#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 4.09 -0.04 1.61 0.01 -1.26 -5.09 113.70 113.02 2dig s SER 2 Ca 0.00 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.40 2dig s SER 2 Cb 0.00 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.64 2dig s SER 2 CO 0.00 -0.10 0.02 -0.55 0.41 0.00 0.00 173.24 173.02 2dig s SER 3 N 1.30 0.88 -0.30 2.44 0.15 -1.26 -5.11 113.70 111.80 2dig s SER 3 Ca 0.01 0.00 -0.00 0.00 0.70 0.00 0.00 55.95 56.65 2dig s SER 3 Cb -0.16 -0.23 0.10 0.00 -1.71 0.00 0.00 66.02 64.02 2dig s SER 3 CO -0.06 -0.17 0.08 -0.83 1.20 0.00 0.00 173.24 173.46 2dig s GLY 4 N 1.61 1.16 0.30 9.45 0.00 -1.26 -5.12 107.32 113.47 2dig s GLY 4 Ca -0.02 -1.70 0.09 0.00 0.00 0.00 0.00 44.72 43.10 2dig s GLY 4 CO -0.03 1.49 -0.11 -1.35 0.00 0.00 0.00 173.10 173.10 2dig s SER 5 N 1.54 3.36 0.00 1.64 1.04 -1.26 -5.07 113.70 114.95 2dig s SER 5 Ca 0.08 -1.15 -0.25 0.00 0.48 0.00 0.00 55.95 55.11 2dig s SER 5 Cb -0.17 -0.28 -0.17 0.00 0.10 0.00 0.00 66.02 65.50 2dig s SER 5 CO -0.21 -0.19 1.27 0.77 0.98 0.00 0.00 173.24 175.85 2dig h SER 6 N 2.18 -0.23 0.00 7.02 4.64 -2.10 -3.47 113.55 121.59 2dig h SER 6 Ca -0.41 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 2dig h SER 6 Cb 1.25 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2dig h SER 6 CO 0.67 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 2dig n GLY 7 N -0.20 1.81 3.61 -0.77 0.00 -1.26 -5.18 105.19 103.20 2dig n GLY 7 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2dig n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dig s MET 8 N 3.50 0.61 0.01 1.61 0.00 -1.26 -5.14 119.30 118.63 2dig s MET 8 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 55.69 55.86 2dig s MET 8 Cb 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 34.83 35.06 2dig s MET 8 CO 0.00 -0.12 1.45 -1.25 0.00 0.00 0.00 175.02 175.09 2dig s PRO 9 N -0.27 4.26 0.11 3.16 0.04 -1.26 -5.02 135.00 136.02 2dig s PRO 9 Ca 0.00 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.13 2dig s PRO 9 Cb -0.03 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 2dig s PRO 9 CO -0.02 -0.61 -0.14 -1.12 0.04 0.00 0.00 177.00 175.15 2dig s SER 10 N 2.01 1.95 0.84 6.66 0.01 -1.26 -5.13 113.70 118.77 2dig s SER 10 Ca 0.66 -0.77 -0.14 0.00 1.31 0.00 0.00 55.95 57.01 2dig s SER 10 Cb -0.33 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 65.87 2dig s SER 10 CO 0.27 -0.13 0.73 0.54 0.41 0.00 0.00 173.24 175.06 2dig n ARG 11 N 0.70 0.03 0.11 12.44 1.74 -1.26 -4.92 116.66 125.49 2dig n ARG 11 Ca -0.17 0.07 0.05 0.00 -0.77 0.00 0.00 57.85 57.03 2dig n ARG 11 Cb 0.56 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 2dig n ARG 11 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2dig h LYS 12 N -1.01 0.00 -4.36 5.56 3.11 -2.00 -3.43 116.57 114.44 2dig h LYS 12 Ca -0.45 0.00 -0.61 0.00 -2.81 0.00 0.00 60.65 56.78 2dig h LYS 12 Cb 1.31 0.00 -0.38 0.00 -1.00 0.00 0.00 32.23 32.15 2dig h LYS 12 CO 0.41 0.23 -0.78 -0.06 -2.81 0.00 0.00 179.45 176.43 2dig s PHE 13 N -3.09 2.45 