#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 6.07 -0.21 1.61 1.04 -1.26 -5.01 113.70 115.95 2dig s SER 2 Ca 0.00 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.63 2dig s SER 2 Cb 0.00 -1.96 -0.19 0.00 0.10 0.00 0.00 66.02 63.97 2dig s SER 2 CO 0.00 0.34 0.05 -0.24 0.98 0.00 0.00 173.24 174.37 2dig n SER 3 N 2.46 1.97 -2.76 7.02 2.88 -1.26 -5.08 113.62 118.86 2dig n SER 3 Ca -0.19 0.26 -0.04 0.00 -1.33 0.00 0.00 58.87 57.57 2dig n SER 3 Cb 0.54 -0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 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 1.67 -3.68 4.01 0.46 0.00 -1.26 -5.02 105.19 101.36 2dig n GLY 4 Ca -0.40 1.21 -0.19 0.00 0.00 0.00 0.00 46.02 46.64 2dig n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dig s SER 5 N -0.58 5.37 0.01 1.61 1.04 -1.26 -5.12 113.70 114.77 2dig s SER 5 Ca -0.19 -0.43 0.07 0.00 0.48 0.00 0.00 55.95 55.89 2dig s SER 5 Cb 0.01 -0.45 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 2dig s SER 5 CO 0.57 -1.04 -0.22 -0.94 0.98 0.00 0.00 173.24 172.59 2dig s SER 6 N -4.46 3.48 0.00 7.02 1.04 -1.26 -5.06 113.70 114.45 2dig s SER 6 Ca 0.58 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2dig s SER 6 Cb -0.09 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.54 2dig s SER 6 CO 0.36 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.48 2dig n GLY 7 N 1.94 -2.78 3.46 7.32 0.00 -1.26 -5.04 105.19 108.82 2dig n GLY 7 Ca -0.16 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.99 2.01 1.12 1.61 1.00 -1.26 -5.14 119.30 117.64 2dig s MET 8 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 55.69 54.48 2dig s MET 8 Cb 0.00 -2.17 0.28 0.00 0.00 0.00 0.00 34.83 32.94 2dig s MET 8 CO 0.00 0.53 0.99 -0.35 0.00 0.00 0.00 175.02 176.19 2dig n PRO 9 N 1.40 -2.95 -4.39 2.03 -0.04 -1.26 -5.07 135.00 124.72 2dig n PRO 9 Ca -0.16 -1.59 -0.25 0.00 -0.04 0.00 0.00 63.50 61.46 2dig n PRO 9 Cb 0.52 -1.48 -0.17 0.00 -0.04 0.00 0.00 33.50 32.33 2dig n PRO 9 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dig s SER 10 N -4.18 1.89 0.31 3.54 1.04 -1.26 -5.13 113.70 109.92 2dig s SER 10 Ca 0.64 -0.30 -0.28 0.00 0.48 0.00 0.00 55.95 56.49 2dig s SER 10 Cb -0.06 -0.84 -0.09 0.00 0.10 0.00 0.00 66.02 65.13 2dig s SER 10 CO 0.49 -0.01 1.13 -0.60 0.98 0.00 0.00 173.24 175.23 2dig s ARG 11 N 0.96 4.49 0.39 4.02 3.52 -1.26 -4.90 118.95 126.16 2dig s ARG 11 Ca -0.09 1.83 0.21 0.00 -0.13 0.00 0.00 55.73 57.55 2dig s ARG 11 Cb -0.15 -3.05 1.23 0.00 -1.56 0.00 0.00 34.95 31.42 2dig s ARG 11 CO 0.00 0.07 1.66 -0.22 -0.81 0.00 0.00 175.30 176.00 2dig h LYS 12 N 3.49 0.22 -6.18 5.12 3.64 -2.00 -3.39 116.57 117.48 2dig h LYS 12 Ca -0.47 -0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.30 2dig h LYS 12 Cb 1.22 -0.05 -0.26 0.00 -0.41 0.00 0.00 32.23 32.73 2dig h LYS 12 CO 0.66 0.15 -0.85 -0.06 -2.27 0.00 0.00 179.45 177.08 2dig s PHE 13 N -5.50 1.88 -0.01 1.91 0.08 -1.26 -5.07 117.98 110.02 