1.01 0.00 0.00 58.87 59.99 2dkp n SER 69 Cb 0.95 0.72 0.03 0.00 -1.01 0.00 0.00 64.21 64.90 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 -3.26 3.27 -0.25 1.43 0.08 0.35 -4.17 117.98 115.43 2dkp s PHE 70 Ca -0.03 0.70 0.00 0.00 0.12 0.00 0.00 56.93 57.73 2dkp s PHE 70 Cb 0.10 -2.77 0.07 0.00 -0.57 0.00 0.00 43.02 39.85 2dkp s PHE 70 CO 0.82 -0.86 -0.01 -1.14 -0.10 0.00 0.00 175.22 173.93 2dkp s GLN 71 N -5.03 1.37 -0.41 0.44 0.74 0.11 -4.81 119.66 112.07 2dkp s GLN 71 Ca 0.54 -1.03 -0.29 0.00 0.05 0.00 0.00 55.36 54.63 2dkp s GLN 71 Cb -0.11 -2.52 0.02 0.00 1.10 0.00 0.00 33.01 31.51 2dkp s GLN 71 CO 0.46 -0.69 1.10 0.42 -0.55 0.00 0.00 175.29 176.03 2dkp s ILE 72 N 1.42 4.34 -0.12 -2.34 -1.09 -1.26 -1.87 121.20 120.29 2dkp s ILE 72 Ca -0.01 1.42 -0.10 0.00 -2.23 0.00 0.00 60.65 59.73 2dkp s ILE 72 Cb -0.18 -4.52 0.03 0.00 -1.58 0.00 0.00 42.46 36.21 2dkp s ILE 72 CO -0.09 -0.78 0.30 0.00 -1.23 0.00 0.00 174.94 173.13 2dkp s ALA 73 N 4.09 -0.74 0.66 9.38 0.00 -1.04 -5.04 121.76 129.08 2dkp s ALA 73 Ca 0.46 0.92 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 2dkp s ALA 73 Cb -0.09 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 2dkp s ALA 73 CO 0.25 -0.16 0.51 1.28 0.00 0.00 0.00 175.76 177.64 2dkp n LEU 74 N 3.21 0.72 -4.74 0.00 7.99 -1.26 -3.13 117.00 119.78 2dkp n LEU 74 Ca -0.15 0.65 -0.33 0.00 -0.01 0.00 0.00 56.01 56.17 2dkp n LEU 74 Cb 0.57 -1.19 0.08 0.00 -0.11 0.00 0.00 43.42 42.77 2dkp n LEU 74 CO 0.16 -3.12 0.75 -0.76 -1.51 0.00 0.00 177.39 172.90 2dkp s LEU 75 N 0.33 3.26 0.33 2.23 1.43 -1.26 -4.81 118.68 120.19 2dkp s LEU 75 Ca 0.67 2.12 0.04 0.00 -1.03 0.00 0.00 54.13 55.92 2dkp s LEU 75 Cb -0.39 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.21 2dkp s LEU 75 CO 0.57 -2.06 0.07 0.42 0.23 0.00 0.00 176.35 175.57 2dkp s THR 76 N -2.33 1.09 0.43 5.49 -4.23 -1.26 -5.02 115.64 109.80 2dkp s THR 76 Ca 0.69 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.39 2dkp s THR 76 Cb -0.23 -2.74 0.39 0.00 1.34 0.00 0.00 72.50 71.26 2dkp s THR 76 CO 0.47 0.00 1.84 0.28 -0.54 0.00 0.00 174.62 176.67 2dkp h SER 77 N 2.09 0.38 0.16 3.99 0.02 -2.06 -1.50 113.55 116.62 2dkp h SER 77 Ca -0.40 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.61 2dkp h SER 77 Cb 1.25 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 2dkp h SER 77 CO 0.68 0.14 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.89 2dkp h GLU 78 N 0.37 -0.51 -6.24 3.45 5.08 -2.02 -3.42 114.58 111.29 2dkp h GLU 78 Ca 0.49 0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 58.19 2dkp h GLU 78 Cb 1.28 0.12 0.04 0.00 0.50 0.00 0.00 28.75 30.68 2dkp h GLU 78 CO -0.18 -0.34 0.69 -0.25 -1.00 0.00 