#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 7.51 -0.19 1.61 0.15 -1.26 -4.96 113.70 116.56 2dig s SER 2 Ca 0.00 1.82 -0.31 0.00 0.70 0.00 0.00 55.95 58.16 2dig s SER 2 Cb 0.00 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.64 2dig s SER 2 CO 0.00 -0.05 2.13 -0.24 1.20 0.00 0.00 173.24 176.29 2dig n SER 3 N 2.64 3.17 0.00 5.45 2.88 -1.26 -4.08 113.62 122.43 2dig n SER 3 Ca 0.02 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2dig n SER 3 Cb 0.49 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2dig n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dig n GLY 4 N 5.57 0.05 3.50 0.46 0.00 -1.26 -5.16 105.19 108.35 2dig n GLY 4 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 2dig n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dig s SER 5 N -0.08 -0.67 0.02 1.61 0.15 -1.26 -5.09 113.70 108.38 2dig s SER 5 Ca 0.00 0.95 -0.01 0.00 0.70 0.00 0.00 55.95 57.59 2dig s SER 5 Cb 0.00 1.66 -0.00 0.00 -1.71 0.00 0.00 66.02 65.97 2dig s SER 5 CO 0.00 -0.14 -0.02 -1.54 1.20 0.00 0.00 173.24 172.74 2dig n SER 6 N 4.77 0.47 0.00 5.45 3.41 -1.26 -4.94 113.62 121.52 2dig n SER 6 Ca -0.12 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2dig n SER 6 Cb 0.53 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2dig n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dig n GLY 7 N 3.12 -2.11 2.90 5.00 0.00 -1.26 -5.15 105.19 107.70 2dig n GLY 7 Ca -0.01 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 2dig n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dig s MET 8 N -0.49 0.15 0.00 1.61 -2.45 -1.26 -5.02 119.30 111.84 2dig s MET 8 Ca 0.00 -0.10 0.11 0.00 -1.25 0.00 0.00 55.69 54.45 2dig s MET 8 Cb 0.00 -0.12 0.66 0.00 1.25 0.00 0.00 34.83 36.61 2dig s MET 8 CO 0.00 0.03 1.09 -0.35 1.05 0.00 0.00 175.02 176.84 2dig n PRO 9 N 2.94 0.49 -0.26 4.11 -0.04 -1.26 -4.07 135.00 136.91 2dig n PRO 9 Ca -0.13 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.39 2dig n PRO 9 Cb 0.59 -1.35 0.12 0.00 -0.04 0.00 0.00 33.50 32.82 2dig n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dig n SER 10 N -0.85 -0.22 -3.74 3.54 3.41 -1.26 -4.49 113.62 110.01 2dig n SER 10 Ca 0.08 1.23 -0.14 0.00 -0.26 0.00 0.00 58.87 59.79 2dig n SER 10 Cb 0.04 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 2dig n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dig s ARG 11 N -5.85 0.69 0.32 4.33 1.70 -1.26 -5.04 118.95 113.83 2dig s ARG 11 Ca -0.10 -0.10 -0.00 0.00 -0.47 0.00 0.00 55.73 55.06 2dig s ARG 11 Cb 0.20 0.31 0.51 0.00 -0.57 0.00 0.00 34.95 35.40 2dig s ARG 11 CO 0.56 -0.19 1.95 -0.22 -1.08 0.00 0.00 175.30 176.33 2dig h LYS 12 N 3.92 0.91 -4.89 3.89 3.64 -1.92 -3.38 116.57 118.74 2dig h LYS 12 Ca -0.29 -0.09 -0.67 0.00 -1.27 0.00 0.00 60.65 58.33 2dig h LYS 12 Cb 1.17 -0.19 -0.36 0.00 -0.41 0.00 0.00 32.23 32.44 2dig h LYS 12 CO 0.39 0.66 -0.80 -0.06 -2.27 0.00 0.00 179.45 177.37 2dig s PHE 13 N -5.66 3.21 0.69 1.91 0.08 -1.26 -5.11 117.98 111.84 2dig s PHE 13 