#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dig n SER 2 N 0.00 -1.52 -3.71 1.61 7.64 -1.26 -4.98 113.62 111.40 2dig n SER 2 Ca 0.00 -0.90 -0.14 0.00 1.01 0.00 0.00 58.87 58.84 2dig n SER 2 Cb 0.00 -3.68 -0.09 0.00 -1.01 0.00 0.00 64.21 59.44 2dig n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dig s SER 3 N -4.23 -0.38 0.00 6.43 0.15 -1.26 -5.01 113.70 109.40 2dig s SER 3 Ca 0.07 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2dig s SER 3 Cb -0.02 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2dig s SER 3 CO 0.84 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2dig n GLY 4 N 1.96 2.39 3.54 9.45 0.00 -1.26 -5.06 105.19 116.22 2dig n GLY 4 Ca -0.17 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 2dig n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dig s SER 5 N 0.00 6.17 -0.16 1.61 0.01 -1.26 -4.95 113.70 115.12 2dig s SER 5 Ca 0.00 -0.51 -0.08 0.00 1.31 0.00 0.00 55.95 56.68 2dig s SER 5 Cb 0.00 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.74 2dig s SER 5 CO 0.00 -1.81 0.37 -0.44 0.41 0.00 0.00 173.24 171.77 2dig s SER 6 N 3.77 -0.34 0.04 2.44 0.01 -1.26 -5.06 113.70 113.30 2dig s SER 6 Ca 0.34 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2dig s SER 6 Cb -0.08 0.82 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2dig s SER 6 CO 0.14 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2dig n GLY 7 N 4.59 0.95 3.52 3.44 0.00 -1.26 -4.93 105.19 111.50 2dig n GLY 7 Ca -0.19 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2dig n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dig s MET 8 N 0.00 1.93 -0.57 1.61 1.00 -1.26 -5.07 119.30 116.94 2dig s MET 8 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 55.69 54.32 2dig s MET 8 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 34.83 32.62 2dig s MET 8 CO 0.00 0.50 1.84 -1.25 0.00 0.00 0.00 175.02 176.10 2dig s PRO 9 N -2.10 2.75 -0.00 2.03 0.04 -1.26 -4.95 135.00 131.51 2dig s PRO 9 Ca 0.19 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2dig s PRO 9 Cb -0.11 -4.35 -0.06 0.00 0.04 0.00 0.00 34.50 30.02 2dig s PRO 9 CO 0.11 -2.59 1.55 -1.54 0.04 0.00 0.00 177.00 174.57 2dig s SER 10 N 7.70 6.73 -0.18 6.66 1.04 -1.26 -4.99 113.70 129.39 2dig s SER 10 Ca 0.68 2.24 -0.11 0.00 0.48 0.00 0.00 55.95 59.24 2dig s SER 10 Cb -0.14 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.38 2dig s SER 10 CO 0.23 -0.83 0.20 -0.60 0.98 0.00 0.00 173.24 173.21 2dig s ARG 11 N 3.01 4.18 0.29 4.02 3.52 -1.26 -4.96 118.95 127.75 2dig s ARG 11 Ca 0.69 -0.09 0.18 0.00 -0.13 0.00 0.00 55.73 56.39 2dig s ARG 11 Cb -0.34 -3.41 1.03 0.00 -1.56 0.00 0.00 34.95 30.67 2dig s ARG 11 CO 0.29 0.30 1.15 1.17 -0.81 0.00 0.00 175.30 177.40 2dig n LYS 12 N 3.45 -0.04 -4.21 5.12 4.81 -1.26 -4.28 118.16 121.75 2dig n LYS 12 Ca -0.15 0.98 -0.17 0.00 -0.87 0.00 0.00 58.31 58.10 2dig n LYS 12 Cb 0.52 -1.81 -0.11 0.00 0.02 0.00 0.00 35.03 33.65 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 -5.00 1.25 0.42 5.64 0.08 -1.26 -5.09 117.98 114.02 2dig s PHE 13 Ca -0.06 -0.58 0.08 0.00 0.12 0.00 0.00 56.93 56.49 2dig s PHE 13 Cb 0.24 -0.67 -0.00 0.00 -0.57 0.00 0.00 43.02 42.02 2dig s PHE 13 CO 0.58 0.08 0.50 0.00 -0.10 0.00 0.00 175.22 176.28 2dig s ALA 14 N -2.13 4.35 -0.08 5.36 0.00 -1.26 -5.07 121.76 122.93 2dig s ALA 14 Ca 0.06 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 2dig s ALA 14 Cb -0.05 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2dig s ALA 14 CO 0.02 -0.27 1.16 0.16 0.00 0.00 0.00 175.76 176.82 2dig s ASP 15 N -4.27 7.09 0.00 0.00 -4.77 -1.26 -3.20 116.67 110.26 2dig s ASP 15 Ca 0.52 1.73 0.00 0.00 -3.30 0.00 0.00 52.55 51.51 2dig s ASP 15 Cb -0.07 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 2dig s ASP 15 CO 0.31 -0.56 0.00 0.61 0.70 0.00 0.00 175.17 176.23 2dig n GLY 16 N 3.31 2.89 3.52 2.12 0.00 -0.09 -4.98 105.19 111.97 2dig n GLY 16 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 2dig n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dig n GLU 17 N -0.12 0.90 -3.30 1.61 4.07 -1.19 -4.25 120.64 118.35 2dig n GLU 17 Ca 0.00 0.32 -0.44 0.00 -0.06 0.00 0.00 57.16 56.97 2dig n GLU 17 Cb 0.00 -1.59 -0.07 0.00 -0.06 0.00 0.00 31.44 29.72 2dig n GLU 17 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2dig s VAL 18 N -1.11 5.09 0.47 6.31 1.01 -1.26 -1.63 120.40 129.28 2dig s VAL 18 Ca 0.61 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2dig s VAL 18 Cb -0.74 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.41 2dig s VAL 18 CO 0.59 -0.67 0.04 0.68 0.00 0.00 0.00 175.10 175.74 2dig s VAL 19 N 2.03 1.54 -0.28 2.92 -7.23 -0.23 -4.91 120.40 114.22 2dig s VAL 19 Ca 0.08 -1.95 -0.14 0.00 -1.81 0.00 0.00 61.98 58.17 2dig s VAL 19 Cb -0.22 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2dig s VAL 19 CO 0.09 0.00 0.31 -0.13 -0.31 0.00 0.00 175.10 175.06 2dig s ARG 20 N -3.85 3.94 -0.04 4.82 1.81 0.16 -0.61 118.95 125.19 2dig s ARG 20 Ca 0.19 -0.13 0.02 0.00 -1.72 0.00 0.00 55.73 54.09 2dig s ARG 20 Cb 0.04 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.84 2dig s ARG 20 CO 0.10 -0.27 -0.06 0.20 -0.68 0.00 0.00 175.30 174.58 2dig s GLY 21 N 1.69 1.73 -0.58 -3.53 0.00 0.29 -0.53 107.32 106.39 2dig s GLY 21 Ca 0.12 -0.94 -0.22 0.00 0.00 0.00 0.00 44.72 43.68 2dig s GLY 21 CO 0.10 -0.75 0.84 -1.60 0.00 0.00 0.00 173.10 171.69 2dig s ARG 22 N -1.07 3.17 0.38 2.90 3.52 -1.18 -0.30 118.95 126.37 2dig s ARG 22 Ca 0.14 -0.73 -0.27 0.00 -0.13 0.00 0.00 55.73 54.75 2dig s ARG 22 Cb -0.11 -4.14 -0.11 0.00 -1.56 0.00 0.00 34.95 29.02 2dig s ARG 22 CO 0.04 -1.53 1.33 1.87 -0.81 0.00 0.00 175.30 176.21 2dig n TRP 23 N 7.07 2.41 -2.10 5.12 -0.00 -1.01 -4.86 117.44 124.07 2dig n TRP 23 Ca -0.03 0.51 -0.43 0.00 -0.00 0.00 0.00 57.50 57.54 2dig n TRP 23 Cb 0.46 -2.43 -0.03 0.00 -0.00 0.00 0.00 31.31 29.31 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 -2.06 3.66 0.00 5.87 0.04 -1.26 -2.44 135.00 138.81 2dig s PRO 24 Ca 0.57 