#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 2.44 -4.69 1.61 2.88 -1.26 -4.93 113.62 109.67 2dig n SER 2 Ca 0.00 1.13 -0.42 0.00 -1.33 0.00 0.00 58.87 58.25 2dig n SER 2 Cb 0.00 -1.47 -0.03 0.00 -0.75 0.00 0.00 64.21 61.96 2dig n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dig s SER 3 N -0.49 7.17 0.01 -3.46 0.15 -1.26 -4.97 113.70 110.86 2dig s SER 3 Ca 0.59 1.44 -0.03 0.00 0.70 0.00 0.00 55.95 58.66 2dig s SER 3 Cb -0.54 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.24 2dig s SER 3 CO 0.59 -0.42 0.79 0.61 1.20 0.00 0.00 173.24 176.02 2dig n GLY 4 N 3.17 -2.28 3.68 9.45 0.00 -1.26 -4.25 105.19 113.69 2dig n GLY 4 Ca 0.07 0.49 -0.46 0.00 0.00 0.00 0.00 46.02 46.13 2dig n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dig n SER 5 N -3.01 3.45 -4.43 1.61 7.64 -1.26 -4.91 113.62 112.71 2dig n SER 5 Ca 0.00 1.02 -0.44 0.00 1.01 0.00 0.00 58.87 60.46 2dig n SER 5 Cb 0.02 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 61.76 2dig n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dig s SER 6 N 2.46 6.57 0.00 6.43 0.01 -1.26 -4.81 113.70 123.10 2dig s SER 6 Ca 0.84 -1.99 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2dig s SER 6 Cb -0.64 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.23 2dig s SER 6 CO 0.43 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2dig n GLY 7 N 5.26 -0.22 3.80 3.44 0.00 -1.26 -5.03 105.19 111.17 2dig n GLY 7 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.72 4.44 1.20 1.61 0.00 -1.26 -5.06 119.30 119.51 2dig s MET 8 Ca 0.00 1.20 -0.20 0.00 0.00 0.00 0.00 55.69 56.68 2dig s MET 8 Cb 0.00 -2.64 0.30 0.00 0.00 0.00 0.00 34.83 32.49 2dig s MET 8 CO 0.00 0.21 1.07 -0.35 0.00 0.00 0.00 175.02 175.95 2dig n PRO 9 N 0.25 -3.11 -0.06 3.16 -0.04 -1.26 -5.03 135.00 128.91 2dig n PRO 9 Ca 0.03 -1.71 -0.05 0.00 -0.04 0.00 0.00 63.50 61.73 2dig n PRO 9 Cb 0.51 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 2dig n PRO 9 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dig h SER 10 N -2.69 0.00 -3.48 3.54 0.87 -1.99 -3.45 113.55 106.36 2dig h SER 10 Ca -0.40 -0.21 -0.61 0.00 -1.23 0.00 0.00 61.79 59.34 2dig h SER 10 Cb 1.23 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.08 2dig h SER 10 CO 0.26 0.70 0.17 -0.60 -0.53 0.00 0.00 176.83 176.84 2dig s ARG 11 N -1.86 4.09 0.33 2.24 3.52 -1.26 -4.92 118.95 121.09 2dig s ARG 11 Ca -0.08 0.54 0.25 0.00 -0.13 0.00 0.00 55.73 56.30 2dig s ARG 11 Cb 0.00 -3.66 1.10 0.00 -1.56 0.00 0.00 34.95 30.84 2dig s ARG 11 CO 0.20 -0.43 1.13 1.17 -0.81 0.00 0.00 175.30 176.57 2dig n LYS 12 N 5.74 -0.02 -4.07 5.12 0.00 -1.26 -3.66 118.16 120.01 2dig n LYS 12 Ca -0.00 0.90 -0.28 0.00 0.00 0.00 0.00 58.31 58.92 2dig n LYS 12 Cb 0.49 -1.79 -0.17 0.00 0.00 0.00 0.00 35.03 33.56 2dig n LYS 12 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2dig s PHE 13 N -4.75 1.75 0.29 5.64 0.08 -1.26 -5.05 117.98 114.68 2dig s PHE 