0.00 179.01 177.93 2dkp n ASP 79 N -5.40 2.13 -2.38 1.42 8.00 -0.57 -4.84 116.55 114.92 2dkp n ASP 79 Ca -0.07 1.09 -0.26 0.00 0.71 0.00 0.00 54.79 56.26 2dkp n ASP 79 Cb 0.31 -1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.18 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 3.91 1.69 0.01 1.24 8.25 -1.26 -4.18 115.22 124.88 2dkp n HIS 80 Ca 0.22 -2.00 0.00 0.00 -0.26 0.00 0.00 57.72 55.68 2dkp n HIS 80 Cb 0.18 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 30.00 2dkp n HIS 80 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2dkp n ILE 81 N 0.65 0.23 -2.04 1.59 5.41 -1.26 -5.02 119.36 118.93 2dkp n ILE 81 Ca 0.46 0.08 -0.20 0.00 1.00 0.00 0.00 62.75 64.09 2dkp n ILE 81 Cb 0.55 -1.43 -0.04 0.00 -0.71 0.00 0.00 39.64 38.00 2dkp n ILE 81 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2dkp n ASN 82 N -3.07 -5.54 -4.69 4.38 2.85 -1.26 -4.93 115.26 103.00 2dkp n ASN 82 Ca 0.00 0.19 -0.42 0.00 -0.11 0.00 0.00 54.58 54.24 2dkp n ASN 82 Cb 0.37 -4.66 -0.03 0.00 1.24 0.00 0.00 39.78 36.70 2dkp n ASN 82 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2dkp s ARG 83 N -4.44 4.36 0.85 1.20 6.06 -1.26 -5.01 118.95 120.71 2dkp s ARG 83 Ca 0.00 1.72 -0.11 0.00 -2.50 0.00 0.00 55.73 54.84 2dkp s ARG 83 Cb 0.00 -3.53 0.10 0.00 0.06 0.00 0.00 34.95 31.58 2dkp s ARG 83 CO 0.00 -0.43 1.10 0.15 -2.50 0.00 0.00 175.30 173.62 2dkp s LYS 84 N 2.06 1.63 0.00 5.12 -0.14 -1.26 -2.96 119.74 124.19 2dkp s LYS 84 Ca 0.57 1.16 0.00 0.00 -1.36 0.00 0.00 55.97 56.34 2dkp s LYS 84 Cb -0.26 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.06 2dkp s LYS 84 CO 0.24 -2.08 0.00 0.66 -0.76 0.00 0.00 175.35 173.41 2dkp n TYR 85 N -3.82 -1.60 -4.51 3.18 4.02 -1.26 -4.58 117.16 108.58 2dkp n TYR 85 Ca 0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.68 2dkp n TYR 85 Cb 0.53 -0.86 -0.12 0.00 -0.02 0.00 0.00 39.34 38.87 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 -1.60 2.58 0.28 -0.72 0.00 -1.16 -3.25 121.76 117.89 2dkp s ALA 86 Ca 0.00 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.69 2dkp s ALA 86 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2dkp s ALA 86 CO 0.00 0.57 0.06 1.97 0.00 0.00 0.00 175.76 178.37 2dkp n PHE 87 N 1.21 0.31 -3.89 0.00 -1.74 0.98 -4.24 117.46 110.09 2dkp n PHE 87 Ca -0.16 -1.67 -0.11 0.00 -0.56 0.00 0.00 57.45 54.95 2dkp n PHE 87 Cb 0.52 -0.07 -0.11 0.00 1.52 0.00 0.00 39.48 41.35 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 -3.06 0.40 -0.18 3.97 -2.85 -1.18 -1.53 119.74 115.29 2dkp s LYS 88 Ca 0.09 -0.37 0.01 0.00 -1.00 0.00 0.00 55.97 54.70 2dkp s LYS 88 Cb 0.00 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.95 2dkp s