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2dig s PRO 24 Cb -0.52 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 29.94 2dig s PRO 24 CO 0.61 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2dig n GLY 25 N 4.89 2.86 0.17 0.56 0.00 -1.26 -4.83 105.19 107.58 2dig n GLY 25 Ca 0.20 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 0.67 0.00 -4.70 1.61 0.87 -1.91 -3.47 113.55 106.61 2dig h SER 26 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 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 0.26 -0.46 -1.54 -0.53 0.00 0.00 176.83 174.55 2dig n SER 27 N -3.11 -4.05 -4.06 6.23 3.41 -1.02 -4.94 113.62 106.07 2dig n SER 27 Ca 0.02 -0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.27 2dig n SER 27 Cb 0.64 -3.37 -0.16 0.00 -0.26 0.00 0.00 64.21 61.06 2dig n SER 27 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dig s LEU 28 N -6.16 1.87 -0.13 1.04 1.43 -1.26 -4.98 118.68 110.49 2dig s LEU 28 Ca 0.23 -0.24 -0.28 0.00 -1.03 0.00 0.00 54.13 52.81 2dig s LEU 28 Cb -0.12 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 2dig s LEU 28 CO 0.28 0.11 0.94 -0.31 0.23 0.00 0.00 176.35 177.60 2dig s TYR 29 N 0.04 3.48 0.28 0.29 2.02 -1.26 -2.41 117.35 119.80 2dig s TYR 29 Ca -0.01 1.46 0.09 0.00 -0.37 0.00 0.00 57.07 58.24 2dig s TYR 29 Cb -0.09 -3.12 -0.06 0.00 -0.40 0.00 0.00 41.96 38.30 2dig s TYR 29 CO 0.01 -0.23 -0.12 0.71 -1.57 0.00 0.00 175.55 174.35 2dig s TYR 30 N 2.06 2.12 -0.46 2.71 2.02 0.59 -4.84 117.35 121.54 2dig s TYR 30 Ca 0.44 -0.53 -0.28 0.00 -0.37 0.00 0.00 57.07 56.33 2dig s TYR 30 Cb -0.18 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.29 2dig s TYR 30 CO 0.16 0.49 1.55 -2.00 -1.57 0.00 0.00 175.55 174.18 2dig s GLU 31 N -3.62 3.32 0.22 -0.62 2.12 -1.26 -0.55 118.70 118.31 2dig s GLU 31 Ca 0.29 0.86 0.08 0.00 0.36 0.00 0.00 54.97 56.55 2dig s GLU 31 Cb 0.00 -4.14 -0.05 0.00 0.26 0.00 0.00 34.13 30.21 2dig s GLU 31 CO 0.13 -1.89 -0.12 0.14 -0.54 0.00 0.00 175.26 172.98 2dig s VAL 32 N 6.39 1.73 0.07 3.70 -7.23 0.22 -4.42 120.40 120.86 2dig s VAL 32 Ca 0.63 -2.20 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2dig s VAL 32 Cb -0.15 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 2dig s VAL 32 CO 0.29 -0.52 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.85 2dig s GLU 33 N -3.66 2.52 -0.17 4.82 2.12 -0.57 -1.07 118.70 122.68 2dig s GLU 33 Ca 0.24 -0.83 -0.26 0.00 0.36 0.00 0.00 54.97 54.49 2dig s GLU 33 Cb 0.00 -2.52 -0.01 0.00 0.26 0.00 0.00 34.13 31.86 2dig s GLU 33 CO 0.08 0.55 0.87 0.42 -0.54 0.00 0.00 175.26 176.65 2dig s ILE 34 N -1.25 4.85 -0.16 -3.70 -1.09 -0.65 -1.03 121.20 118.17 2dig s ILE 34 Ca 0.24 1.72 -0.10 0.00 -2.23 0.00 0.00 60.65 60.28 2dig s ILE 34 Cb -0.12 -4.17 -0.07 0.00 -1.58 0.00 0.00 42.46 36.52 2dig s ILE 34 CO 0.16 -0.01 -0.24 0.18 -1.23 0.00 0.00 174.94 173.81 2dig n LEU 35 N 5.38 1.37 -4.03 2.97 4.77 0.54 -0.91 117.00 127.08 2dig n LEU 35 Ca 0.06 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 