2dig s PHE 13 Ca -0.09 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 2dig s PHE 13 Cb 0.29 -1.12 -0.05 0.00 -0.57 0.00 0.00 43.02 41.57 2dig s PHE 13 CO 0.80 0.10 0.33 0.00 -0.10 0.00 0.00 175.22 176.35 2dig s ALA 14 N -0.82 3.76 -0.38 5.36 0.00 -1.26 -5.00 121.76 123.43 2dig s ALA 14 Ca 0.08 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 2dig s ALA 14 Cb -0.09 -2.23 -0.09 0.00 0.00 0.00 0.00 23.12 20.71 2dig s ALA 14 CO 0.02 0.55 2.29 -0.40 0.00 0.00 0.00 175.76 178.22 2dig n ASP 15 N 1.59 2.43 0.00 0.00 5.75 -1.26 -0.14 116.55 124.91 2dig n ASP 15 Ca -0.14 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 2dig n ASP 15 Cb 0.53 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 2dig n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dig n GLY 16 N 6.17 2.57 3.68 6.12 0.00 -0.10 -5.03 105.19 118.59 2dig n GLY 16 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.67 1.70 -3.18 1.61 2.13 0.80 -4.49 120.64 118.54 2dig n GLU 17 Ca 0.00 0.61 -0.44 0.00 0.66 0.00 0.00 57.16 57.98 2dig n GLU 17 Cb 0.00 -2.31 -0.06 0.00 0.27 0.00 0.00 31.44 29.35 2dig n GLU 17 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2dig s VAL 18 N -1.25 4.94 0.35 6.31 1.01 -1.26 -1.66 120.40 128.84 2dig s VAL 18 Ca 0.64 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2dig s VAL 18 Cb -0.50 -4.36 -0.06 0.00 0.00 0.00 0.00 36.38 31.45 2dig s VAL 18 CO 0.56 -0.92 0.06 0.68 0.00 0.00 0.00 175.10 175.47 2dig s VAL 19 N 2.41 1.24 0.03 2.92 -7.23 0.63 -4.90 120.40 115.50 2dig s VAL 19 Ca 0.11 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 2dig s VAL 19 Cb -0.23 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 2dig s VAL 19 CO 0.08 0.00 0.28 -0.13 -0.31 0.00 0.00 175.10 175.02 2dig s ARG 20 N -3.86 3.59 -0.11 4.82 3.00 -1.09 0.72 118.95 126.02 2dig s ARG 20 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 55.73 56.00 2dig s ARG 20 Cb 0.08 -3.05 0.02 0.00 0.00 0.00 0.00 34.95 32.00 2dig s ARG 20 CO 0.15 0.62 -0.11 0.20 0.00 0.00 0.00 175.30 176.17 2dig s GLY 21 N -1.81 0.92 -0.37 -3.53 0.00 -0.82 -1.61 107.32 100.09 2dig s GLY 21 Ca 0.29 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 2dig s GLY 21 CO 0.18 0.56 2.32 -1.60 0.00 0.00 0.00 173.10 174.56 2dig s ARG 22 N 1.40 2.55 0.20 2.90 3.52 0.05 -3.47 118.95 126.11 2dig s ARG 22 Ca 0.00 1.68 -0.29 0.00 -0.13 0.00 0.00 55.73 56.99 2dig s ARG 22 Cb -0.13 -4.49 -0.17 0.00 -1.56 0.00 0.00 34.95 28.60 2dig s ARG 22 CO -0.06 -2.77 0.67 1.87 -0.81 0.00 0.00 175.30 174.20 2dig n TRP 23 N 14.07 -0.03 0.98 5.12 -0.00 -1.18 -4.77 117.44 131.61 2dig n TRP 23 Ca 0.34 0.92 0.07 0.00 -0.00 0.00 0.00 57.50 58.82 2dig n TRP 23 Cb 0.51 -2.03 0.41 0.00 -0.00 0.00 0.00 31.31 30.19 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 1.01 0.49 0.00 5.87 -0.04 -1.26 -2.97 135.00 138.09 2dig n PRO 24 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2dig n PRO 24 Cb 0.25 