Ca -0.10 -2.20 -0.17 0.00 0.12 0.00 0.00 56.93 54.58 2dig s PHE 13 Cb 0.17 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 2dig s PHE 13 CO 0.78 -0.86 1.26 0.00 -0.10 0.00 0.00 175.22 176.30 2dig s ALA 14 N 1.14 2.24 0.26 5.36 0.00 -1.26 -4.92 121.76 124.58 2dig s ALA 14 Ca -0.07 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 2dig s ALA 14 Cb -0.19 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.30 2dig s ALA 14 CO -0.06 -1.75 1.51 -0.51 0.00 0.00 0.00 175.76 174.95 2dig s ASP 15 N -1.67 6.53 0.00 0.00 1.01 -1.26 -1.78 116.67 119.50 2dig s ASP 15 Ca 0.79 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.83 2dig s ASP 15 Cb -0.34 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 40.96 2dig s ASP 15 CO 0.42 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.62 2dig n GLY 16 N 2.23 2.45 3.77 0.21 0.00 -0.75 -5.01 105.19 108.10 2dig n GLY 16 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.20 4.02 -0.51 1.61 2.56 -0.74 -4.62 118.70 120.82 2dig s GLU 17 Ca 0.00 2.18 -0.18 0.00 0.00 0.00 0.00 54.97 56.97 2dig s GLU 17 Cb 0.00 -2.80 0.07 0.00 2.00 0.00 0.00 34.13 33.40 2dig s GLU 17 CO 0.00 -0.46 0.56 0.08 -0.56 0.00 0.00 175.26 174.88 2dig s VAL 18 N -1.24 4.99 0.28 3.70 1.01 -1.26 -1.59 120.40 126.29 2dig s VAL 18 Ca 0.56 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2dig s VAL 18 Cb -0.39 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.72 2dig s VAL 18 CO 0.50 -0.78 0.02 1.33 0.00 0.00 0.00 175.10 176.17 2dig n VAL 19 N 5.47 0.00 -4.41 2.92 0.24 0.16 -4.95 118.33 117.77 2dig n VAL 19 Ca -0.09 -1.40 -0.34 0.00 -2.04 0.00 0.00 64.34 60.47 2dig n VAL 19 Cb 0.44 0.33 -0.10 0.00 -1.47 0.00 0.00 33.84 33.04 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 -3.03 3.15 -0.07 7.34 0.52 -0.31 0.07 118.95 126.63 2dig s ARG 20 Ca 0.03 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 2dig s ARG 20 Cb 0.00 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.69 2dig s ARG 20 CO 0.02 0.56 -0.10 0.20 0.02 0.00 0.00 175.30 176.01 2dig s GLY 21 N -0.51 0.73 -0.35 -3.53 0.00 -0.74 -0.37 107.32 102.54 2dig s GLY 21 Ca 0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 44.72 44.16 2dig s GLY 21 CO 0.02 0.30 1.59 -1.60 0.00 0.00 0.00 173.10 173.42 2dig s ARG 22 N 0.89 3.51 0.39 2.90 3.52 -0.96 -2.75 118.95 126.45 2dig s ARG 22 Ca -0.11 1.23 -0.27 0.00 -0.13 0.00 0.00 55.73 56.45 2dig s ARG 22 Cb -0.15 -4.10 -0.10 0.00 -1.56 0.00 0.00 34.95 29.04 2dig s ARG 22 CO 0.01 -1.65 1.45 -0.46 -0.81 0.00 0.00 175.30 173.84 2dig s TRP 23 N 5.99 2.61 -0.42 5.12 -0.11 -1.07 -4.90 118.94 126.16 2dig s TRP 23 Ca 0.70 1.22 -0.28 0.00 1.22 0.00 0.00 56.10 58.97 2dig s TRP 23 Cb -0.19 -3.95 -0.01 0.00 -1.50 0.00 0.00 33.47 27.82 2dig s TRP 23 CO 0.33 -2.84 1.74 -1.25 -4.62 0.00 0.00 176.95 170.31 2dig s PRO 24 N -2.15 3.18 0.00 5.86 0.04 -1.26 -2.74 135.00 137.92 2dig s PRO 24 Ca 0.54 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2dig s PRO 24 Cb -0.45 