2dig n LEU 35 Cb 0.48 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 2dig n LEU 35 CO 0.49 0.21 0.13 -0.55 -1.33 0.00 0.00 177.39 176.35 2dig s SER 36 N -6.51 0.15 -0.16 -1.43 0.15 -0.71 -4.86 113.70 100.33 2dig s SER 36 Ca -0.24 -1.11 -0.04 0.00 0.70 0.00 0.00 55.95 55.26 2dig s SER 36 Cb 0.08 0.59 0.06 0.00 -1.71 0.00 0.00 66.02 65.05 2dig s SER 36 CO 0.31 -1.16 0.13 -2.28 1.20 0.00 0.00 173.24 171.45 2dig s HIS 37 N -3.78 0.02 -0.23 3.44 2.46 -1.26 -0.44 115.29 115.50 2dig s HIS 37 Ca 0.26 -0.02 -0.20 0.00 0.47 0.00 0.00 55.06 55.57 2dig s HIS 37 Cb 0.00 -0.54 -0.02 0.00 -0.13 0.00 0.00 32.58 31.89 2dig s HIS 37 CO 0.12 -0.48 0.60 -0.51 -2.47 0.00 0.00 174.74 172.00 2dig s ASP 38 N 2.21 6.59 0.08 9.88 1.11 0.92 -4.95 116.67 132.52 2dig s ASP 38 Ca 0.04 0.72 -0.04 0.00 0.18 0.00 0.00 52.55 53.45 2dig s ASP 38 Cb -0.15 -2.33 -0.28 0.00 1.07 0.00 0.00 42.92 41.23 2dig s ASP 38 CO -0.09 -0.30 1.15 -1.28 1.18 0.00 0.00 175.17 175.83 2dig h SER 39 N 7.72 0.40 -0.83 0.27 0.87 -1.93 0.48 113.55 120.52 2dig h SER 39 Ca -0.29 -0.43 0.13 0.00 -1.23 0.00 0.00 61.79 59.97 2dig h SER 39 Cb 1.14 -0.13 -0.14 0.00 -0.44 0.00 0.00 62.40 62.83 2dig h SER 39 CO 0.76 1.33 -0.37 0.74 -0.53 0.00 0.00 176.83 178.76 2dig h THR 40 N 0.07 0.07 0.00 2.23 2.02 -1.95 -2.26 112.91 113.09 2dig h THR 40 Ca -0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2dig h THR 40 Cb 1.96 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 2dig h THR 40 CO 0.20 0.00 -0.22 -1.20 0.37 0.00 0.00 175.52 174.67 2dig n SER 41 N -5.45 1.97 -3.47 4.18 7.64 -1.25 -4.97 113.62 112.26 2dig n SER 41 Ca 0.07 -3.25 -0.24 0.00 1.01 0.00 0.00 58.87 56.47 2dig n SER 41 Cb 0.38 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.19 -2.77 -3.49 1.43 1.13 -0.16 -4.90 117.38 107.43 2dig n GLN 42 Ca 0.16 0.33 -0.39 0.00 -1.94 0.00 0.00 57.00 55.16 2dig n GLN 42 Cb 0.68 -4.98 -0.10 0.00 0.11 0.00 0.00 30.24 25.95 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 -6.41 4.03 -0.08 1.08 1.43 -0.02 -2.77 118.68 115.94 2dig s LEU 43 Ca 0.43 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.51 2dig s LEU 43 Cb -0.24 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2dig s LEU 43 CO 0.52 -0.11 0.39 -0.31 0.23 0.00 0.00 176.35 177.07 2dig s TYR 44 N 1.90 3.60 -0.49 0.29 1.51 0.51 -0.05 117.35 124.62 2dig s TYR 44 Ca 0.11 0.85 -0.18 0.00 -1.01 0.00 0.00 57.07 56.83 2dig s TYR 44 Cb -0.16 -2.36 0.06 0.00 -0.11 0.00 0.00 41.96 39.39 2dig s TYR 44 CO 0.10 0.41 0.55 0.99 -1.11 0.00 0.00 175.55 176.50 2dig s THR 45 N -0.21 4.98 0.26 -0.71 2.01 0.41 -0.74 115.64 121.64 2dig s THR 45 Ca 0.22 -0.59 0.09 0.00 0.31 0.00 0.00 61.69 61.73 2dig s THR 45 Cb -0.15 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2dig s THR 45 CO 0.10 -0.71 0.02 0.68 -0.69 0.00 0.00 174.62 174.02 2dig s VAL 46 N 2.36 3.59 -0.05 3.82 -7.23 -1.01 -0.34 120.40 121.54 2dig s VAL 46 Ca 0.12 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 2dig s VAL 46 Cb -0.20 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2dig s VAL 46 CO 0.11 -0.36 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.60 2dig s LYS 47 N -3.68 2.46 0.43 4.82 2.20 -0.19 -2.45 119.74 123.33 2dig s LYS 47 Ca 0.31 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 55.18 2dig s LYS 47 Cb -0.07 -2.