#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 -0.43 0.29 1.61 1.04 -1.26 -5.19 113.70 109.77 2dig s SER 2 Ca 0.00 0.80 -0.20 0.00 0.48 0.00 0.00 55.95 57.03 2dig s SER 2 Cb 0.00 0.88 0.03 0.00 0.10 0.00 0.00 66.02 67.02 2dig s SER 2 CO 0.00 -0.14 0.73 -0.44 0.98 0.00 0.00 173.24 174.38 2dig s SER 3 N 0.41 -0.22 0.00 7.02 0.01 -1.26 -5.18 113.70 114.48 2dig s SER 3 Ca 0.01 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2dig s SER 3 Cb -0.05 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2dig s SER 3 CO -0.09 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.79 2dig n GLY 4 N -0.47 3.95 3.83 3.44 0.00 -1.26 -5.19 105.19 109.49 2dig n GLY 4 Ca -0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -0.05 0.31 1.61 1.04 -1.26 -5.19 113.70 110.15 2dig s SER 5 Ca 0.00 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.76 2dig s SER 5 Cb 0.00 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 2dig s SER 5 CO 0.00 -1.14 0.17 -0.94 0.98 0.00 0.00 173.24 172.31 2dig s SER 6 N -3.19 1.57 -0.08 7.02 1.04 -1.26 -5.16 113.70 113.64 2dig s SER 6 Ca 0.17 -1.58 0.01 0.00 0.48 0.00 0.00 55.95 55.04 2dig s SER 6 Cb -0.03 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2dig s SER 6 CO 0.06 -0.91 -0.10 -0.83 0.98 0.00 0.00 173.24 172.45 2dig s GLY 7 N -3.38 0.76 0.05 7.32 0.00 -1.26 -5.14 107.32 105.68 2dig s GLY 7 Ca 0.36 -0.41 0.05 0.00 0.00 0.00 0.00 44.72 44.71 2dig s GLY 7 CO 0.18 0.41 -0.08 1.06 0.00 0.00 0.00 173.10 174.66 2dig s MET 8 N 1.07 2.35 0.30 2.90 1.00 -1.26 -5.01 119.30 120.64 2dig s MET 8 Ca -0.07 -0.87 0.25 0.00 0.00 0.00 0.00 55.69 55.00 2dig s MET 8 Cb -0.14 -2.40 1.04 0.00 0.00 0.00 0.00 34.83 33.32 2dig s MET 8 CO -0.01 0.56 1.75 -1.00 0.00 0.00 0.00 175.02 176.31 2dig h PRO 9 N 4.09 0.00 -6.67 2.03 0.13 -2.09 -3.43 132.00 126.06 2dig h PRO 9 Ca -0.48 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 2dig h PRO 9 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 2dig h PRO 9 CO 0.53 0.00 -0.78 -1.12 -0.23 0.00 0.00 178.00 176.40 2dig s SER 10 N -4.42 4.02 0.27 1.44 0.01 -1.26 -5.13 113.70 108.63 2dig s SER 10 Ca 0.04 -0.52 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 2dig s SER 10 Cb 0.09 -0.62 -0.08 0.00 0.21 0.00 0.00 66.02 65.63 2dig s SER 10 CO 0.41 0.17 0.62 0.00 0.41 0.00 0.00 173.24 174.85 2dig s ARG 11 N -2.20 3.86 0.38 12.44 1.70 -1.26 -4.96 118.95 128.92 2dig s ARG 11 Ca 0.19 0.40 0.19 0.00 -0.47 0.00 0.00 55.73 56.04 2dig s ARG 11 Cb -0.11 -2.57 1.14 0.00 -0.57 0.00 0.00 34.95 32.85 2dig s ARG 11 CO 0.11 0.25 1.71 -0.22 -1.08 0.00 0.00 175.30 176.07 2dig h LYS 12 N 2.39 0.33 -4.68 3.89 3.11 -2.00 -3.31 116.57 116.30 2dig h LYS 12 Ca -0.47 -0.02 -0.65 0.00 -2.81 0.00 0.00 60.65 56.70 2dig h LYS 12 Cb 1.17 -0.07 -0.38 0.00 -1.00 0.00 0.00 32.23 31.95 2dig h LYS 12 CO 0.68 0.22 -0.78 -0.06 -2.81 0.00 0.00 179.45 176.70 2dig s PHE 13 N -5.52 3.16 0.54 1.91 0.08 -1.26 -5.10 117.98 111.79 2dig s PHE 13 Ca -0.09 -2.36 -0.21 0.00 0.12 0.00 0.00 56.93 54.38 2dig s PHE 13 Cb 0.27 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 2dig s PHE 13 CO 0.80 -0.88 1.29 0.00 -0.10 0.00 0.00 175.22 176.34 2dig s ALA 14 N 1.13 2.80 0.13 5.36 0.00 -1.25 -4.90 121.76 125.03 2dig s ALA 14 Ca -0.03 1.