#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dig s SER 2 N 0.00 -0.04 -0.39 1.61 0.15 -1.26 -5.12 113.70 108.66 2dig s SER 2 Ca 0.00 0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.77 2dig s SER 2 Cb 0.00 0.08 0.11 0.00 -1.71 0.00 0.00 66.02 64.50 2dig s SER 2 CO 0.00 -0.03 0.13 -0.44 1.20 0.00 0.00 173.24 174.10 2dig s SER 3 N 0.12 4.40 -0.39 5.45 0.01 -1.26 -5.06 113.70 116.97 2dig s SER 3 Ca -0.01 -2.31 0.03 0.00 1.31 0.00 0.00 55.95 54.97 2dig s SER 3 Cb -0.01 -1.42 0.11 0.00 0.21 0.00 0.00 66.02 64.91 2dig s SER 3 CO -0.00 -0.34 0.12 -0.83 0.41 0.00 0.00 173.24 172.60 2dig s GLY 4 N 0.70 2.05 0.00 3.44 0.00 -1.26 -4.87 107.32 107.38 2dig s GLY 4 Ca 0.13 -2.69 0.00 0.00 0.00 0.00 0.00 44.72 42.16 2dig s GLY 4 CO -0.08 0.97 0.00 -1.14 0.00 0.00 0.00 173.10 172.85 2dig n SER 5 N 4.09 0.01 -4.88 1.64 3.41 -1.26 -5.08 113.62 111.55 2dig n SER 5 Ca 0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.34 2dig n SER 5 Cb 0.40 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2dig n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dig s SER 6 N -5.01 6.24 0.34 4.04 0.15 -1.26 -4.96 113.70 113.23 2dig s SER 6 Ca 0.00 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2dig s SER 6 Cb 0.00 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2dig s SER 6 CO 0.00 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2dig n GLY 7 N -2.65 -1.44 3.49 9.45 0.00 -1.26 -5.14 105.19 107.64 2dig n GLY 7 Ca 0.05 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 2dig n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dig n MET 8 N -3.18 0.06 0.28 1.61 2.00 -1.26 -4.88 117.12 111.75 2dig n MET 8 Ca 0.00 0.07 0.17 0.00 0.00 0.00 0.00 57.70 57.94 2dig n MET 8 Cb 0.00 -1.96 0.69 0.00 0.00 0.00 0.00 33.22 31.95 2dig n MET 8 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2dig h PRO 9 N -0.92 0.00 -5.46 0.03 0.13 -2.06 -3.46 132.00 120.26 2dig h PRO 9 Ca -0.45 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.16 2dig h PRO 9 Cb 1.31 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.64 2dig h PRO 9 CO 0.40 0.02 -1.38 0.43 -0.23 0.00 0.00 178.00 177.24 2dig n SER 10 N -3.13 -4.45 -3.64 1.44 7.64 -1.26 -4.98 113.62 105.23 2dig n SER 10 Ca 0.00 0.37 -0.20 0.00 1.01 0.00 0.00 58.87 60.06 2dig n SER 10 Cb 0.30 -0.73 -0.17 0.00 -1.01 0.00 0.00 64.21 62.61 2dig n SER 10 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2dig s ARG 11 N -1.38 0.01 0.30 1.43 3.52 -1.26 -5.01 118.95 116.56 2dig s ARG 11 Ca 0.44 0.32 0.21 0.00 -0.13 0.00 0.00 55.73 56.57 2dig s ARG 11 Cb -0.30 -0.78 1.04 0.00 -1.56 0.00 0.00 34.95 33.34 2dig s ARG 11 CO 0.68 -0.42 1.11 1.17 -0.81 0.00 0.00 175.30 177.03 2dig n LYS 12 N 5.30 -0.03 -4.00 5.12 4.81 -1.26 -3.48 118.16 124.63 2dig n LYS 12 Ca -0.05 0.91 -0.30 0.00 -0.87 0.00 0.00 58.31 58.00 2dig n LYS 12 Cb 0.50 -1.75 -0.16 0.00 0.02 0.00 0.00 35.03 33.63 2dig n LYS 12 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2dig s PHE 13 N -4.83 2.37 0.39 5.64 0.08 -1.26 -4.98 117.98 115.39 