LYS 88 CO 0.06 -0.09 -0.19 0.00 0.10 0.00 0.00 175.35 175.24 2dkp s ALA 89 N -1.20 2.37 -0.04 0.59 0.00 0.13 -2.49 121.76 121.12 2dkp s ALA 89 Ca -0.13 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.45 2dkp s ALA 89 Cb -0.07 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 2dkp s ALA 89 CO 0.01 -0.36 0.44 0.00 0.00 0.00 0.00 175.76 175.85 2dkp s ALA 90 N 1.30 3.61 -0.01 0.00 0.00 -0.78 0.10 121.76 125.98 2dkp s ALA 90 Ca 0.05 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2dkp s ALA 90 Cb -0.13 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2dkp s ALA 90 CO -0.12 0.30 -0.20 -1.58 0.00 0.00 0.00 175.76 174.16 2dkp s HIS 91 N -0.47 1.82 -0.04 0.00 2.46 -1.21 0.08 115.29 117.94 2dkp s HIS 91 Ca 0.25 -0.35 -0.25 0.00 0.47 0.00 0.00 55.06 55.18 2dkp s HIS 91 Cb -0.16 -1.16 -0.22 0.00 -0.13 0.00 0.00 32.58 30.91 2dkp s HIS 91 CO 0.13 -0.02 1.10 -1.00 -2.47 0.00 0.00 174.74 172.48 2dkp h PRO 92 N 5.54 0.13 -0.46 2.88 0.13 -1.90 -3.26 132.00 135.05 2dkp h PRO 92 Ca -0.39 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2dkp h PRO 92 Cb 1.14 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dkp h PRO 92 CO 0.47 0.79 0.00 -1.71 -0.23 0.00 0.00 178.00 177.33 2dkp n ASN 93 N -4.62 2.60 -3.17 1.44 5.15 -1.26 -4.93 115.26 110.47 2dkp n ASN 93 Ca -0.09 -1.98 -0.16 0.00 -0.60 0.00 0.00 54.58 51.75 2dkp n ASN 93 Cb 0.41 -0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 39.31 2dkp n ASN 93 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2dkp s MET 94 N -1.38 1.94 0.55 1.20 -1.94 -1.23 -5.18 119.30 113.26 2dkp s MET 94 Ca 0.33 -1.85 -0.08 0.00 -1.71 0.00 0.00 55.69 52.39 2dkp s MET 94 Cb 0.17 0.43 0.12 0.00 2.01 0.00 0.00 34.83 37.56 2dkp s MET 94 CO 0.23 -0.79 0.75 2.89 -0.01 0.00 0.00 175.02 178.09 2dkp n ARG 95 N -0.60 -0.55 -3.32 2.03 1.85 -1.26 -4.13 116.66 110.68 2dkp n ARG 95 Ca 0.02 -1.33 -0.39 0.00 -1.00 0.00 0.00 57.85 55.15 2dkp n ARG 95 Cb 0.61 -0.72 -0.08 0.00 -1.05 0.00 0.00 32.46 31.22 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 -2.51 5.13 0.51 8.89 2.01 -1.26 -3.30 115.64 125.10 2dkp s THR 96 Ca 0.44 0.73 -0.05 0.00 0.31 0.00 0.00 61.69 63.12 2dkp s THR 96 Cb -0.01 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2dkp s THR 96 CO 0.30 0.14 0.80 -0.31 -0.69 0.00 0.00 174.62 174.87 2dkp s TYR 97 N 2.05 3.44 -0.05 4.92 1.51 0.12 -4.88 117.35 124.45 2dkp s TYR 97 Ca 0.18 0.69 0.01 0.00 -1.01 0.00 0.00 57.07 56.94 2dkp s TYR 97 Cb -0.16 -2.41 0.02 0.00 -0.11 0.00 0.00 41.96 39.30 2dkp s TYR 97 CO 0.09 -0.43 -0.04 0.71 -1.11 0.00 0.00 175.55 174.77 2dkp s TYR 98 N -2.78 0.82 -0.00 2.71 2.02 -1.26 -0.69 117.35 118.16 2dkp s TYR 98 Ca 0.49 -0.25 