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.99 2dig s LYS 47 CO 0.20 0.54 0.61 0.71 -0.36 0.00 0.00 175.35 177.06 2dig s TYR 48 N -0.54 2.95 0.40 4.03 1.51 0.32 -1.51 117.35 124.51 2dig s TYR 48 Ca 0.07 -0.18 0.07 0.00 -1.01 0.00 0.00 57.07 56.03 2dig s TYR 48 Cb -0.11 -2.36 0.84 0.00 -0.11 0.00 0.00 41.96 40.21 2dig s TYR 48 CO 0.01 -0.42 2.03 1.57 -1.11 0.00 0.00 175.55 177.62 2dig h LYS 49 N 0.53 0.59 -1.22 -0.62 5.09 -1.90 -1.40 116.57 117.64 2dig h LYS 49 Ca -0.43 -0.04 -0.12 0.00 0.09 0.00 0.00 60.65 60.15 2dig h LYS 49 Cb 1.27 -0.13 -0.07 0.00 0.10 0.00 0.00 32.23 33.40 2dig h LYS 49 CO 0.50 0.39 0.16 -3.47 -2.09 0.00 0.00 179.45 174.94 2dig n ASP 50 N -4.47 3.93 -3.77 7.07 2.03 -1.26 -4.84 116.55 115.23 2dig n ASP 50 Ca 0.06 -2.45 -0.33 0.00 0.52 0.00 0.00 54.79 52.58 2dig n ASP 50 Cb 0.13 -0.72 0.03 0.00 -0.72 0.00 0.00 41.12 39.84 2dig n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dig n GLY 51 N 0.38 -1.01 3.01 0.27 0.00 -0.53 -4.98 105.19 102.32 2dig n GLY 51 Ca 0.13 0.45 -0.23 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.38 1.00 -0.13 2.61 2.01 -1.24 -4.91 115.64 111.60 2dig s THR 52 Ca 0.39 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 2dig s THR 52 Cb -0.17 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2dig s THR 52 CO 0.89 0.32 -0.03 -1.61 -0.69 0.00 0.00 174.62 173.50 2dig s GLU 53 N 0.58 3.46 0.22 4.92 2.02 -1.26 -0.52 118.70 128.12 2dig s GLU 53 Ca -0.12 -0.49 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 2dig s GLU 53 Cb -0.14 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 2dig s GLU 53 CO 0.03 0.37 0.20 -0.51 0.02 0.00 0.00 175.26 175.37 2dig s LEU 54 N 0.01 1.04 -0.32 1.80 1.43 -1.03 -5.00 118.68 116.61 2dig s LEU 54 Ca 0.01 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 51.76 2dig s LEU 54 Cb -0.13 0.65 0.07 0.00 0.03 0.00 0.00 46.19 46.80 2dig s LEU 54 CO 0.02 -0.91 0.04 -1.61 0.23 0.00 0.00 176.35 174.12 2dig s GLU 55 N -4.08 2.26 -0.10 1.70 2.02 -1.26 -2.41 118.70 116.83 2dig s GLU 55 Ca 0.36 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.92 2dig s GLU 55 Cb 0.05 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 2dig s GLU 55 CO 0.12 -0.74 -0.11 -0.51 0.02 0.00 0.00 175.26 174.05 2dig s LEU 56 N 1.20 2.88 0.85 1.80 1.43 0.09 -4.79 118.68 122.14 2dig s LEU 56 Ca -0.01 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2dig s LEU 56 Cb -0.20 -1.64 0.10 0.00 0.03 0.00 0.00 46.19 44.48 2dig s LEU 56 CO -0.02 0.24 1.15 0.29 0.23 0.00 0.00 176.35 178.24 2dig n LYS 57 N 3.02 -0.06 -0.11 1.70 4.76 -1.26 -0.37 118.16 125.84 2dig n LYS 57 Ca -0.18 0.06 0.21 0.00 -2.87 0.00 