2dig s PHE 13 Ca -0.05 -1.52 -0.27 0.00 0.12 0.00 0.00 56.93 55.21 2dig s PHE 13 Cb 0.22 -1.63 -0.09 0.00 -0.57 0.00 0.00 43.02 40.95 2dig s PHE 13 CO 0.57 -0.73 1.34 0.00 -0.10 0.00 0.00 175.22 176.30 2dig s ALA 14 N 1.41 3.35 -0.56 5.36 0.00 -1.23 -4.88 121.76 125.23 2dig s ALA 14 Ca 0.00 1.30 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 2dig s ALA 14 Cb -0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2dig s ALA 14 CO -0.09 -0.84 2.18 -0.51 0.00 0.00 0.00 175.76 176.50 2dig s ASP 15 N -0.58 4.75 0.00 0.00 1.11 -1.26 -1.27 116.67 119.42 2dig s ASP 15 Ca 0.55 0.71 0.00 0.00 0.18 0.00 0.00 52.55 53.99 2dig s ASP 15 Cb -0.40 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.07 2dig s ASP 15 CO 0.52 -2.72 0.00 0.61 1.18 0.00 0.00 175.17 174.76 2dig n GLY 16 N 5.93 1.44 3.77 0.21 0.00 -0.71 -5.01 105.19 110.83 2dig n GLY 16 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 2dig n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dig s GLU 17 N 0.00 3.57 -0.42 1.61 -6.30 -0.40 -4.66 118.70 112.11 2dig s GLU 17 Ca 0.00 1.68 -0.19 0.00 -2.50 0.00 0.00 54.97 53.96 2dig s GLU 17 Cb 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 34.13 31.94 2dig s GLU 17 CO 0.00 -0.68 0.53 0.08 0.02 0.00 0.00 175.26 175.21 2dig s VAL 18 N -1.66 4.97 0.29 3.70 1.01 -1.26 -2.15 120.40 125.30 2dig s VAL 18 Ca 0.68 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2dig s VAL 18 Cb -0.26 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2dig s VAL 18 CO 0.30 -0.47 0.12 0.68 0.00 0.00 0.00 175.10 175.74 2dig s VAL 19 N 2.46 0.51 -0.13 2.92 -7.23 0.23 -4.90 120.40 114.25 2dig s VAL 19 Ca 0.17 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2dig s VAL 19 Cb -0.16 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2dig s VAL 19 CO 0.16 0.00 0.08 -0.13 -0.31 0.00 0.00 175.10 174.90 2dig s ARG 20 N -3.92 3.49 -0.21 4.82 3.00 -0.82 0.19 118.95 125.50 2dig s ARG 20 Ca 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 55.73 55.83 2dig s ARG 20 Cb 0.06 -3.11 0.02 0.00 0.00 0.00 0.00 34.95 31.93 2dig s ARG 20 CO 0.15 0.61 -0.14 0.20 0.00 0.00 0.00 175.30 176.12 2dig s GLY 21 N -0.57 1.50 -0.53 -3.53 0.00 -0.63 -1.62 107.32 101.93 2dig s GLY 21 Ca 0.11 -1.34 -0.27 0.00 0.00 0.00 0.00 44.72 43.22 2dig s GLY 21 CO 0.02 0.39 2.44 -2.13 0.00 0.00 0.00 173.10 173.82 2dig n ARG 22 N 4.62 0.96 -1.24 2.90 0.63 0.67 -3.54 116.66 121.66 2dig n ARG 22 Ca -0.19 0.03 -0.43 0.00 -0.92 0.00 0.00 57.85 56.35 2dig n ARG 22 Cb 0.48 -3.17 -0.03 0.00 0.45 0.00 0.00 32.46 30.20 2dig n ARG 22 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 2dig n TRP 23 N 14.86 -0.39 0.97 -0.14 -0.00 -1.12 -4.75 117.44 126.88 2dig n TRP 23 Ca 0.40 0.86 0.05 0.00 -0.00 0.00 0.00 57.50 58.82 2dig n TRP 23 Cb 0.47 -1.73 0.32 0.00 -0.00 0.00 0.00 31.31 30.37 2dig n TRP 23 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2dig n PRO 24 N 0.90 0.49 -2.48 5.87 -0.04 -1.26 -2.78 135.00 135.69 2dig n PRO 24 Ca 0.16 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2dig