0.20 1.91 0.08 -1.26 -5.10 117.98 113.17 2dig s PHE 13 Ca 0.01 -1.82 -0.30 0.00 0.12 0.00 0.00 56.93 54.94 2dig s PHE 13 Cb 0.08 -1.64 -0.16 0.00 -0.57 0.00 0.00 43.02 40.73 2dig s PHE 13 CO 0.77 -0.79 0.93 0.00 -0.10 0.00 0.00 175.22 176.03 2dig n ALA 14 N 4.65 -1.41 -1.71 5.36 0.00 -1.26 -4.82 120.51 121.33 2dig n ALA 14 Ca -0.11 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 2dig n ALA 14 Cb 0.44 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 2dig n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dig n ASP 15 N 1.71 3.49 0.00 0.00 2.03 -1.26 -1.07 116.55 121.46 2dig n ASP 15 Ca 0.14 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.57 2dig n ASP 15 Cb 0.26 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 2dig n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dig n GLY 16 N 2.87 2.55 3.77 0.27 0.00 0.39 -4.96 105.19 110.08 2dig n GLY 16 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.28 3.92 -0.59 1.61 2.56 -0.23 -4.39 118.70 121.30 2dig s GLU 17 Ca 0.00 2.40 -0.20 0.00 0.00 0.00 0.00 54.97 57.17 2dig s GLU 17 Cb 0.00 -2.80 0.08 0.00 2.00 0.00 0.00 34.13 33.40 2dig s GLU 17 CO 0.00 -0.62 0.78 0.08 -0.56 0.00 0.00 175.26 174.94 2dig s VAL 18 N -1.18 4.66 0.33 3.70 1.01 -1.26 -1.58 120.40 126.07 2dig s VAL 18 Ca 0.57 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2dig s VAL 18 Cb -0.43 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.45 2dig s VAL 18 CO 0.57 -1.14 0.05 1.33 0.00 0.00 0.00 175.10 175.91 2dig n VAL 19 N 5.73 0.00 -3.92 2.92 0.24 0.08 -4.92 118.33 118.46 2dig n VAL 19 Ca -0.06 -1.50 -0.35 0.00 -2.04 0.00 0.00 64.34 60.39 2dig n VAL 19 Cb 0.44 0.20 -0.14 0.00 -1.47 0.00 0.00 33.84 32.88 2dig n VAL 19 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2dig s ARG 20 N -3.22 3.39 -0.08 7.34 0.52 0.20 -0.47 118.95 126.63 2dig s ARG 20 Ca 0.04 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 2dig s ARG 20 Cb -0.00 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 2dig s ARG 20 CO 0.03 -0.19 -0.10 0.20 0.02 0.00 0.00 175.30 175.26 2dig s GLY 21 N 1.46 1.61 -0.66 -3.53 0.00 -0.73 -0.32 107.32 105.15 2dig s GLY 21 Ca 0.05 -0.91 -0.28 0.00 0.00 0.00 0.00 44.72 43.59 2dig s GLY 21 CO -0.03 -0.53 1.25 -1.60 0.00 0.00 0.00 173.10 172.19 2dig s ARG 22 N -0.41 3.35 0.31 2.90 3.52 -1.12 -1.74 118.95 125.77 2dig s ARG 22 Ca 0.05 0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.40 2dig s ARG 22 Cb -0.12 -4.10 -0.13 0.00 -1.56 0.00 0.00 34.95 29.03 2dig s ARG 22 CO 0.02 -1.92 1.05 1.87 -0.81 0.00 0.00 175.30 175.51 2dig n TRP 23 N 8.96 1.42 -2.08 5.12 -0.00 -0.65 -4.82 117.44 125.39 2dig n TRP 23 Ca 0.06 0.66 -0.42 0.00 -0.00 0.00 0.00 57.50 57.80 2dig n TRP 23 Cb 0.49 -2.27 -0.03 0.00 -0.00 0.00 0.00 31.31 29.50 2dig n TRP 23 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2dig s PRO 24 N -1.66 3.26 0.00 5.87 0.04 -1.26 -2.35 135.00 138.90 2dig s PRO 24 Ca 0.58 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2dig s PRO 24 Cb -0.66 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 