13 Ca -0.05 -0.89 -0.29 0.00 0.12 0.00 0.00 56.93 55.82 2dig s PHE 13 Cb 0.22 -1.35 -0.10 0.00 -0.57 0.00 0.00 43.02 41.22 2dig s PHE 13 CO 0.60 -0.54 1.45 0.00 -0.10 0.00 0.00 175.22 176.63 2dig s ALA 14 N 1.46 3.61 0.12 5.36 0.00 -1.24 -4.90 121.76 126.17 2dig s ALA 14 Ca 0.02 1.40 -0.35 0.00 0.00 0.00 0.00 51.96 53.02 2dig s ALA 14 Cb -0.13 -3.57 -0.15 0.00 0.00 0.00 0.00 23.12 19.27 2dig s ALA 14 CO -0.07 -0.82 1.46 -0.25 0.00 0.00 0.00 175.76 176.09 2dig n ASP 15 N 1.68 2.38 0.00 0.00 9.92 -1.26 -0.23 116.55 129.04 2dig n ASP 15 Ca 0.05 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 2dig n ASP 15 Cb 0.40 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 2dig n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dig n GLY 16 N 2.98 3.09 3.62 0.44 0.00 0.75 -4.99 105.19 111.08 2dig n GLY 16 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.73 1.27 -3.24 1.61 4.07 0.68 -4.20 120.64 119.10 2dig n GLU 17 Ca 0.00 0.46 -0.45 0.00 -0.06 0.00 0.00 57.16 57.12 2dig n GLU 17 Cb 0.00 -2.10 -0.06 0.00 -0.06 0.00 0.00 31.44 29.22 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 -1.35 5.03 0.47 6.31 1.01 -1.26 -0.99 120.40 129.63 2dig s VAL 18 Ca 0.66 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2dig s VAL 18 Cb -0.51 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 31.55 2dig s VAL 18 CO 0.54 -0.87 0.09 1.33 0.00 0.00 0.00 175.10 176.19 2dig n VAL 19 N 5.40 0.00 -4.01 2.92 0.24 0.44 -4.90 118.33 118.42 2dig n VAL 19 Ca -0.11 -2.15 -0.35 0.00 -2.04 0.00 0.00 64.34 59.69 2dig n VAL 19 Cb 0.43 0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 33.00 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 -3.77 3.75 -0.04 7.34 0.52 -0.82 -0.02 118.95 125.91 2dig s ARG 20 Ca 0.06 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 2dig s ARG 20 Cb -0.01 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 2dig s ARG 20 CO 0.04 0.07 -0.13 0.20 0.02 0.00 0.00 175.30 175.50 2dig s GLY 21 N 0.89 1.58 -0.66 -3.53 0.00 -0.90 -0.37 107.32 104.33 2dig s GLY 21 Ca 0.02 -0.99 -0.26 0.00 0.00 0.00 0.00 44.72 43.50 2dig s GLY 21 CO 0.02 -0.80 1.14 -1.60 0.00 0.00 0.00 173.10 171.86 2dig s ARG 22 N -0.88 3.25 0.36 2.90 3.52 -0.93 -2.40 118.95 124.77 2dig s ARG 22 Ca 0.12 -0.29 -0.28 0.00 -0.13 0.00 0.00 55.73 55.16 2dig s ARG 22 Cb -0.11 -4.14 -0.12 0.00 -1.56 0.00 0.00 34.95 29.03 2dig s ARG 22 CO 0.02 -1.88 1.35 1.87 -0.81 0.00 0.00 175.30 175.85 2dig n TRP 23 N 8.52 2.50 -2.09 5.12 -0.00 -1.09 -4.87 117.44 125.52 2dig n TRP 23 Ca 0.02 0.52 -0.43 0.00 -0.00 0.00 0.00 57.50 57.61 2dig n TRP 23 Cb 0.48 -2.45 -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 -1.98 3.46 0.00 5.87 0.04 -1.26 -2.30 135.00 138.83 2dig s PRO 24 Ca 0.55 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2dig s PRO 24 Cb -0.54 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2dig s PRO 24 CO 0.62 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2dig