0.00 58.31 55.54 2dig n LYS 57 Cb 0.53 -2.39 0.63 0.00 -1.84 0.00 0.00 35.03 31.96 2dig n LYS 57 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2dig h GLU 58 N -1.26 0.14 0.08 1.97 4.81 -1.88 -0.61 114.58 117.83 2dig h GLU 58 Ca -0.45 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.54 2dig h GLU 58 Cb 1.29 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.66 2dig h GLU 58 CO 0.44 0.09 -0.95 -0.97 -0.73 0.00 0.00 179.01 176.89 2dig h ASN 59 N 0.14 0.70 -0.41 1.04 -0.00 -1.90 -3.23 115.58 111.92 2dig h ASN 59 Ca 0.35 -0.82 0.11 0.00 -0.00 0.00 0.00 56.30 55.94 2dig h ASN 59 Cb 1.17 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 39.26 2dig h ASN 59 CO -0.05 1.45 0.29 0.44 -0.00 0.00 0.00 177.43 179.56 2dig h ASP 60 N 0.04 0.02 -3.30 1.15 5.19 -1.45 -3.40 116.42 114.68 2dig h ASP 60 Ca -0.14 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.70 2dig h ASP 60 Cb 1.67 -0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.12 2dig h ASP 60 CO 0.18 0.01 -0.02 -0.63 -3.12 0.00 0.00 179.24 175.67 2dig s ILE 61 N -5.05 4.91 0.04 0.35 1.01 -0.90 -3.13 121.20 118.42 2dig s ILE 61 Ca -0.05 1.23 0.01 0.00 0.00 0.00 0.00 60.65 61.84 2dig s ILE 61 Cb 0.19 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2dig s ILE 61 CO 0.72 0.42 -0.05 -0.54 0.00 0.00 0.00 174.94 175.50 2dig s LYS 62 N -0.22 0.45 0.29 2.79 1.02 0.31 -4.94 119.74 119.44 2dig s LYS 62 Ca 0.31 -0.79 0.08 0.00 0.02 0.00 0.00 55.97 55.58 2dig s LYS 62 Cb -0.18 -0.01 -0.06 0.00 -0.52 0.00 0.00 37.83 37.06 2dig s LYS 62 CO 0.17 -0.03 -0.09 -1.54 -0.92 0.00 0.00 175.35 172.94 2dig s SER 63 N -1.82 3.07 0.00 2.83 1.04 -1.26 0.40 113.70 117.95 2dig s SER 63 Ca -0.09 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.18 2dig s SER 63 Cb -0.06 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2dig s SER 63 CO -0.02 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2dig n GLY 64 N -0.62 6.96 3.75 7.32 0.00 -1.26 -4.98 105.19 116.36 2dig n GLY 64 Ca -0.06 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2dig n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dig s PRO 65 N 1.16 4.44 0.33 1.61 0.04 -1.26 -5.00 135.00 136.31 2dig s PRO 65 Ca 0.00 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 2dig s PRO 65 Cb 0.00 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 2dig s PRO 65 CO 0.00 -0.12 1.06 -1.54 0.04 0.00 0.00 177.00 176.44 2dig s SER 66 N -0.22 7.10 -0.01 6.66 1.04 -1.26 -5.06 113.70 121.96 2dig s SER 66 Ca 0.51 2.14 0.01 0.00 0.48 0.00 0.00 55.95 59.09 2dig s SER 66 Cb -0.36 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.15 2dig s SER 66 CO 0.44 -0.25 -0.02 -0.94 0.98 0.00 0.00 173.24 173.44 2dig s SER 67 N -1.20 0.34 0.00 7.02 1.04 -1.26 -5.34 113.70 114.30 2dig s SER 67 Ca 0.50 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2dig s SER 67 Cb -0.27 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2dig s SER 67 CO 0.34 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.18