29.69 2dig s PRO 24 CO 0.60 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 176.10 2dig n GLY 25 N 5.40 3.12 0.17 0.56 0.00 -1.26 -4.84 105.19 108.33 2dig n GLY 25 Ca 0.21 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 45.29 2dig n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dig h SER 26 N 0.80 0.00 -2.85 1.61 0.87 -1.92 -3.47 113.55 108.59 2dig h SER 26 Ca 0.00 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.18 2dig h SER 26 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2dig h SER 26 CO 0.00 0.43 -0.47 -1.20 -0.53 0.00 0.00 176.83 175.06 2dig n SER 27 N -3.34 -5.42 -4.16 6.23 7.64 -0.99 -4.97 113.62 108.61 2dig n SER 27 Ca 0.01 0.10 -0.27 0.00 1.01 0.00 0.00 58.87 59.72 2dig n SER 27 Cb 0.63 -4.57 -0.16 0.00 -1.01 0.00 0.00 64.21 59.09 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 -5.73 1.96 -0.12 -3.43 1.43 -1.26 -4.94 118.68 106.60 2dig s LEU 28 Ca 0.00 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 2dig s LEU 28 Cb 0.00 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 2dig s LEU 28 CO 0.00 0.18 0.76 -0.31 0.23 0.00 0.00 176.35 177.21 2dig s TYR 29 N -0.10 3.50 0.26 0.29 1.51 -1.26 -1.64 117.35 119.91 2dig s TYR 29 Ca -0.01 1.23 0.08 0.00 -1.01 0.00 0.00 57.07 57.37 2dig s TYR 29 Cb -0.11 -2.90 -0.05 0.00 -0.11 0.00 0.00 41.96 38.79 2dig s TYR 29 CO 0.02 -0.08 -0.11 0.71 -1.11 0.00 0.00 175.55 174.98 2dig s TYR 30 N 1.47 1.99 -0.26 2.71 2.02 -0.71 -4.85 117.35 119.72 2dig s TYR 30 Ca 0.37 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 56.21 2dig s TYR 30 Cb -0.17 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.34 2dig s TYR 30 CO 0.15 0.41 1.69 -2.00 -1.57 0.00 0.00 175.55 174.23 2dig s GLU 31 N -3.65 3.62 0.05 -0.62 2.12 -1.26 -1.77 118.70 117.19 2dig s GLU 31 Ca 0.28 1.56 0.02 0.00 0.36 0.00 0.00 54.97 57.19 2dig s GLU 31 Cb 0.01 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.27 2dig s GLU 31 CO 0.11 -1.52 -0.07 0.14 -0.54 0.00 0.00 175.26 173.39 2dig s VAL 32 N 5.85 0.50 0.11 3.70 -7.23 0.39 -4.21 120.40 119.50 2dig s VAL 32 Ca 0.75 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 2dig s VAL 32 Cb -0.24 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 2dig s VAL 32 CO 0.31 -0.57 0.19 -0.70 -0.31 0.00 0.00 175.10 174.02 2dig s GLU 33 N -2.32 3.22 -0.20 4.82 2.12 -0.79 -0.74 118.70 124.80 2dig s GLU 33 Ca -0.04 -0.61 -0.25 0.00 0.36 0.00 0.00 54.97 54.43 2dig s GLU 33 Cb -0.05 -2.88 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 2dig s GLU 33 CO -0.02 0.56 0.81 0.42 -0.54 0.00 0.00 175.26 176.49 2dig s ILE 34 N -1.58 4.87 -0.18 -3.70 -1.09 -0.61 -1.40 121.20 117.51 2dig s ILE 34 Ca 0.33 1.57 -0.16 0.00 -2.23 0.00 0.00 60.65 60.16 2dig s ILE 34 Cb -0.12 -4.11 -0.06 0.00 -1.58 0.00 0.00 42.46 36.59 2dig s ILE 34 CO 0.26 -0.01 -0.33 0.18 -1.23 0.00 0.00 174.94 173.82 2dig n LEU 35 N 5.53 1.87 0.00 2.97 4.77 0.81 -0.46 117.00 132.48 2dig n LEU 35 Ca 0.04 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.24 2dig