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.81 2dig s ALA 14 Cb -0.19 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 2dig s ALA 14 CO -0.07 -1.19 1.77 -0.40 0.00 0.00 0.00 175.76 175.87 2dig n ASP 15 N -1.00 3.81 0.00 0.00 5.75 -1.26 -1.15 116.55 122.69 2dig n ASP 15 Ca 0.10 1.02 0.00 0.00 -0.01 0.00 0.00 54.79 55.90 2dig n ASP 15 Cb 0.46 -1.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.04 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 4.03 3.16 3.65 6.12 0.00 0.15 -4.98 105.19 117.32 2dig n GLY 16 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.47 1.69 -3.14 1.61 2.13 -0.30 -4.30 120.64 116.86 2dig n GLU 17 Ca 0.00 0.60 -0.44 0.00 0.66 0.00 0.00 57.16 57.98 2dig n GLU 17 Cb 0.00 -2.16 -0.06 0.00 0.27 0.00 0.00 31.44 29.50 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 -1.17 4.85 0.48 6.31 1.01 -1.26 -1.46 120.40 129.15 2dig s VAL 18 Ca 0.60 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2dig s VAL 18 Cb -0.57 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.41 2dig s VAL 18 CO 0.59 -0.94 0.06 0.68 0.00 0.00 0.00 175.10 175.49 2dig s VAL 19 N 2.67 0.87 -0.15 2.92 -7.23 -0.18 -4.94 120.40 114.36 2dig s VAL 19 Ca 0.14 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 2dig s VAL 19 Cb -0.21 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2dig s VAL 19 CO 0.10 0.00 0.12 -0.13 -0.31 0.00 0.00 175.10 174.87 2dig s ARG 20 N -3.80 3.67 -0.13 4.82 0.52 0.24 -0.33 118.95 123.95 2dig s ARG 20 Ca 0.12 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 2dig s ARG 20 Cb 0.01 -3.23 0.01 0.00 0.52 0.00 0.00 34.95 32.27 2dig s ARG 20 CO 0.07 0.59 -0.18 0.20 0.02 0.00 0.00 175.30 176.00 2dig s GLY 21 N -0.49 1.18 -0.49 -3.53 0.00 -0.78 -0.09 107.32 103.12 2dig s GLY 21 Ca 0.12 -0.90 -0.27 0.00 0.00 0.00 0.00 44.72 43.66 2dig s GLY 21 CO 0.02 0.17 1.89 -1.60 0.00 0.00 0.00 173.10 173.57 2dig s ARG 22 N 0.98 2.85 0.13 2.90 3.52 -0.94 -3.15 118.95 125.25 2dig s ARG 22 Ca -0.05 1.01 -0.21 0.00 -0.13 0.00 0.00 55.73 56.35 2dig s ARG 22 Cb -0.15 -4.33 -0.12 0.00 -1.56 0.00 0.00 34.95 28.78 2dig s ARG 22 CO -0.03 -2.45 0.41 1.87 -0.81 0.00 0.00 175.30 174.29 2dig n TRP 23 N 12.12 -0.29 0.98 5.12 -0.00 -1.11 -4.73 117.44 129.53 2dig n TRP 23 Ca 0.23 0.71 0.05 0.00 -0.00 0.00 0.00 57.50 58.49 2dig n TRP 23 Cb 0.50 -1.43 0.32 0.00 -0.00 0.00 0.00 31.31 30.71 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 0.75 0.49 -2.73 5.87 -0.04 -1.26 -3.06 135.00 135.02 2dig n PRO 24 Ca 0.13 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.56 2dig n PRO 24 Cb 0.17 -1.35 0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 1.75 3.69 0.55 0.00 -1.26 -5.12 105.19 104.78 2dig n GLY 25 Ca 0.08 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.49 -0.06 -0.34 1.61 0.15 -1.17 -5.04 113.70 106.36 2dig s SER 26 Ca 0.21 -0.21 0.07 0.00 0.70 0.00 0.00 55.95 56.72 2dig s SER 26 Cb 0.40 0.22 0.54 0.00 -1.71 0.00 0.00 66.02 65.47 2dig s SER 26 CO -0.06 -0.42 1.57 -1.20 1.20 0.00 0.00 173.24 174.33 2dig n SER 27 N -0.59 3.04 -4.28 5.45 7.64 -1.26 -4.49 113.62 119.13 2dig n SER 27 Ca -0.07 -3.76 -0.25 0.00 1.01 0.00 0.00 58.87 55.80 2dig n SER 27 Cb 0.62 -0.68 -0.13 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.31 2.25 -0.14 -3.43 1.43 -1.26 -5.06 118.68 109.16 2dig s LEU 28 Ca 0.48 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2dig s LEU 28 Cb 0.43 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 2dig s LEU 28 CO 0.02 0.10 0.03 -0.31 