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2dig s PRO 24 CO 0.60 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 176.00 2dig n GLY 25 N 5.44 2.29 0.18 0.56 0.00 -1.26 -4.89 105.19 107.50 2dig n GLY 25 Ca 0.21 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 1.02 0.77 -0.68 1.61 0.87 -1.91 -3.47 113.55 111.76 2dig h SER 26 Ca 0.00 -0.75 -0.13 0.00 -1.23 0.00 0.00 61.79 59.68 2dig h SER 26 Cb 0.00 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 2dig h SER 26 CO 0.00 1.42 -0.15 -0.24 -0.53 0.00 0.00 176.83 177.34 2dig n SER 27 N -3.99 -2.96 -3.97 6.23 2.88 -1.11 -5.02 113.62 105.68 2dig n SER 27 Ca -0.11 0.05 -0.18 0.00 -1.33 0.00 0.00 58.87 57.31 2dig n SER 27 Cb 0.81 -1.84 -0.15 0.00 -0.75 0.00 0.00 64.21 62.28 2dig n SER 27 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2dig s LEU 28 N -1.68 1.84 -0.08 2.46 1.43 -1.26 -4.99 118.68 116.39 2dig s LEU 28 Ca 0.00 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.70 2dig s LEU 28 Cb 0.00 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 2dig s LEU 28 CO 0.00 0.05 0.87 -0.31 0.23 0.00 0.00 176.35 177.19 2dig s TYR 29 N 0.11 3.55 0.27 0.29 1.51 -1.26 -2.61 117.35 119.19 2dig s TYR 29 Ca -0.01 1.43 0.08 0.00 -1.01 0.00 0.00 57.07 57.57 2dig s TYR 29 Cb -0.06 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 38.72 2dig s TYR 29 CO -0.00 -0.08 -0.11 0.71 -1.11 0.00 0.00 175.55 174.95 2dig s TYR 30 N 1.43 2.00 -0.29 2.71 2.02 -1.11 -4.87 117.35 119.25 2dig s TYR 30 Ca 0.44 -0.57 -0.28 0.00 -0.37 0.00 0.00 57.07 56.28 2dig s TYR 30 Cb -0.18 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 2dig s TYR 30 CO 0.19 0.42 1.87 -2.00 -1.57 0.00 0.00 175.55 174.46 2dig s GLU 31 N -3.65 3.35 0.09 -0.62 2.12 -1.26 -1.79 118.70 116.93 2dig s GLU 31 Ca 0.28 1.59 0.05 0.00 0.36 0.00 0.00 54.97 57.24 2dig s GLU 31 Cb 0.01 -4.22 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 2dig s GLU 31 CO 0.12 -1.84 -0.12 0.14 -0.54 0.00 0.00 175.26 173.01 2dig s VAL 32 N 6.99 1.08 0.17 3.70 -7.23 0.11 -4.18 120.40 121.04 2dig s VAL 32 Ca 0.84 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 2dig s VAL 32 Cb -0.25 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2dig s VAL 32 CO 0.34 -0.40 0.20 -0.70 -0.31 0.00 0.00 175.10 174.24 2dig s GLU 33 N -2.33 3.11 -0.27 4.82 2.12 -0.77 -0.66 118.70 124.72 2dig s GLU 33 Ca 0.03 -0.79 -0.18 0.00 0.36 0.00 0.00 54.97 54.38 2dig s GLU 33 Cb -0.06 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 2dig s GLU 33 CO 0.02 0.49 0.54 0.42 -0.54 0.00 0.00 175.26 176.18 2dig s ILE 34 N -1.80 5.04 -0.24 -3.70 -1.09 -0.62 -1.51 121.20 117.29 2dig s ILE 34 Ca 0.32 0.88 -0.16 0.00 -2.23 0.00 0.00 60.65 59.47 2dig s ILE 34 Cb -0.10 -3.86 -0.12 0.00 -1.58 0.00 0.00 42.46 36.79 2dig s ILE 34 CO 0.25 0.04 -0.19 0.18 -1.23 0.00 0.00 174.94 174.00 2dig n LEU 35 N 5.60 1.92 0.00 2.97 4.77 0.91 -1.81 117.00 131.36 2dig n LEU 35 Ca -0.03 0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 56.25 2dig