0.05 0.00 -0.37 0.00 0.00 57.07 56.99 2dkp s TYR 98 Cb -0.10 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 2dkp s TYR 98 CO 0.44 -0.23 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.97 2dkp s PHE 99 N 1.10 1.35 0.13 2.71 0.08 -0.58 -2.53 117.98 120.24 2dkp s PHE 99 Ca -0.08 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2dkp s PHE 99 Cb -0.14 -0.86 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 2dkp s PHE 99 CO -0.01 -0.01 -0.03 0.00 -0.10 0.00 0.00 175.22 175.07 2dkp n THR 101 N -0.11 0.00 0.02 0.00 -2.24 -1.20 -4.14 114.28 106.61 2dkp n THR 101 Ca -0.10 -1.91 -0.19 0.00 -2.27 0.00 0.00 64.05 59.59 2dkp n THR 101 Cb 0.62 0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 69.49 2dkp n THR 101 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2dkp h ASP 102 N 1.40 0.47 -3.23 3.42 3.32 -1.92 -3.47 116.42 116.41 2dkp h ASP 102 Ca -0.23 -0.87 -0.21 0.00 0.02 0.00 0.00 57.03 55.74 2dkp h ASP 102 Cb 0.97 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 2dkp h ASP 102 CO 0.36 1.29 -0.17 1.07 -1.72 0.00 0.00 179.24 180.07 2dkp n THR 103 N -4.19 0.00 -0.29 0.35 5.66 -1.26 -5.01 114.28 109.53 2dkp n THR 103 Ca -0.12 -1.14 -0.04 0.00 -3.05 0.00 0.00 64.05 59.70 2dkp n THR 103 Cb 0.74 0.62 0.08 0.00 -1.55 0.00 0.00 70.33 70.21 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 1.07 1.13 0.21 1.09 0.00 -1.94 -2.90 103.07 101.73 2dkp h GLY 104 Ca -0.13 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2dkp h GLY 104 CO 0.19 0.40 -0.28 1.70 0.00 0.00 0.00 176.54 178.55 2dkp h LYS 105 N 1.07 -0.49 -0.46 4.80 1.63 -1.98 0.42 116.57 121.56 2dkp h LYS 105 Ca 0.30 0.03 0.13 0.00 -0.85 0.00 0.00 60.65 60.26 2dkp h LYS 105 Cb -0.10 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2dkp h LYS 105 CO -0.07 -0.33 0.72 0.93 -3.45 0.00 0.00 179.45 177.25 2dkp h GLU 106 N -0.51 0.00 0.17 1.90 5.08 -1.96 0.53 114.58 119.80 2dkp h GLU 106 Ca -0.03 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.00 2dkp h GLU 106 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2dkp h GLU 106 CO -0.07 0.00 -1.70 1.98 -1.00 0.00 0.00 179.01 178.22 2dkp h MET 107 N 0.00 0.36 -0.17 2.33 4.05 -0.93 -3.22 114.93 117.36 2dkp h MET 107 Ca 0.22 -0.62 -0.10 0.00 -0.28 0.00 0.00 59.70 58.92 2dkp h MET 107 Cb 1.66 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 32.68 2dkp h MET 107 CO -0.00 1.30 -0.33 1.05 0.23 0.00 0.00 176.91 179.16 2dkp h GLU 108 N 0.03 0.34 -0.08 0.39 4.11 0.43 0.17 114.58 119.97 2dkp h GLU 108 Ca -0.34 -0.14 -0.11 0.00 0.07 0.00 0.00 59.36 58.83 2dkp h GLU 108 Cb 2.