n LEU 35 Cb 0.48 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2dig n LEU 35 CO 0.47 -0.17 0.01 -1.20 -1.33 0.00 0.00 177.39 175.17 2dig n SER 36 N -4.36 -0.58 -3.54 -1.43 7.64 -0.99 -4.80 113.62 105.58 2dig n SER 36 Ca -0.19 -2.23 -0.17 0.00 1.01 0.00 0.00 58.87 57.29 2dig n SER 36 Cb 0.54 1.20 -0.06 0.00 -1.01 0.00 0.00 64.21 64.88 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 -3.18 -0.68 -0.08 1.43 2.46 -1.26 -1.57 115.29 112.41 2dig s HIS 37 Ca 0.21 1.24 0.04 0.00 0.47 0.00 0.00 55.06 57.03 2dig s HIS 37 Cb 0.00 0.39 -0.00 0.00 -0.13 0.00 0.00 32.58 32.84 2dig s HIS 37 CO 0.15 -0.58 -0.23 0.34 -2.47 0.00 0.00 174.74 171.96 2dig s ASP 38 N -0.97 2.90 0.11 9.88 -1.08 -0.66 -4.99 116.67 121.86 2dig s ASP 38 Ca -0.09 -0.51 0.17 0.00 -0.52 0.00 0.00 52.55 51.59 2dig s ASP 38 Cb -0.01 -1.18 -0.09 0.00 -1.46 0.00 0.00 42.92 40.18 2dig s ASP 38 CO 0.09 0.17 0.95 0.77 0.52 0.00 0.00 175.17 177.66 2dig h SER 39 N 6.56 0.00 0.87 -0.34 4.64 -1.96 0.72 113.55 124.04 2dig h SER 39 Ca -0.24 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.88 2dig h SER 39 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 2dig h SER 39 CO 0.47 0.53 -1.22 0.74 -0.87 0.00 0.00 176.83 176.49 2dig h THR 40 N 0.00 0.97 0.00 2.95 2.02 -1.99 -3.36 112.91 113.51 2dig h THR 40 Ca -0.12 -2.60 -0.07 0.00 0.77 0.00 0.00 66.41 64.39 2dig h THR 40 Cb 1.52 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 70.33 2dig h THR 40 CO 0.05 0.55 -1.82 -0.24 0.37 0.00 0.00 175.52 174.43 2dig n SER 41 N -3.11 1.27 -2.53 4.18 2.88 -1.25 -5.01 113.62 110.04 2dig n SER 41 Ca -0.07 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.29 2dig n SER 41 Cb 0.90 1.52 0.04 0.00 -0.75 0.00 0.00 64.21 65.92 2dig n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dig n GLN 42 N -2.20 -4.49 -5.22 -1.46 1.13 0.24 -5.01 117.38 100.37 2dig n GLN 42 Ca -0.09 0.69 -0.32 0.00 -1.94 0.00 0.00 57.00 55.34 2dig n GLN 42 Cb 0.57 -5.13 -0.17 0.00 0.11 0.00 0.00 30.24 25.62 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 -5.45 2.08 -0.25 1.08 1.43 -1.19 -3.62 118.68 112.76 2dig s LEU 43 Ca 0.30 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 2dig s LEU 43 Cb -0.13 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 2dig s LEU 43 CO 0.37 0.18 0.15 -0.31 0.23 0.00 0.00 176.35 176.97 2dig s TYR 44 N 0.23 3.25 -0.59 0.29 1.51 0.80 -1.65 117.35 121.19 2dig s TYR 44 Ca -0.15 0.10 -0.25 0.00 -1.01 0.00 0.00 57.07 55.75 2dig s TYR 44 Cb -0.17 -2.28 0.04 0.00 -0.11 0.00 0.00 41.96 39.44 2dig s TYR 44 CO 0.08 -0.05 1.05 0.99 -1.11 0.00 0.00 175.55 176.51 2dig s THR 45 N 1.29 4.20 0.20 -0.71 2.01 -0.61 -1.56 115.64 120.46 2dig s THR 45 Ca 0.07 0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.56 2dig s THR 45 Cb -0.14 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.68 2dig s THR 45 CO 0.06 -1.29 0.02 0.68 -0.69 0.00 0.00 174.62 173.40 2dig s VAL 46 N 4.44 3.75 -0.07 3.82 -7.23 -1.03 -0.14 120.40 123.94 2dig s VAL 46 Ca 0.34 -1.50 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 