n GLY 25 N 5.23 2.92 0.10 0.56 0.00 -1.26 -4.83 105.19 107.91 2dig n GLY 25 Ca 0.21 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 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 0.52 0.00 -3.77 1.61 0.87 -1.92 -3.47 113.55 107.39 2dig h SER 26 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2dig h SER 26 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2dig h SER 26 CO 0.00 0.79 -0.48 -1.54 -0.53 0.00 0.00 176.83 175.07 2dig n SER 27 N -3.42 -5.11 -4.10 6.23 3.41 -0.97 -4.96 113.62 104.69 2dig n SER 27 Ca 0.00 -0.03 -0.24 0.00 -0.26 0.00 0.00 58.87 58.34 2dig n SER 27 Cb 0.81 -4.24 -0.16 0.00 -0.26 0.00 0.00 64.21 60.36 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 -6.07 1.93 -0.32 1.04 1.43 -1.26 -4.97 118.68 110.47 2dig s LEU 28 Ca 0.09 -0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 2dig s LEU 28 Cb -0.04 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.37 2dig s LEU 28 CO 0.11 0.15 0.82 -0.31 0.23 0.00 0.00 176.35 177.36 2dig s TYR 29 N -0.08 3.18 0.21 0.29 2.02 -1.26 -2.66 117.35 119.04 2dig s TYR 29 Ca 0.00 0.81 0.10 0.00 -0.37 0.00 0.00 57.07 57.61 2dig s TYR 29 Cb -0.09 -3.31 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 2dig s TYR 29 CO 0.01 -0.62 -0.10 0.71 -1.57 0.00 0.00 175.55 173.97 2dig s TYR 30 N 3.07 2.58 -0.25 2.71 2.02 -1.01 -4.86 117.35 121.61 2dig s TYR 30 Ca 0.34 -0.25 -0.29 0.00 -0.37 0.00 0.00 57.07 56.51 2dig s TYR 30 Cb -0.14 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 2dig s TYR 30 CO 0.14 0.56 1.84 -2.00 -1.57 0.00 0.00 175.55 174.51 2dig s GLU 31 N -3.08 3.48 0.16 -0.62 2.12 -1.26 -2.13 118.70 117.37 2dig s GLU 31 Ca 0.26 1.68 0.04 0.00 0.36 0.00 0.00 54.97 57.32 2dig s GLU 31 Cb -0.08 -4.18 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 2dig s GLU 31 CO 0.16 -1.69 -0.07 0.14 -0.54 0.00 0.00 175.26 173.26 2dig s VAL 32 N 6.52 1.02 0.17 3.70 -7.23 0.97 -4.40 120.40 121.15 2dig s VAL 32 Ca 0.82 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 2dig s VAL 32 Cb -0.26 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2dig s VAL 32 CO 0.33 -0.66 0.13 -0.70 -0.31 0.00 0.00 175.10 173.88 2dig s GLU 33 N -3.80 2.85 -0.32 4.82 2.12 -0.98 -0.42 118.70 122.96 2dig s GLU 33 Ca 0.19 -0.91 -0.18 0.00 0.36 0.00 0.00 54.97 54.43 2dig s GLU 33 Cb 0.04 -2.61 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 2dig s GLU 33 CO 0.02 0.47 0.51 0.42 -0.54 0.00 0.00 175.26 176.14 2dig s ILE 34 N -1.78 5.03 -0.16 -3.70 -1.09 -0.16 -1.73 121.20 117.61 2dig s ILE 34 Ca 0.31 0.50 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 2dig s ILE 34 Cb -0.10 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 2dig s ILE 34 CO 0.23 -0.12 -0.09 0.18 -1.23 0.00 0.00 174.94 173.91 2dig n LEU 35 N 5.68 1.83 0.00 2.97 4.77 0.12 -0.18 117.00 132.19 2dig n LEU 35 Ca -0.05 0.56 -0.08 0.00 -0.03 0.00 0.00 56.01 56.42 2dig n LEU 35 Cb 