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 2dkp h GLU 108 CO 0.15 0.64 -0.46 -0.07 0.07 0.00 0.00 179.01 179.34 2dkp h LEU 109 N 0.30 0.21 0.12 3.06 3.38 -1.02 -2.19 115.31 119.18 2dkp h LEU 109 Ca 0.04 -0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.64 2dkp h LEU 109 Cb 0.73 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2dkp h LEU 109 CO 0.06 0.65 -1.33 -0.50 0.09 0.00 0.00 178.44 177.40 2dkp h TRP 110 N 0.16 0.48 0.28 1.13 -0.00 -1.50 -3.34 115.95 113.15 2dkp h TRP 110 Ca 0.01 -0.35 -0.01 0.00 -0.00 0.00 0.00 58.89 58.54 2dkp h TRP 110 Cb 0.88 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.03 2dkp h TRP 110 CO 0.01 1.52 -0.15 0.52 -0.00 0.00 0.00 178.44 180.35 2dkp h MET 111 N -0.30 -0.37 -0.72 0.49 2.86 -0.69 0.26 114.93 116.47 2dkp h MET 111 Ca -0.28 0.03 0.21 0.00 -2.06 0.00 0.00 59.70 57.60 2dkp h MET 111 Cb 1.76 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 33.37 2dkp h MET 111 CO 0.08 -0.25 0.07 1.63 1.06 0.00 0.00 176.91 179.50 2dkp n LYS 112 N -3.11 -0.05 0.10 1.72 4.76 -0.82 -0.03 118.16 120.72 2dkp n LYS 112 Ca -0.05 1.06 -0.05 0.00 -2.87 0.00 0.00 58.31 56.40 2dkp n LYS 112 Cb 0.16 -1.71 -0.02 0.00 -1.84 0.00 0.00 35.03 31.61 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 1.43 -0.42 -0.87 7.82 0.00 -1.64 -2.99 119.26 122.59 2dkp h ALA 113 Ca 0.46 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.44 2dkp h ALA 113 Cb 1.01 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2dkp h ALA 113 CO -0.65 -0.40 -0.39 0.52 0.00 0.00 0.00 179.25 178.33 2dkp h MET 114 N -0.73 -0.05 -0.96 0.00 2.86 0.16 0.75 114.93 116.96 2dkp h MET 114 Ca -0.03 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.78 2dkp h MET 114 Cb 0.23 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.82 2dkp h MET 114 CO 0.05 -0.03 0.61 -0.07 1.06 0.00 0.00 176.91 178.52 2dkp h LEU 115 N -0.05 0.73 -0.84 1.22 -0.00 -0.58 0.24 115.31 116.03 2dkp h LEU 115 Ca 0.30 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 58.33 2dkp h LEU 115 Cb 0.57 -0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 41.08 2dkp h LEU 115 CO -0.90 0.33 0.49 -0.78 -0.00 0.00 0.00 178.44 177.58 2dkp h ASP 116 N 0.75 0.71 0.00 -0.43 1.82 0.68 0.18 116.42 120.13 2dkp h ASP 116 Ca 0.51 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 57.16 2dkp h ASP 116 Cb 0.79 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.70 2dkp h ASP 116 CO -0.27 0.41 -0.18 0.00 -1.61 0.00 0.00 179.24 177.59 2dkp h ALA 117 N 1.45 0.03 -0.44 -0.78 0.00 -0.68 -3.37 119.26 115.47 2dkp h ALA 117 Ca 0.40 -0.50 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2dkp h ALA 117 Cb 0.34 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2dkp h ALA 117 CO -0.24 0.11 -0.16 0.00 0.00 0.00 0.00 179.25 178.96 