n PRO 24 Cb 0.21 -1.35 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 2dig n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dig n GLY 25 N -0.02 1.71 3.88 0.55 0.00 -1.26 -5.10 105.19 104.94 2dig n GLY 25 Ca 0.08 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.03 2dig n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dig s SER 26 N -3.36 -0.01 -0.26 1.61 0.15 -1.12 -5.05 113.70 105.67 2dig s SER 26 Ca 0.29 -0.58 0.10 0.00 0.70 0.00 0.00 55.95 56.46 2dig s SER 26 Cb 0.34 0.45 0.46 0.00 -1.71 0.00 0.00 66.02 65.55 2dig s SER 26 CO -0.07 -0.88 1.33 -1.20 1.20 0.00 0.00 173.24 173.62 2dig n SER 27 N -1.13 2.29 -4.19 5.45 7.64 -1.26 -4.63 113.62 117.79 2dig n SER 27 Ca -0.03 -3.85 -0.16 0.00 1.01 0.00 0.00 58.87 55.84 2dig n SER 27 Cb 0.60 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 2dig n SER 27 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dig s LEU 28 N -3.28 2.38 -0.11 -3.43 1.43 -1.26 -5.07 118.68 109.34 2dig s LEU 28 Ca 0.42 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2dig s LEU 28 Cb 0.39 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 46.16 2dig s LEU 28 CO -0.04 -0.19 0.06 -0.31 0.23 0.00 0.00 176.35 176.10 2dig s TYR 29 N -2.13 3.33 0.03 0.29 1.51 -1.26 -2.81 117.35 116.31 2dig s TYR 29 Ca 0.05 0.30 0.07 0.00 -1.01 0.00 0.00 57.07 56.48 2dig s TYR 29 Cb -0.05 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2dig s TYR 29 CO 0.01 0.53 -0.19 0.71 -1.11 0.00 0.00 175.55 175.51 2dig s TYR 30 N -0.80 1.68 0.25 2.71 1.51 -1.23 -4.87 117.35 116.60 2dig s TYR 30 Ca 0.13 -0.36 -0.29 0.00 -1.01 0.00 0.00 57.07 55.54 2dig s TYR 30 Cb -0.12 -1.02 -0.15 0.00 -0.11 0.00 0.00 41.96 40.57 2dig s TYR 30 CO 0.03 0.06 0.99 -1.91 -1.11 0.00 0.00 175.55 173.61 2dig n GLU 31 N 2.00 1.15 -3.51 -0.62 0.00 -1.26 -1.60 120.64 116.80 2dig n GLU 31 Ca -0.17 0.41 -0.10 0.00 0.00 0.00 0.00 57.16 57.30 2dig n GLU 31 Cb 0.54 -1.76 -0.02 0.00 0.00 0.00 0.00 31.44 30.19 2dig n GLU 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2dig s VAL 32 N -0.85 0.00 0.16 6.31 -7.23 0.50 -4.48 120.40 114.82 2dig s VAL 32 Ca 0.63 -0.12 0.07 0.00 -1.81 0.00 0.00 61.98 60.75 2dig s VAL 32 Cb -0.76 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 2dig s VAL 32 CO 0.58 0.00 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.66 2dig s GLU 33 N -3.47 2.42 -0.32 4.82 2.12 -0.64 0.75 118.70 124.38 2dig s GLU 33 Ca 0.04 -1.06 -0.21 0.00 0.36 0.00 0.00 54.97 54.11 2dig s GLU 33 Cb -0.01 -2.39 -0.00 0.00 0.26 0.00 0.00 34.13 31.98 2dig s GLU 33 CO -0.09 0.47 0.65 0.42 -0.54 0.00 0.00 175.26 176.17 2dig s ILE 34 N -1.64 4.90 -0.19 -3.70 -1.09 -0.91 -1.40 121.20 117.17 2dig s ILE 34 Ca 0.27 0.80 -0.17 0.00 -2.23 0.00 0.00 60.65 59.32 2dig s ILE 34 Cb -0.10 -4.04 -0.13 0.00 -1.58 0.00 0.00 42.46 36.61 2dig s ILE 34 CO 0.18 -0.21 0.03 0.18 -1.23 0.00 0.00 174.94 173.89 2dig n LEU 35 N 5.97 1.85 0.00 2.97 4.77 0.09 -1.74 117.00 130.92 2dig n LEU 35 Ca -0.01 0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 