0.49 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 2dig n LEU 35 CO 0.44 -0.25 0.17 -1.20 -1.33 0.00 0.00 177.39 175.21 2dig n SER 36 N -4.56 -1.02 -3.79 -1.43 7.64 -1.06 -4.69 113.62 104.70 2dig n SER 36 Ca -0.15 -2.14 -0.19 0.00 1.01 0.00 0.00 58.87 57.41 2dig n SER 36 Cb 0.39 1.83 -0.17 0.00 -1.01 0.00 0.00 64.21 65.26 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 -4.00 0.36 -0.94 1.43 2.46 -1.26 -1.78 115.29 111.56 2dig s HIS 37 Ca 0.16 -0.00 -0.12 0.00 0.47 0.00 0.00 55.06 55.56 2dig s HIS 37 Cb -0.01 -0.50 0.24 0.00 -0.13 0.00 0.00 32.58 32.17 2dig s HIS 37 CO 0.12 -0.18 0.91 0.34 -2.47 0.00 0.00 174.74 173.46 2dig s ASP 38 N 1.34 6.97 0.30 9.88 -1.08 0.11 -4.89 116.67 129.29 2dig s ASP 38 Ca -0.05 -3.00 0.04 0.00 -0.52 0.00 0.00 52.55 49.01 2dig s ASP 38 Cb -0.13 -2.22 0.64 0.00 -1.46 0.00 0.00 42.92 39.75 2dig s ASP 38 CO -0.02 -0.49 1.82 0.77 0.52 0.00 0.00 175.17 177.77 2dig h SER 39 N 7.40 0.86 -0.61 -0.34 4.64 -1.92 1.56 113.55 125.14 2dig h SER 39 Ca 0.14 0.06 0.11 0.00 -0.47 0.00 0.00 61.79 61.63 2dig h SER 39 Cb 0.98 -0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 62.85 2dig h SER 39 CO 0.86 0.41 -0.32 0.74 -0.87 0.00 0.00 176.83 177.66 2dig h THR 40 N 0.90 0.18 -0.14 2.95 2.02 -1.95 -2.09 112.91 114.77 2dig h THR 40 Ca 0.52 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.68 2dig h THR 40 Cb 0.64 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2dig h THR 40 CO -0.29 0.00 -0.05 -1.20 0.37 0.00 0.00 175.52 174.35 2dig n SER 41 N -5.44 2.89 -2.46 4.18 7.64 -0.81 -4.95 113.62 114.67 2dig n SER 41 Ca 0.05 -3.20 -0.04 0.00 1.01 0.00 0.00 58.87 56.69 2dig n SER 41 Cb 0.36 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.03 -2.73 -3.43 1.43 3.00 0.52 -4.87 117.38 110.27 2dig n GLN 42 Ca 0.20 0.19 -0.39 0.00 -0.01 0.00 0.00 57.00 57.00 2dig n GLN 42 Cb 0.78 -4.72 -0.09 0.00 0.00 0.00 0.00 30.24 26.22 2dig n GLN 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2dig s LEU 43 N -5.16 4.07 -0.07 1.08 1.43 -0.37 -3.05 118.68 116.61 2dig s LEU 43 Ca 0.00 0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 2dig s LEU 43 Cb 0.00 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 2dig s LEU 43 CO 0.00 -0.13 0.47 -0.31 0.23 0.00 0.00 176.35 176.60 2dig s TYR 44 N 1.80 3.60 -0.47 0.29 1.51 0.43 0.04 117.35 124.54 2dig s TYR 44 Ca 0.15 0.95 -0.19 0.00 -1.01 0.00 0.00 57.07 56.97 2dig s TYR 44 Cb -0.15 -2.48 0.04 0.00 -0.11 0.00 0.00 41.96 39.26 2dig s TYR 44 CO 0.09 0.33 0.57 0.99 -1.11 0.00 0.00 175.55 176.42 2dig s THR 45 N 0.01 4.94 0.18 -0.71 2.01 -0.73 -0.53 115.64 120.81 2dig s THR 45 Ca 0.25 -0.39 0.08 0.00 0.31 0.00 0.00 61.69 61.95 2dig s THR 45 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2dig s THR 45 CO 0.12 -0.66 -0.07 0.68 -0.69 0.00 0.00 174.62 173.99 2dig s VAL 46 N 2.48 3.31 -0.13 3.82 -7.23 -1.01 0.12 120.40 121.77 2dig s VAL 46 Ca 0.15 