2dig s VAL 46 Cb -0.11 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 2dig s VAL 46 CO 0.20 -0.17 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.88 2dig s LYS 47 N -3.14 2.75 0.32 4.82 2.20 -0.49 -2.28 119.74 123.91 2dig s LYS 47 Ca 0.29 -0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 55.13 2dig s LYS 47 Cb -0.09 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 2dig s LYS 47 CO 0.19 0.43 0.52 0.71 -0.36 0.00 0.00 175.35 176.85 2dig s TYR 48 N -0.25 3.49 0.03 4.03 1.51 0.69 -1.89 117.35 124.97 2dig s TYR 48 Ca 0.00 0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 56.34 2dig s TYR 48 Cb -0.13 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2dig s TYR 48 CO 0.03 0.17 1.14 -0.22 -1.11 0.00 0.00 175.55 175.56 2dig h LYS 49 N 1.01 -0.07 -1.04 -0.62 3.64 -1.90 0.21 116.57 117.81 2dig h LYS 49 Ca -0.49 0.01 0.37 0.00 -1.27 0.00 0.00 60.65 59.27 2dig h LYS 49 Cb 1.21 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.93 2dig h LYS 49 CO 0.63 -0.05 0.65 -0.25 -2.27 0.00 0.00 179.45 178.15 2dig n ASP 50 N -3.43 0.20 0.00 4.20 8.00 -1.26 -4.68 116.55 119.58 2dig n ASP 50 Ca -0.01 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.67 2dig n ASP 50 Cb 0.08 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 2dig n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dig n GLY 51 N -1.37 0.95 3.44 0.44 0.00 0.74 -5.15 105.19 104.24 2dig n GLY 51 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.29 2.55 -0.09 2.61 2.01 -1.21 -4.90 115.64 115.32 2dig s THR 52 Ca 0.00 -1.64 0.04 0.00 0.31 0.00 0.00 61.69 60.40 2dig s THR 52 Cb 0.00 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 2dig s THR 52 CO 0.00 0.09 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.19 2dig s GLU 53 N -2.10 2.91 0.26 4.92 2.02 -1.26 -0.22 118.70 125.22 2dig s GLU 53 Ca 0.16 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.32 2dig s GLU 53 Cb -0.10 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 2dig s GLU 53 CO 0.08 0.28 0.16 -0.51 0.02 0.00 0.00 175.26 175.28 2dig s LEU 54 N 0.12 1.46 -0.22 1.80 1.43 -0.97 -5.00 118.68 117.30 2dig s LEU 54 Ca -0.11 -1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 51.46 2dig s LEU 54 Cb -0.16 0.31 -0.00 0.00 0.03 0.00 0.00 46.19 46.37 2dig s LEU 54 CO 0.06 -0.87 -0.05 -1.61 0.23 0.00 0.00 176.35 174.10 2dig s GLU 55 N -3.93 3.29 -0.09 1.70 2.02 -1.26 -2.47 118.70 117.96 2dig s GLU 55 Ca 0.38 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.71 2dig s GLU 55 Cb 0.06 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.32 2dig s GLU 55 CO 0.16 -0.22 -0.15 -0.51 0.02 0.00 0.00 175.26 174.56 2dig s LEU 56 N 1.45 1.72 0.60 1.80 1.43 -0.60 -4.86 118.68 120.22 2dig s LEU 56 Ca 0.05 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.58 2dig s LEU 56 Cb -0.14 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 2dig s LEU 56 CO -0.04 0.04 1.29 -0.54 0.23 0.00 0.00 176.35 177.33 2dig s LYS 57 N 0.76 2.86 0.59 1.70 1.02 -1.26 -0.14 119.74 