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.00 3.86 0.55 0.00 -1.26 -5.09 105.19 103.23 2dig n GLY 25 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.95 4.51 -0.23 1.61 0.15 -1.16 -5.05 113.70 110.60 2dig s SER 26 Ca 0.00 -1.31 0.14 0.00 0.70 0.00 0.00 55.95 55.48 2dig s SER 26 Cb 0.00 0.33 0.53 0.00 -1.71 0.00 0.00 66.02 65.17 2dig s SER 26 CO 0.00 -0.99 1.46 -1.54 1.20 0.00 0.00 173.24 173.37 2dig n SER 27 N -1.60 3.44 -4.45 5.45 3.41 -1.26 -4.21 113.62 114.40 2dig n SER 27 Ca -0.05 -3.28 -0.32 0.00 -0.26 0.00 0.00 58.87 54.96 2dig n SER 27 Cb 0.65 -0.59 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.98 2.60 -0.04 1.04 1.43 -1.26 -5.00 118.68 114.47 2dig s LEU 28 Ca 0.44 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.05 2dig s LEU 28 Cb 0.37 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 2dig s LEU 28 CO 0.06 0.32 0.56 -0.31 0.23 0.00 0.00 176.35 177.21 2dig s TYR 29 N -0.76 3.64 0.06 0.29 1.51 -1.26 -3.12 117.35 117.70 2dig s TYR 29 Ca 0.12 1.11 0.09 0.00 -1.01 0.00 0.00 57.07 57.38 2dig s TYR 29 Cb -0.10 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.13 2dig s TYR 29 CO 0.01 0.31 -0.26 0.71 -1.11 0.00 0.00 175.55 175.22 2dig s TYR 30 N 0.01 2.23 -0.05 2.71 2.02 -1.23 -4.87 117.35 118.18 2dig s TYR 30 Ca 0.30 -0.40 -0.33 0.00 -0.37 0.00 0.00 57.07 56.26 2dig s TYR 30 Cb -0.17 -1.31 -0.11 0.00 -0.40 0.00 0.00 41.96 39.96 2dig s TYR 30 CO 0.15 0.15 1.90 -1.91 -1.57 0.00 0.00 175.55 174.28 2dig n GLU 31 N 1.64 2.37 -4.19 -0.62 2.13 -1.26 -1.95 120.64 118.76 2dig n GLU 31 Ca -0.17 0.87 -0.13 0.00 0.66 0.00 0.00 57.16 58.39 2dig n GLU 31 Cb 0.52 -2.75 -0.09 0.00 0.27 0.00 0.00 31.44 29.39 2dig n GLU 31 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2dig s VAL 32 N 4.13 0.00 0.17 6.31 -7.23 0.22 -4.55 120.40 119.46 2dig s VAL 32 Ca 0.91 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 59.23 2dig s VAL 32 Cb -0.62 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 2dig s VAL 32 CO 0.49 0.00 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.44 2dig s GLU 33 N -4.03 1.92 -0.37 4.82 2.12 -0.87 -0.27 118.70 122.03 2dig s GLU 33 Ca 0.38 -1.30 -0.18 0.00 0.36 0.00 0.00 54.97 54.23 2dig s GLU 33 Cb 0.06 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.35 2dig s GLU 33 CO 0.14 0.44 0.52 0.42 -0.54 0.00 0.00 175.26 176.23 2dig s ILE 34 N -1.61 5.01 -0.21 -3.70 -1.09 -0.66 -1.91 121.20 117.03 2dig s ILE 34 Ca 0.23 0.24 -0.20 0.00 -2.23 0.00 0.00 60.65 58.69 2dig s ILE 34 Cb -0.09 -3.99 -0.17 0.00 -1.58 0.00 0.00 42.46 36.63 2dig s ILE 34 CO 0.13 -0.27 0.13 0.18 -1.23 0.00 0.00 174.94 173.88 2dig n LEU 35 N 5.78 1.86 -3.82 2.97 4.77 -0.42 -0.93 117.00 127.21 2dig n LEU 35 Ca -0.05 0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 56.29 2dig n LEU 35 Cb 0.49 -0.95 0.02 0.00 -2.33 0.00 0.00 43.42 40.65 2dig n LEU 35 CO 0.46 0.22 0.59 -0.44 -1.33 0.00 0.00 177.39 176.89 2dig s SER 36 N -6.79 0.01 -0.07 -1.43 