2dkp h ALA 118 N -0.28 0.21 -1.42 0.00 0.00 -0.51 0.15 119.26 117.41 2dkp h ALA 118 Ca -0.04 0.17 0.41 0.00 0.00 0.00 0.00 54.91 55.44 2dkp h ALA 118 Cb 0.84 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2dkp h ALA 118 CO -0.03 -0.50 1.14 1.37 0.00 0.00 0.00 179.25 181.24 2dkp h LEU 119 N -0.06 0.00 -9.69 0.00 8.10 -0.81 -3.40 115.31 109.46 2dkp h LEU 119 Ca 0.21 0.00 -0.58 0.00 0.11 0.00 0.00 57.88 57.63 2dkp h LEU 119 Cb 0.39 0.00 0.12 0.00 -0.44 0.00 0.00 40.66 40.73 2dkp h LEU 119 CO -0.49 0.00 0.35 0.52 -4.11 0.00 0.00 178.44 174.71 2dkp n VAL 120 N -3.82 2.21 -3.68 0.15 0.31 0.53 -4.95 118.33 109.09 2dkp n VAL 120 Ca 0.31 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.79 2dkp n VAL 120 Cb 1.58 -1.36 -0.08 0.00 -0.91 0.00 0.00 33.84 33.07 2dkp n VAL 120 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2dkp s GLN 121 N -1.91 3.03 -0.29 5.55 -0.21 -1.26 -4.76 119.66 119.80 2dkp s GLN 121 Ca 0.59 -3.09 0.13 0.00 0.02 0.00 0.00 55.36 53.01 2dkp s GLN 121 Cb -0.58 -3.86 0.47 0.00 1.00 0.00 0.00 33.01 30.04 2dkp s GLN 121 CO 0.60 -1.24 1.15 -2.37 -2.12 0.00 0.00 175.29 171.30 2dkp n THR 122 N 2.61 2.02 -3.84 -0.19 5.66 -1.26 -5.06 114.28 114.22 2dkp n THR 122 Ca 0.18 -3.79 -0.07 0.00 -3.05 0.00 0.00 64.05 57.32 2dkp n THR 122 Cb 0.37 -0.25 -0.00 0.00 -1.55 0.00 0.00 70.33 68.90 2dkp n THR 122 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dkp s SER 123 N -3.64 -0.15 -0.18 1.09 1.04 -1.26 -4.98 113.70 105.62 2dkp s SER 123 Ca 0.42 -0.81 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 2dkp s SER 123 Cb 0.38 0.76 0.01 0.00 0.10 0.00 0.00 66.02 67.27 2dkp s SER 123 CO -0.00 -1.45 0.25 0.61 0.98 0.00 0.00 173.24 173.62 2dkp n GLY 124 N -0.49 -0.94 3.56 7.32 0.00 -1.26 -4.91 105.19 108.47 2dkp n GLY 124 Ca -0.06 0.45 -0.54 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.44 0.80 -1.77 1.61 -0.02 -1.26 -4.88 135.00 129.04 2dkp n PRO 125 Ca 0.05 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 2dkp n PRO 125 Cb 0.20 -1.87 0.05 0.00 -0.02 0.00 0.00 33.50 31.85 2dkp n PRO 125 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2dkp n SER 126 N 2.19 6.53 -4.19 2.55 7.64 -1.26 -4.92 113.62 122.16 2dkp n SER 126 Ca 0.19 -3.78 -0.40 0.00 1.01 0.00 0.00 58.87 55.89 2dkp n SER 126 Cb 0.16 -0.75 -0.09 0.00 -1.01 0.00 0.00 64.21 62.52 2dkp n SER 126 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dkp s SER 127 N -2.40 5.60 0.00 6.43 0.01 -1.26 -5.32 113.70 116.76 2dkp s SER 127 Ca 0.57 -1.97 0.11 0.00 1.31 0.00 0.00 55.95 55.97 2dkp s SER 127 Cb 0.46 -1.97 0.69 0.00 0.21 0.00 0.00 66.02 65.40 2dkp s SER 127 CO -0.09 -0.65 1.12 0.61 0.41 0.00 0.00 173.24 174.64