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2dig s VAL 46 Cb -0.18 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 2dig s VAL 46 CO 0.13 -0.11 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.90 2dig s LYS 47 N -2.85 3.28 0.14 4.82 2.20 -0.70 -2.27 119.74 124.36 2dig s LYS 47 Ca 0.25 -0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 54.99 2dig s LYS 47 Cb -0.09 -2.55 -0.07 0.00 -1.51 0.00 0.00 37.83 33.61 2dig s LYS 47 CO 0.16 0.18 0.53 0.71 -0.36 0.00 0.00 175.35 176.57 2dig s TYR 48 N 0.42 3.60 0.06 4.03 1.51 0.39 -2.32 117.35 125.03 2dig s TYR 48 Ca -0.12 1.03 -0.12 0.00 -1.01 0.00 0.00 57.07 56.84 2dig s TYR 48 Cb -0.16 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 2dig s TYR 48 CO 0.06 0.43 1.10 1.63 -1.11 0.00 0.00 175.55 177.66 2dig n LYS 49 N 0.78 -0.18 -0.31 -0.62 5.02 -1.26 0.12 118.16 121.70 2dig n LYS 49 Ca -0.05 1.09 0.29 0.00 -2.02 0.00 0.00 58.31 57.61 2dig n LYS 49 Cb 0.52 -1.61 0.50 0.00 -0.02 0.00 0.00 35.03 34.42 2dig n LYS 49 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dig n ASP 50 N -3.89 0.23 0.00 4.39 8.00 -1.26 -4.69 116.55 119.33 2dig n ASP 50 Ca 0.01 1.22 0.00 0.00 0.71 0.00 0.00 54.79 56.73 2dig n ASP 50 Cb 0.10 -0.60 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 -1.31 0.83 3.04 0.44 0.00 0.32 -5.15 105.19 103.37 2dig n GLY 51 Ca 0.31 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.26 0.93 -0.10 2.61 2.01 -1.15 -4.92 115.64 114.75 2dig s THR 52 Ca 0.00 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 2dig s THR 52 Cb 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 2dig s THR 52 CO 0.00 0.28 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.58 2dig s GLU 53 N 0.01 3.16 0.27 4.92 2.02 -1.26 -0.47 118.70 127.36 2dig s GLU 53 Ca -0.01 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.54 2dig s GLU 53 Cb -0.08 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 2dig s GLU 53 CO 0.00 0.56 0.27 -0.51 0.02 0.00 0.00 175.26 175.60 2dig s LEU 54 N -0.51 1.29 -0.29 1.80 1.43 -0.96 -5.00 118.68 116.45 2dig s LEU 54 Ca 0.08 -1.51 0.03 0.00 -1.03 0.00 0.00 54.13 51.71 2dig s LEU 54 Cb -0.12 0.72 0.07 0.00 0.03 0.00 0.00 46.19 46.90 2dig s LEU 54 CO 0.02 -1.02 -0.05 -1.61 0.23 0.00 0.00 176.35 173.93 2dig s GLU 55 N -3.71 1.91 -0.13 1.70 2.02 -1.26 -2.39 118.70 116.84 2dig s GLU 55 Ca 0.37 -1.50 -0.00 0.00 0.02 0.00 0.00 54.97 53.86 2dig s GLU 55 Cb 0.04 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 2dig s GLU 55 CO 0.19 -0.70 -0.13 -0.51 0.02 0.00 0.00 175.26 174.13 2dig s LEU 56 N 1.06 2.73 0.96 1.80 1.43 0.31 -4.77 118.68 122.21 2dig s LEU 56 Ca -0.02 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2dig s LEU 56 Cb -0.20 -1.62 0.15 0.00 0.03 0.00 0.00 46.19 44.56 2dig s LEU 56 CO -0.06 0.16 0.99 0.29 0.23 0.00 0.00 176.35 177.95 2dig n LYS 57 N 3.58 -0.71 -0.07 1.70 5.02 -1.26 -0.43 118.16 125.99 2dig n LYS 57 Ca -0.18 -0.15 0.21 0.00 -2.02 0.00 