56.40 2dig n LEU 35 Cb 0.49 -0.92 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2dig n LEU 35 CO 0.47 0.02 0.51 -1.20 -1.33 0.00 0.00 177.39 175.86 2dig n SER 36 N -4.49 -1.79 -3.84 -1.43 7.64 -1.17 -4.84 113.62 103.70 2dig n SER 36 Ca -0.24 -2.17 -0.09 0.00 1.01 0.00 0.00 58.87 57.37 2dig n SER 36 Cb 0.54 2.97 -0.07 0.00 -1.01 0.00 0.00 64.21 66.64 2dig n SER 36 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2dig s HIS 37 N -3.14 0.12 -0.02 1.43 2.46 -1.26 -1.98 115.29 112.89 2dig s HIS 37 Ca 0.15 -0.50 0.03 0.00 0.47 0.00 0.00 55.06 55.20 2dig s HIS 37 Cb -0.04 -0.04 -0.00 0.00 -0.13 0.00 0.00 32.58 32.38 2dig s HIS 37 CO 0.08 -0.53 -0.10 0.34 -2.47 0.00 0.00 174.74 172.06 2dig s ASP 38 N -2.72 1.27 0.00 9.88 -1.08 -1.07 -5.01 116.67 117.93 2dig s ASP 38 Ca 0.03 -0.20 0.24 0.00 -0.52 0.00 0.00 52.55 52.10 2dig s ASP 38 Cb 0.04 -0.28 0.48 0.00 -1.46 0.00 0.00 42.92 41.69 2dig s ASP 38 CO -0.10 0.09 1.42 -1.54 0.52 0.00 0.00 175.17 175.56 2dig n SER 39 N 3.15 2.78 -0.06 -0.34 3.41 -1.26 -2.39 113.62 118.91 2dig n SER 39 Ca -0.17 -1.89 -0.03 0.00 -0.26 0.00 0.00 58.87 56.52 2dig n SER 39 Cb 0.55 -0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 2dig n SER 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2dig n THR 40 N 1.10 0.75 0.30 6.66 -1.04 -1.26 -4.55 114.28 116.23 2dig n THR 40 Ca 0.17 -0.56 0.03 0.00 -2.04 0.00 0.00 64.05 61.65 2dig n THR 40 Cb 0.53 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.61 2dig n THR 40 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2dig n SER 41 N -2.42 0.68 -3.30 8.00 3.41 -1.26 -5.00 113.62 113.73 2dig n SER 41 Ca -0.19 -0.84 -0.23 0.00 -0.26 0.00 0.00 58.87 57.35 2dig n SER 41 Cb 0.84 0.71 0.01 0.00 -0.26 0.00 0.00 64.21 65.50 2dig n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dig n GLN 42 N -0.69 -3.96 -4.85 4.33 1.13 -1.01 -4.96 117.38 107.37 2dig n GLN 42 Ca 0.02 0.60 -0.29 0.00 -1.94 0.00 0.00 57.00 55.40 2dig n GLN 42 Cb 0.12 -5.37 -0.15 0.00 0.11 0.00 0.00 30.24 24.96 2dig n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dig s LEU 43 N -6.60 2.16 -0.12 1.08 1.43 -1.24 -4.10 118.68 111.28 2dig s LEU 43 Ca 0.39 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2dig s LEU 43 Cb -0.20 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 2dig s LEU 43 CO 0.48 0.23 -0.06 -0.31 0.23 0.00 0.00 176.35 176.92 2dig s TYR 44 N -0.78 2.97 -0.56 0.29 1.51 0.64 -2.60 117.35 118.81 2dig s TYR 44 Ca 0.10 -0.25 -0.20 0.00 -1.01 0.00 0.00 57.07 55.72 2dig s TYR 44 Cb -0.10 -1.87 0.07 0.00 -0.11 0.00 0.00 41.96 39.96 2dig s TYR 44 CO 0.02 0.06 0.73 0.99 -1.11 0.00 0.00 175.55 176.24 2dig s THR 45 N -0.01 4.73 0.23 -0.71 2.01 -0.84 -1.02 115.64 120.04 2dig s THR 45 Ca -0.00 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.48 2dig s THR 45 Cb -0.13 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2dig s THR 45 CO 0.03 -1.05 0.13 0.68 -0.69 0.00 0.00 174.62 173.73 2dig s VAL 46 N 2.98 4.20 -0.05 3.82 -7.23 -1.06 -0.73 120.40 122.32 2dig