0.01 -1.16 -4.78 113.70 99.49 2dig s SER 36 Ca -0.28 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 55.91 2dig s SER 36 Cb 0.06 0.79 0.02 0.00 0.21 0.00 0.00 66.02 67.10 2dig s SER 36 CO 0.55 -1.57 -0.05 -2.28 0.41 0.00 0.00 173.24 170.31 2dig s HIS 37 N -2.26 0.97 -1.10 2.43 2.46 -1.26 -1.74 115.29 114.79 2dig s HIS 37 Ca 0.17 -0.35 -0.14 0.00 0.47 0.00 0.00 55.06 55.20 2dig s HIS 37 Cb -0.05 -0.89 0.19 0.00 -0.13 0.00 0.00 32.58 31.71 2dig s HIS 37 CO 0.10 -0.32 1.25 0.34 -2.47 0.00 0.00 174.74 173.65 2dig s ASP 38 N 1.41 7.01 0.37 9.88 -1.08 0.33 -4.85 116.67 129.73 2dig s ASP 38 Ca -0.03 -2.90 0.13 0.00 -0.52 0.00 0.00 52.55 49.24 2dig s ASP 38 Cb -0.13 -2.35 0.95 0.00 -1.46 0.00 0.00 42.92 39.93 2dig s ASP 38 CO -0.03 -0.71 1.80 -1.28 0.52 0.00 0.00 175.17 175.47 2dig h SER 39 N 7.45 0.57 -0.39 -0.34 0.87 -1.93 1.76 113.55 121.55 2dig h SER 39 Ca 0.24 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.96 2dig h SER 39 Cb 0.92 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.77 2dig h SER 39 CO 1.13 0.18 -0.27 0.74 -0.53 0.00 0.00 176.83 178.08 2dig h THR 40 N 0.54 0.30 -0.23 2.23 2.02 -1.96 -2.43 112.91 113.38 2dig h THR 40 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 2dig h THR 40 Cb 1.17 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2dig h THR 40 CO -0.30 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.39 2dig n SER 41 N -5.41 3.33 -2.69 4.18 7.64 -0.55 -4.95 113.62 115.17 2dig n SER 41 Ca 0.01 -2.71 -0.11 0.00 1.01 0.00 0.00 58.87 57.08 2dig n SER 41 Cb 0.32 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.37 -2.63 -3.66 1.43 1.13 0.59 -4.90 117.38 108.97 2dig n GLN 42 Ca 0.17 0.34 -0.37 0.00 -1.94 0.00 0.00 57.00 55.19 2dig n GLN 42 Cb 0.70 -4.91 -0.11 0.00 0.11 0.00 0.00 30.24 26.03 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 -5.58 3.83 -0.09 1.08 1.43 -0.69 -3.65 118.68 115.00 2dig s LEU 43 Ca 0.09 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 2dig s LEU 43 Cb -0.05 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2dig s LEU 43 CO 0.12 -0.03 0.62 -0.31 0.23 0.00 0.00 176.35 176.97 2dig s TYR 44 N 1.63 3.55 -0.49 0.29 1.51 0.12 -0.52 117.35 123.44 2dig s TYR 44 Ca 0.07 1.11 -0.20 0.00 -1.01 0.00 0.00 57.07 57.03 2dig s TYR 44 Cb -0.15 -2.71 0.05 0.00 -0.11 0.00 0.00 41.96 39.03 2dig s TYR 44 CO 0.08 0.11 0.67 0.99 -1.11 0.00 0.00 175.55 176.29 2dig s THR 45 N 0.78 4.80 0.25 -0.71 2.01 -0.71 -0.65 115.64 121.41 2dig s THR 45 Ca 0.33 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.18 2dig s THR 45 Cb -0.17 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2dig s THR 45 CO 0.15 -0.79 0.10 0.68 -0.69 0.00 0.00 174.62 174.07 2dig s VAL 46 N 2.86 4.00 -0.06 3.82 -7.23 -1.05 -1.30 120.40 121.43 2dig s VAL 46 Ca 0.19 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2dig s VAL 46 Cb -0.17 -3.15 -0.00 0.00 0.56 0.00 0.00 36.38 33.62 2dig s VAL 46 CO 0.15 -0.35 