0.00 58.31 56.17 2dig n LYS 57 Cb 0.53 -2.26 0.67 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.95 0.07 0.05 1.97 4.81 -1.90 -1.36 114.58 116.26 2dig h GLU 58 Ca -0.46 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 2dig h GLU 58 Cb 1.28 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.66 2dig h GLU 58 CO 0.41 0.04 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.37 2dig h ASN 59 N 0.07 0.31 -0.58 1.04 4.21 -1.90 -3.24 115.58 115.49 2dig h ASN 59 Ca 0.31 -0.88 0.17 0.00 1.21 0.00 0.00 56.30 57.11 2dig h ASN 59 Cb 1.15 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 2dig h ASN 59 CO -0.02 1.16 0.52 0.44 -1.29 0.00 0.00 177.43 178.24 2dig h ASP 60 N -0.49 0.00 -3.23 5.81 3.32 -1.58 -3.39 116.42 116.86 2dig h ASP 60 Ca -0.07 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.40 2dig h ASP 60 Cb 1.27 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 2dig h ASP 60 CO 0.09 0.00 -0.14 -0.63 -1.72 0.00 0.00 179.24 176.84 2dig s ILE 61 N -4.75 5.08 0.19 0.35 1.01 -0.96 -2.18 121.20 119.94 2dig s ILE 61 Ca -0.04 0.96 0.09 0.00 0.00 0.00 0.00 60.65 61.66 2dig s ILE 61 Cb 0.17 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2dig s ILE 61 CO 0.62 0.43 -0.18 -0.54 0.00 0.00 0.00 174.94 175.27 2dig s LYS 62 N -0.09 1.34 0.03 2.79 -0.14 0.50 -4.94 119.74 119.23 2dig s LYS 62 Ca 0.26 -1.49 0.01 0.00 -1.36 0.00 0.00 55.97 53.39 2dig s LYS 62 Cb -0.16 -1.36 -0.02 0.00 -1.68 0.00 0.00 37.83 34.61 2dig s LYS 62 CO 0.12 0.26 -0.06 -1.54 -0.76 0.00 0.00 175.35 173.38 2dig s SER 63 N -2.89 0.60 0.55 2.83 1.04 -1.26 -1.95 113.70 112.61 2dig s SER 63 Ca 0.19 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.20 2dig s SER 63 Cb -0.05 0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.20 2dig s SER 63 CO 0.08 -0.18 0.66 0.61 0.98 0.00 0.00 173.24 175.38 2dig n GLY 64 N 1.80 1.19 0.00 7.32 0.00 -1.26 -4.97 105.19 109.27 2dig n GLY 64 Ca -0.21 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 43.80 2dig n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dig n PRO 65 N -2.15 0.23 -1.22 1.61 -0.04 -1.26 -4.87 135.00 127.30 2dig n PRO 65 Ca 0.12 0.13 -0.48 0.00 -0.04 0.00 0.00 63.50 63.23 2dig n PRO 65 Cb 0.42 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 2dig n PRO 65 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dig n SER 66 N -1.26 0.10 -4.32 3.54 7.64 -1.26 -4.95 113.62 113.11 2dig n SER 66 Ca 0.07 0.93 -0.17 0.00 1.01 0.00 0.00 58.87 60.71 2dig n SER 66 Cb 0.11 -0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 62.48 2dig n SER 66 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dig s SER 67 N 0.26 2.06 0.00 6.43 1.04 -1.26 -5.22 113.70 117.01 2dig s SER 67 Ca 0.74 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2dig s SER 67 Cb -1.03 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.04 2dig s SER 67 CO 0.48 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.93