s VAL 46 Ca 0.16 -1.46 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 2dig s VAL 46 Cb -0.20 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.49 2dig s VAL 46 CO 0.10 -0.30 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.62 2dig s LYS 47 N -3.62 2.52 0.16 4.82 2.20 -0.50 -2.61 119.74 122.71 2dig s LYS 47 Ca 0.32 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 55.11 2dig s LYS 47 Cb -0.08 -2.21 -0.04 0.00 -1.51 0.00 0.00 37.83 34.00 2dig s LYS 47 CO 0.23 0.44 0.23 0.71 -0.36 0.00 0.00 175.35 176.60 2dig s TYR 48 N -0.31 3.34 0.03 4.03 1.51 -0.42 -1.62 117.35 123.92 2dig s TYR 48 Ca 0.01 0.05 -0.07 0.00 -1.01 0.00 0.00 57.07 56.05 2dig s TYR 48 Cb -0.13 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2dig s TYR 48 CO 0.02 0.51 1.13 -0.22 -1.11 0.00 0.00 175.55 175.88 2dig h LYS 49 N 2.20 -0.05 -1.47 -0.62 1.63 -1.91 0.47 116.57 116.82 2dig h LYS 49 Ca -0.48 0.00 0.45 0.00 -0.85 0.00 0.00 60.65 59.77 2dig h LYS 49 Cb 1.20 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.75 2dig h LYS 49 CO 0.66 -0.03 1.03 -0.40 -3.45 0.00 0.00 179.45 177.25 2dig n ASP 50 N -3.41 0.07 0.00 4.20 5.75 -1.26 -4.68 116.55 117.22 2dig n ASP 50 Ca -0.00 0.95 0.00 0.00 -0.01 0.00 0.00 54.79 55.73 2dig n ASP 50 Cb 0.07 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2dig n ASP 50 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dig n GLY 51 N -1.65 0.66 3.20 6.12 0.00 0.16 -5.13 105.19 108.55 2dig n GLY 51 Ca 0.36 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 2dig n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dig s THR 52 N -0.70 1.59 -0.18 2.61 2.01 -1.20 -4.92 115.64 114.85 2dig s THR 52 Ca 0.00 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 2dig s THR 52 Cb 0.00 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2dig s THR 52 CO 0.00 0.45 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.76 2dig s GLU 53 N -0.38 3.66 0.33 4.92 2.02 -1.26 -1.31 118.70 126.67 2dig s GLU 53 Ca 0.06 -0.51 0.03 0.00 0.02 0.00 0.00 54.97 54.56 2dig s GLU 53 Cb -0.09 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2dig s GLU 53 CO -0.00 0.12 0.11 -0.51 0.02 0.00 0.00 175.26 175.00 2dig s LEU 54 N 0.69 1.89 -0.29 1.80 1.43 -1.07 -5.00 118.68 118.13 2dig s LEU 54 Ca -0.01 -1.49 0.01 0.00 -1.03 0.00 0.00 54.13 51.61 2dig s LEU 54 Cb -0.14 -0.09 0.07 0.00 0.03 0.00 0.00 46.19 46.05 2dig s LEU 54 CO 0.02 -0.78 -0.04 -1.61 0.23 0.00 0.00 176.35 174.18 2dig s GLU 55 N -3.86 2.18 -0.08 1.70 2.02 -1.26 -2.56 118.70 116.84 2dig s GLU 55 Ca 0.33 -1.42 0.04 0.00 0.02 0.00 0.00 54.97 53.94 2dig s GLU 55 Cb 0.06 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.21 2dig s GLU 55 CO 0.15 -0.66 -0.20 -0.51 0.02 0.00 0.00 175.26 174.05 2dig s LEU 56 N 1.12 2.34 1.05 1.80 1.43 -0.19 -4.79 118.68 121.45 2dig s LEU 56 Ca -0.04 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 2dig s LEU 56 Cb -0.20 -1.46 0.20 0.00 0.03 0.00 0.00 46.19 44.76 2dig s LEU 56 CO -0.04 0.24 0.94 0.29 0.23 0.00 0.00 176.35 178.01 2dig n