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.65 2dig s LYS 47 N -3.72 2.15 0.15 4.82 2.20 -0.80 -2.59 119.74 121.95 2dig s LYS 47 Ca 0.32 -0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 55.21 2dig s LYS 47 Cb -0.07 -1.79 -0.05 0.00 -1.51 0.00 0.00 37.83 34.41 2dig s LYS 47 CO 0.23 0.23 0.36 0.71 -0.36 0.00 0.00 175.35 176.52 2dig s TYR 48 N 0.13 3.48 0.12 4.03 1.51 0.05 -2.06 117.35 124.60 2dig s TYR 48 Ca -0.08 0.45 -0.23 0.00 -1.01 0.00 0.00 57.07 56.21 2dig s TYR 48 Cb -0.14 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 2dig s TYR 48 CO 0.04 0.44 1.35 1.17 -1.11 0.00 0.00 175.55 177.43 2dig n LYS 49 N -0.12 -0.32 -0.47 -0.62 4.81 -1.26 0.13 118.16 120.31 2dig n LYS 49 Ca -0.03 1.32 0.40 0.00 -0.87 0.00 0.00 58.31 59.13 2dig n LYS 49 Cb 0.52 -1.95 0.68 0.00 0.02 0.00 0.00 35.03 34.30 2dig n LYS 49 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2dig h ASP 50 N 0.00 0.20 0.00 3.14 3.32 -1.98 -3.43 116.42 117.67 2dig h ASP 50 Ca 0.12 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2dig h ASP 50 Cb 0.30 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2dig h ASP 50 CO -0.69 -0.27 0.00 0.61 -1.72 0.00 0.00 179.24 177.17 2dig n GLY 51 N -1.52 0.93 3.42 2.75 0.00 0.35 -5.14 105.19 105.99 2dig n GLY 51 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.34 2.64 -0.09 2.61 2.01 -1.18 -4.89 115.64 115.39 2dig s THR 52 Ca 0.00 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 60.94 2dig s THR 52 Cb 0.00 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 2dig s THR 52 CO 0.00 0.44 -0.21 -1.61 -0.69 0.00 0.00 174.62 172.55 2dig s GLU 53 N -1.10 2.98 0.25 4.92 2.02 -1.26 -0.77 118.70 125.73 2dig s GLU 53 Ca 0.13 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.30 2dig s GLU 53 Cb -0.10 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 2dig s GLU 53 CO 0.03 0.26 0.16 -0.51 0.02 0.00 0.00 175.26 175.22 2dig s LEU 54 N 0.16 1.40 -0.33 1.80 1.43 -1.07 -5.00 118.68 117.07 2dig s LEU 54 Ca -0.12 -1.49 -0.04 0.00 -1.03 0.00 0.00 54.13 51.46 2dig s LEU 54 Cb -0.16 0.35 0.05 0.00 0.03 0.00 0.00 46.19 46.46 2dig s LEU 54 CO 0.06 -0.88 0.07 -1.61 0.23 0.00 0.00 176.35 174.22 2dig s GLU 55 N -3.96 2.47 -0.10 1.70 2.02 -1.26 -2.54 118.70 117.04 2dig s GLU 55 Ca 0.39 -1.28 0.02 0.00 0.02 0.00 0.00 54.97 54.11 2dig s GLU 55 Cb 0.06 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 2dig s GLU 55 CO 0.16 -0.69 -0.15 -0.51 0.02 0.00 0.00 175.26 174.09 2dig s LEU 56 N 1.31 2.63 0.85 1.80 1.43 0.18 -4.82 118.68 122.06 2dig s LEU 56 Ca -0.02 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 2dig s LEU 56 Cb -0.20 -1.56 0.11 0.00 0.03 0.00 0.00 46.19 44.56 2dig s LEU 56 CO 0.00 0.23 1.12 -0.54 0.23 0.00 0.00 176.35 177.39 2dig s LYS 57 N -0.04 1.57 0.52 1.70 1.02 -1.26 0.14 119.74 123.39 2dig s LYS 57 Ca -0.04 1.37 0.26 0.00 0.02 0.00 0.00 55.97 57.58 2dig s LYS 57 Cb -0.14 -1.80 1.38 0.00 -0.52 0.00 0.00 37.83 