125.27 2dig s LYS 57 Ca -0.12 2.06 0.33 0.00 0.02 0.00 0.00 55.97 58.26 2dig s LYS 57 Cb -0.16 -2.01 1.28 0.00 -0.52 0.00 0.00 37.83 36.42 2dig s LYS 57 CO 0.02 -1.36 1.55 1.49 -0.92 0.00 0.00 175.35 176.13 2dig h GLU 58 N 0.95 0.00 0.16 1.68 4.81 -1.93 0.78 114.58 121.04 2dig h GLU 58 Ca -0.51 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.45 2dig h GLU 58 Cb 1.31 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.71 2dig h GLU 58 CO 0.55 0.00 -1.28 -0.97 -0.73 0.00 0.00 179.01 176.58 2dig h ASN 59 N 0.00 0.54 -0.14 1.04 -0.73 -1.91 -3.29 115.58 111.09 2dig h ASN 59 Ca 0.52 -0.91 0.04 0.00 1.87 0.00 0.00 56.30 57.82 2dig h ASN 59 Cb 2.62 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 41.03 2dig h ASN 59 CO -0.01 1.59 0.18 0.44 -0.37 0.00 0.00 177.43 179.26 2dig h ASP 60 N -0.18 0.00 -3.13 1.15 5.19 0.25 -3.40 116.42 116.30 2dig h ASP 60 Ca -0.25 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.57 2dig h ASP 60 Cb 1.86 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.31 2dig h ASP 60 CO 0.15 0.00 -0.13 -0.63 -3.12 0.00 0.00 179.24 175.51 2dig s ILE 61 N -4.57 4.94 0.01 0.35 1.01 -0.85 -2.79 121.20 119.31 2dig s ILE 61 Ca -0.05 1.00 0.01 0.00 0.00 0.00 0.00 60.65 61.61 2dig s ILE 61 Cb 0.15 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2dig s ILE 61 CO 0.52 0.54 -0.04 -0.54 0.00 0.00 0.00 174.94 175.42 2dig s LYS 62 N -0.89 0.31 0.07 2.79 1.02 0.56 -4.95 119.74 118.66 2dig s LYS 62 Ca 0.26 -0.35 0.06 0.00 0.02 0.00 0.00 55.97 55.96 2dig s LYS 62 Cb -0.18 -0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 36.94 2dig s LYS 62 CO 0.15 0.04 -0.15 0.45 -0.92 0.00 0.00 175.35 174.91 2dig s SER 63 N -0.68 1.83 0.52 2.83 0.15 -1.26 -0.63 113.70 116.47 2dig s SER 63 Ca -0.05 -0.62 -0.02 0.00 0.70 0.00 0.00 55.95 55.96 2dig s SER 63 Cb -0.05 -0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 2dig s SER 63 CO -0.00 -0.05 0.78 -0.83 1.20 0.00 0.00 173.24 174.34 2dig s GLY 64 N -1.73 1.61 -0.29 9.45 0.00 -1.26 -5.02 107.32 110.09 2dig s GLY 64 Ca -0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 44.72 43.49 2dig s GLY 64 CO 0.03 -0.71 1.66 2.56 0.00 0.00 0.00 173.10 176.63 2dig s PRO 65 N -4.77 3.60 -0.41 2.90 0.04 -1.26 -4.97 135.00 130.13 2dig s PRO 65 Ca 0.52 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 2dig s PRO 65 Cb -0.10 -4.09 0.02 0.00 0.04 0.00 0.00 34.50 30.36 2dig s PRO 65 CO 0.41 -1.54 0.74 -1.54 0.04 0.00 0.00 177.00 175.11 2dig s SER 66 N 4.88 6.43 -0.30 6.66 1.04 -1.26 -4.98 113.70 126.17 2dig s SER 66 Ca 0.73 0.01 -0.16 0.00 0.48 0.00 0.00 55.95 57.02 2dig s SER 66 Cb -0.22 -2.37 0.17 0.00 0.10 0.00 0.00 66.02 63.70 2dig s SER 66 CO 0.31 -0.79 1.04 -0.55 0.98 0.00 0.00 173.24 174.23 2dig s SER 67 N 1.98 -0.47 0.00 7.02 0.15 -1.26 -5.34 113.70 115.78 2dig s SER 67 Ca 0.28 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2dig s SER 67 Cb -0.13 1.50 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 2dig s SER 67 CO 0.19 -0.09 0.44 0.61 1.20 0.00 0.00 173.24 175.59