n LEU 35 Cb 0.49 -0.85 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 2dig n LEU 35 CO 0.41 0.29 0.32 -1.20 -1.33 0.00 0.00 177.39 175.88 2dig n SER 36 N -4.36 -1.52 -3.74 -1.43 7.64 -1.01 -4.81 113.62 104.40 2dig n SER 36 Ca -0.39 -2.27 -0.13 0.00 1.01 0.00 0.00 58.87 57.08 2dig n SER 36 Cb 0.73 2.59 -0.14 0.00 -1.01 0.00 0.00 64.21 66.38 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 -3.74 -0.20 -0.38 1.43 2.46 -1.26 -1.27 115.29 112.32 2dig s HIS 37 Ca 0.15 0.56 -0.08 0.00 0.47 0.00 0.00 55.06 56.16 2dig s HIS 37 Cb -0.03 -0.06 0.05 0.00 -0.13 0.00 0.00 32.58 32.41 2dig s HIS 37 CO 0.11 -0.19 0.19 -0.51 -2.47 0.00 0.00 174.74 171.87 2dig s ASP 38 N 1.25 5.53 0.39 9.88 1.11 0.54 -4.95 116.67 130.42 2dig s ASP 38 Ca -0.09 -1.28 0.12 0.00 0.18 0.00 0.00 52.55 51.48 2dig s ASP 38 Cb -0.11 -1.95 0.79 0.00 1.07 0.00 0.00 42.92 42.72 2dig s ASP 38 CO -0.07 -0.43 1.88 -1.28 1.18 0.00 0.00 175.17 176.46 2dig h SER 39 N 8.33 0.08 -0.77 0.27 0.87 -1.93 0.40 113.55 120.79 2dig h SER 39 Ca -0.23 -0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.44 2dig h SER 39 Cb 1.09 -0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 62.89 2dig h SER 39 CO 0.68 0.34 -0.34 0.74 -0.53 0.00 0.00 176.83 177.73 2dig h THR 40 N 0.07 0.11 0.00 2.23 2.02 -1.95 -2.48 112.91 112.91 2dig h THR 40 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2dig h THR 40 Cb 0.51 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2dig h THR 40 CO 0.04 0.00 -0.02 -1.20 0.37 0.00 0.00 175.52 174.70 2dig n SER 41 N -5.46 2.05 -2.31 4.18 7.64 -1.18 -4.97 113.62 113.57 2dig n SER 41 Ca 0.08 -2.61 -0.14 0.00 1.01 0.00 0.00 58.87 57.20 2dig n SER 41 Cb 0.38 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 2dig n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dig n GLN 42 N -1.01 -2.00 -3.40 1.43 1.13 0.13 -4.93 117.38 108.72 2dig n GLN 42 Ca 0.09 0.71 -0.37 0.00 -1.94 0.00 0.00 57.00 55.49 2dig n GLN 42 Cb 0.51 -5.29 -0.07 0.00 0.11 0.00 0.00 30.24 25.51 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 -5.49 4.25 -0.17 1.08 1.43 -0.46 -3.29 118.68 116.03 2dig s LEU 43 Ca 0.00 0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 2dig s LEU 43 Cb 0.00 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 2dig s LEU 43 CO 0.00 0.02 0.17 -0.31 0.23 0.00 0.00 176.35 176.47 2dig s TYR 44 N 0.66 3.46 -0.54 0.29 1.51 0.03 -0.34 117.35 122.42 2dig s TYR 44 Ca 0.22 0.43 -0.22 0.00 -1.01 0.00 0.00 57.07 56.49 2dig s TYR 44 Cb -0.14 -2.16 0.05 0.00 -0.11 0.00 0.00 41.96 39.59 2dig s TYR 44 CO 0.08 0.36 0.80 0.99 -1.11 0.00 0.00 175.55 176.66 2dig s THR 45 N 0.12 4.61 0.25 -0.71 2.01 -0.40 -1.11 115.64 120.41 2dig s THR 45 Ca 0.11 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.09 2dig s THR 45 Cb -0.12 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 2dig s THR 45 CO 0.00 -0.99 0.02 0.68 -0.69 0.00 0.00 174.62 173.65 2dig s VAL 46 N 3.35 3.62 -0.07 3.82 -7.23 -0.90 -0.06 120.40 122.93 2dig s VAL 