LYS 57 N 2.99 -1.42 0.30 1.70 5.02 -1.26 -0.26 118.16 125.24 2dig n LYS 57 Ca -0.18 -0.37 0.19 0.00 -2.02 0.00 0.00 58.31 55.93 2dig n LYS 57 Cb 0.52 -2.19 1.02 0.00 -0.02 0.00 0.00 35.03 34.37 2dig n LYS 57 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2dig h GLU 58 N -2.24 0.00 0.15 1.97 4.81 -1.92 -1.51 114.58 115.84 2dig h GLU 58 Ca -0.52 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.37 2dig h GLU 58 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 2dig h GLU 58 CO 0.44 0.00 -1.71 -0.97 -0.73 0.00 0.00 179.01 176.04 2dig h ASN 59 N 0.00 0.51 0.22 1.04 -1.24 -1.93 -3.30 115.58 110.87 2dig h ASN 59 Ca 0.01 -0.78 0.00 0.00 0.71 0.00 0.00 56.30 56.24 2dig h ASN 59 Cb 0.13 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2dig h ASN 59 CO -0.00 1.66 0.00 0.44 -1.29 0.00 0.00 177.43 178.24 2dig h ASP 60 N 0.09 0.00 -3.32 1.15 5.19 -1.60 -3.41 116.42 114.51 2dig h ASP 60 Ca -0.32 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.42 2dig h ASP 60 Cb 2.07 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 41.44 2dig h ASP 60 CO 0.16 0.00 -0.63 -0.63 -3.12 0.00 0.00 179.24 175.02 2dig s ILE 61 N -3.55 4.28 -0.06 0.35 1.01 -1.07 -0.24 121.20 121.92 2dig s ILE 61 Ca -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 2dig s ILE 61 Cb 0.08 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.72 2dig s ILE 61 CO 0.28 0.50 0.16 -1.59 0.00 0.00 0.00 174.94 174.28 2dig s LYS 62 N -1.21 0.14 0.58 2.79 -2.85 -0.64 -4.93 119.74 113.62 2dig s LYS 62 Ca 0.16 0.31 0.26 0.00 -1.00 0.00 0.00 55.97 55.71 2dig s LYS 62 Cb -0.11 -0.05 1.44 0.00 -2.06 0.00 0.00 37.83 37.05 2dig s LYS 62 CO 0.06 -0.10 1.79 0.66 0.10 0.00 0.00 175.35 177.87 2dig h SER 63 N 6.59 0.00 -4.69 0.03 4.64 -1.92 -2.19 113.55 116.02 2dig h SER 63 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2dig h SER 63 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2dig h SER 63 CO 0.41 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 2dig n GLY 64 N -1.23 0.25 0.13 -0.77 0.00 -1.26 -4.65 105.19 97.65 2dig n GLY 64 Ca -0.02 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 2dig n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dig h PRO 65 N 0.00 0.32 -6.42 1.61 0.13 -2.01 -3.44 132.00 122.19 2dig h PRO 65 Ca 0.00 -0.17 -0.54 0.00 -0.87 0.00 0.00 66.00 64.42 2dig h PRO 65 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2dig h PRO 65 CO 0.00 0.72 0.03 0.45 -0.23 0.00 0.00 178.00 178.96 2dig s SER 66 N -6.09 7.01 -0.80 1.44 0.15 -1.26 -5.03 113.70 109.13 2dig s SER 66 Ca -0.14 1.30 -0.16 0.00 0.70 0.00 0.00 55.95 57.64 2dig s SER 66 Cb 0.05 -2.37 0.17 0.00 -1.71 0.00 0.00 66.02 62.15 2dig s SER 66 CO 0.75 0.12 0.86 -0.55 1.20 0.00 0.00 173.24 175.61 2dig s SER 67 N -1.52 6.59 0.00 5.45 0.15 -1.26 -5.05 113.70 118.06 2dig s SER 67 Ca 0.38 -2.22 0.00 0.00 0.70 0.00 0.00 55.95 54.81 2dig s SER 67 Cb -0.17 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2dig s SER 67 CO 0.20 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.41