36.75 2dig s LYS 57 CO 0.04 -2.19 1.96 1.49 -0.92 0.00 0.00 175.35 175.73 2dig h GLU 58 N -1.54 0.04 0.13 1.68 4.81 -1.93 -0.97 114.58 116.81 2dig h GLU 58 Ca -0.43 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.58 2dig h GLU 58 Cb 1.25 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.65 2dig h GLU 58 CO 0.46 0.03 -0.90 -0.97 -0.73 0.00 0.00 179.01 176.90 2dig h ASN 59 N 0.04 0.56 -0.11 1.04 -0.73 -1.92 -3.24 115.58 111.22 2dig h ASN 59 Ca 0.31 -0.91 0.03 0.00 1.87 0.00 0.00 56.30 57.60 2dig h ASN 59 Cb 1.19 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 39.59 2dig h ASN 59 CO -0.02 1.42 0.22 0.44 -0.37 0.00 0.00 177.43 179.13 2dig h ASP 60 N -0.22 0.00 -3.00 1.15 3.32 -1.53 -3.41 116.42 112.74 2dig h ASP 60 Ca -0.15 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.29 2dig h ASP 60 Cb 1.68 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.18 2dig h ASP 60 CO 0.17 0.00 -0.28 -0.63 -1.72 0.00 0.00 179.24 176.78 2dig s ILE 61 N -4.37 5.15 0.11 0.35 1.01 -0.93 -0.77 121.20 121.76 2dig s ILE 61 Ca -0.04 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.13 2dig s ILE 61 Cb 0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2dig s ILE 61 CO 0.44 0.41 -0.11 -0.54 0.00 0.00 0.00 174.94 175.13 2dig s LYS 62 N -1.59 0.93 0.06 2.79 1.02 -0.63 -4.95 119.74 117.36 2dig s LYS 62 Ca 0.28 -1.22 0.09 0.00 0.02 0.00 0.00 55.97 55.14 2dig s LYS 62 Cb -0.14 -0.66 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 2dig s LYS 62 CO 0.15 0.11 -0.25 -1.54 -0.92 0.00 0.00 175.35 172.90 2dig s SER 63 N -2.55 2.98 0.45 2.83 1.04 -1.26 -2.69 113.70 114.50 2dig s SER 63 Ca 0.08 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 55.99 2dig s SER 63 Cb -0.03 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.85 2dig s SER 63 CO 0.01 0.21 0.47 -0.83 0.98 0.00 0.00 173.24 174.09 2dig s GLY 64 N -1.36 2.08 0.33 7.32 0.00 -1.26 -5.06 107.32 109.37 2dig s GLY 64 Ca 0.11 -1.80 -0.28 0.00 0.00 0.00 0.00 44.72 42.75 2dig s GLY 64 CO 0.03 -1.69 1.22 2.56 0.00 0.00 0.00 173.10 175.22 2dig s PRO 65 N -4.26 4.38 -0.01 2.90 0.04 -1.26 -4.91 135.00 131.88 2dig s PRO 65 Ca 0.49 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.53 2dig s PRO 65 Cb -0.05 -3.03 -0.13 0.00 0.04 0.00 0.00 34.50 31.33 2dig s PRO 65 CO 0.29 -0.10 2.83 0.45 0.04 0.00 0.00 177.00 180.51 2dig n SER 66 N 0.78 5.34 -0.35 6.66 2.88 -1.26 -4.64 113.62 123.03 2dig n SER 66 Ca 0.00 -2.47 -0.05 0.00 -1.33 0.00 0.00 58.87 55.03 2dig n SER 66 Cb 0.44 -1.27 -0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2dig n SER 66 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dig h SER 67 N 2.04 -1.58 0.00 -3.46 0.87 -2.06 -3.58 113.55 105.78 2dig h SER 67 Ca 0.11 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2dig h SER 67 Cb 1.25 0.77 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 2dig h SER 67 CO 0.14 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.77