46 Ca 0.23 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2dig s VAL 46 Cb -0.16 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 33.86 2dig s VAL 46 CO 0.15 -0.33 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.65 2dig s LYS 47 N -3.58 2.41 0.30 4.82 2.20 -0.57 -1.97 119.74 123.36 2dig s LYS 47 Ca 0.31 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 55.09 2dig s LYS 47 Cb -0.07 -1.96 -0.06 0.00 -1.51 0.00 0.00 37.83 34.23 2dig s LYS 47 CO 0.20 0.24 0.59 0.71 -0.36 0.00 0.00 175.35 176.73 2dig s TYR 48 N 0.16 3.47 0.17 4.03 1.51 0.14 -1.85 117.35 124.97 2dig s TYR 48 Ca -0.10 0.75 -0.29 0.00 -1.01 0.00 0.00 57.07 56.42 2dig s TYR 48 Cb -0.15 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 2dig s TYR 48 CO 0.05 0.14 1.54 -0.22 -1.11 0.00 0.00 175.55 175.95 2dig h LYS 49 N 1.75 -0.02 -1.22 -0.62 3.64 -1.91 0.93 116.57 119.12 2dig h LYS 49 Ca -0.47 0.00 0.39 0.00 -1.27 0.00 0.00 60.65 59.30 2dig h LYS 49 Cb 1.19 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 2dig h LYS 49 CO 0.66 -0.02 0.78 0.38 -2.27 0.00 0.00 179.45 178.99 2dig h ASP 50 N -0.02 0.31 0.00 4.20 2.03 -1.95 -3.44 116.42 117.54 2dig h ASP 50 Ca 0.18 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 2dig h ASP 50 Cb 0.45 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2dig h ASP 50 CO -0.93 -0.13 0.00 0.61 -1.03 0.00 0.00 179.24 177.76 2dig n GLY 51 N -1.48 1.24 3.47 7.15 0.00 0.32 -5.13 105.19 110.76 2dig n GLY 51 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 3.45 -0.18 2.61 2.01 -1.20 -4.87 115.64 115.46 2dig s THR 52 Ca 0.00 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 2dig s THR 52 Cb 0.00 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2dig s THR 52 CO 0.00 0.54 0.03 -1.61 -0.69 0.00 0.00 174.62 172.89 2dig s GLU 53 N -0.01 3.86 0.26 4.92 2.02 -1.26 -0.68 118.70 127.80 2dig s GLU 53 Ca -0.02 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.58 2dig s GLU 53 Cb -0.14 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 2dig s GLU 53 CO 0.03 0.23 0.15 -0.51 0.02 0.00 0.00 175.26 175.18 2dig s LEU 54 N 0.44 1.49 -0.26 1.80 1.43 -0.83 -4.99 118.68 117.77 2dig s LEU 54 Ca 0.01 -1.48 -0.02 0.00 -1.03 0.00 0.00 54.13 51.60 2dig s LEU 54 Cb -0.13 0.25 0.02 0.00 0.03 0.00 0.00 46.19 46.37 2dig s LEU 54 CO 0.01 -0.85 -0.04 -1.61 0.23 0.00 0.00 176.35 174.09 2dig s GLU 55 N -3.95 2.88 -0.09 1.70 2.02 -1.26 -2.11 118.70 117.90 2dig s GLU 55 Ca 0.38 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.45 2dig s GLU 55 Cb 0.06 -3.05 0.01 0.00 0.10 0.00 0.00 34.13 31.25 2dig s GLU 55 CO 0.16 -0.40 -0.20 -0.51 0.02 0.00 0.00 175.26 174.33 2dig s LEU 56 N 1.35 1.92 1.04 1.80 1.43 -0.26 -4.83 118.68 121.14 2dig s LEU 56 Ca 0.01 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 2dig s LEU 56 Cb -0.17 -1.19 0.18 0.00 0.03 0.00 0.00 46.19 45.04 2dig s LEU 56 CO -0.03 0.11 0.86 0.29 0.23 0.00 0.00 176.35 177.80 2dig n LYS 57 N 3.65 -1.33 -0.14 1.70 5.02 -1.26 -0.79 118.16 125.00 2dig n LYS 57 Ca -0.20 -0.34 0.15 0.00 -2.02 0.00 0.00 58.31 55.90 2dig n LYS 57 Cb 0.52 -2.15 0.52 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.17 0.37 -0.03 1.97 4.81 -1.91 -1.61 114.58 116.01 2dig h GLU 58 Ca -0.51 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.59 2dig h GLU 58 Cb 1.31 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.61 2dig h GLU 58 CO 0.43 0.25 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.64 2dig h ASN 59 N 0.38 0.41 -0.27 1.04 4.21 -1.91 -3.15 115.58 116.29 2dig h ASN 59 Ca 0.35 -0.72 0.08 0.00 1.21 0.00 0.00 56.30 57.22 2dig h ASN 59 Cb 0.83 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.90 2dig h ASN 59 CO -0.10 1.07 0.38 0.44 -1.29 0.00 0.00 177.43 177.92 2dig h ASP 60 N -0.21 0.00 -2.98 5.81 5.19 -1.62 -3.39 116.42 119.21 2dig h ASP 60 Ca -0.04 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.74 2dig h ASP 60 Cb 1.10 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.53 2dig h ASP 60 CO 0.08 0.00 -0.39 -0.63 -3.12 0.00 0.00 179.24 175.18 2dig s ILE 61 N -4.49 5.35 0.27 0.35 1.01 -0.97 -2.26 121.20 120.45 2dig s ILE 61 Ca -0.04 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.06 2dig s ILE 61 Cb 0.14 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 2dig s ILE 61 CO 0.48 0.52 0.01 -0.54 0.00 0.00 0.00 174.94 175.41 2dig s LYS 62 N -0.42 1.47 -0.09 2.79 1.02 0.50 -4.93 119.74 120.09 2dig s LYS 62 Ca 0.16 -1.77 -0.12 0.00 0.02 0.00 0.00 55.97 54.26 2dig s LYS 62 Cb -0.13 -0.76 0.03 0.00 -0.52 0.00 0.00 37.83 36.44 2dig s LYS 62 CO 0.05 -0.11 0.30 -1.54 -0.92 0.00 0.00 175.35 173.13 2dig s SER 63 N -3.38 -0.27 0.22 2.83 1.04 -1.26 -1.16 113.70 111.72 2dig s SER 63 Ca 0.31 0.45 -0.05 0.00 0.48 0.00 0.00 55.95 57.14 2dig s SER 63 Cb 0.06 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 2dig s SER 63 CO 0.11 -0.20 0.27 -0.83 0.98 0.00 0.00 173.24 173.57 2dig s GLY 64 N -0.28 1.11 -0.14 7.32 0.00 -1.26 -5.06 107.32 109.01 2dig s GLY 64 Ca -0.04 -1.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 2dig s GLY 64 CO 0.01 -1.10 1.55 2.56 0.00 0.00 0.00 173.10 176.13 2dig s PRO 65 N -4.08 4.05 -0.54 2.90 0.04 -1.26 -4.91 135.00 131.20 2dig s PRO 65 Ca 0.33 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2dig s PRO 65 Cb 0.04 -3.96 0.44 0.00 0.04 0.00 0.00 34.50 31.06 2dig s PRO 65 CO 0.11 -0.98 1.64 0.45 0.04 0.00 0.00 177.00 178.26 2dig n SER 66 N 7.50 6.40 -4.90 6.66 2.88 -1.26 -5.01 113.62 125.89 2dig n SER 66 Ca 0.17 -3.78 -0.32 0.00 -1.33 0.00 0.00 58.87 53.62 2dig n SER 66 Cb 0.44 -0.72 -0.04 0.00 -0.75 0.00 0.00 64.21 63.14 2dig n SER 66 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dig s SER 67 N -2.52 6.28 0.00 -3.46 0.01 -1.26 -5.32 113.70 107.44 2dig s SER 67 Ca 0.56 0.27 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2dig s SER 67 Cb 0.45 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2dig s SER 67 CO -0.07 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.38