0.23 0.00 0.00 176.35 176.42 2dig s TYR 29 N -1.02 3.21 0.21 0.29 1.51 -1.26 -2.75 117.35 117.53 2dig s TYR 29 Ca 0.07 0.08 0.10 0.00 -1.01 0.00 0.00 57.07 56.31 2dig s TYR 29 Cb -0.10 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 2dig s TYR 29 CO 0.03 0.28 -0.19 0.71 -1.11 0.00 0.00 175.55 175.27 2dig s TYR 30 N -0.18 1.99 -0.05 2.71 2.02 -1.19 -4.90 117.35 117.75 2dig s TYR 30 Ca 0.06 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 2dig s TYR 30 Cb -0.12 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.45 2dig s TYR 30 CO 0.02 0.47 1.60 -2.00 -1.57 0.00 0.00 175.55 174.07 2dig s GLU 31 N -3.17 4.19 0.03 -0.62 2.12 -1.26 -1.87 118.70 118.12 2dig s GLU 31 Ca 0.22 2.13 -0.01 0.00 0.36 0.00 0.00 54.97 57.67 2dig s GLU 31 Cb -0.05 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 2dig s GLU 31 CO 0.09 -0.81 -0.01 0.14 -0.54 0.00 0.00 175.26 174.13 2dig s VAL 32 N 3.81 0.13 0.05 3.70 -7.23 0.55 -4.22 120.40 117.19 2dig s VAL 32 Ca 0.71 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.77 2dig s VAL 32 Cb -0.32 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 2dig s VAL 32 CO 0.28 -0.61 0.20 -0.70 -0.31 0.00 0.00 175.10 173.97 2dig s GLU 33 N -2.05 3.44 -0.34 4.82 2.12 -0.31 -1.01 118.70 125.37 2dig s GLU 33 Ca -0.10 -0.41 -0.25 0.00 0.36 0.00 0.00 54.97 54.57 2dig s GLU 33 Cb -0.06 -3.05 0.01 0.00 0.26 0.00 0.00 34.13 31.29 2dig s GLU 33 CO -0.03 0.62 0.87 0.42 -0.54 0.00 0.00 175.26 176.60 2dig s ILE 34 N -1.47 4.67 -0.19 -3.70 -1.09 -0.54 -0.68 121.20 118.20 2dig s ILE 34 Ca 0.33 1.17 -0.18 0.00 -2.23 0.00 0.00 60.65 59.74 2dig s ILE 34 Cb -0.13 -4.26 -0.21 0.00 -1.58 0.00 0.00 42.46 36.29 2dig s ILE 34 CO 0.26 -0.42 0.24 0.18 -1.23 0.00 0.00 174.94 173.97 2dig n LEU 35 N 6.53 2.02 -3.72 2.97 4.77 0.45 0.31 117.00 130.34 2dig n LEU 35 Ca 0.06 0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 2dig n LEU 35 Cb 0.48 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 2dig n LEU 35 CO 0.55 0.40 0.50 -0.44 -1.33 0.00 0.00 177.39 177.07 2dig s SER 36 N -6.91 -0.33 -0.30 -1.43 0.01 -1.08 -4.76 113.70 98.91 2dig s SER 36 Ca -0.28 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2dig s SER 36 Cb 0.06 0.65 0.09 0.00 0.21 0.00 0.00 66.02 67.03 2dig s SER 36 CO 0.63 -1.16 0.06 -2.28 0.41 0.00 0.00 173.24 170.90 2dig s HIS 37 N -3.75 2.23 0.13 2.43 2.46 -1.26 -1.45 115.29 116.08 2dig s HIS 37 Ca 0.08 -1.96 -0.30 0.00 0.47 0.00 0.00 55.06 53.35 2dig s HIS 37 Cb -0.04 -1.92 -0.06 0.00 -0.13 0.00 0.00 32.58 30.43 2dig s HIS 37 CO 0.01 -0.86 1.02 -0.51 -2.47 0.00 0.00 174.74 171.92 2dig s ASP 38 N 1.44 7.41 0.00 9.88 1.01 -0.54 -4.94 116.67 130.93 2dig s ASP 38 Ca 0.07 1.90 0.21 0.00 0.71 0.00 0.00 52.55 55.44 2dig s ASP 38 Cb -0.18 -2.59 -0.22 0.00 1.01 0.00 0.00 42.92 40.93 2dig s ASP 38 CO -0.17 -0.13 0.58 -1.54 0.21 0.00 0.00 175.17 174.12 2dig n SER 39 N 2.67 0.32 0.07 0.27 3.41 -1.26 -2.42 113.62 116.67 2dig n SER 39 Ca 0.03 0.13 -0.12 0.00 -0.26 0.00 0.00 58.87 58.65 2dig n SER 39 Cb 0.48 1.21 -0.05 0.00 -0.26 0.00 0.00 64.21 65.59 2dig n SER 39 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2dig h THR 40 N 0.00 0.46 -0.06 6.66 2.02 -1.95 -3.13 112.91 116.91 2dig h THR 40 Ca -0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2dig h THR 40 Cb 1.31 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2dig h THR 40 CO 0.01 0.00 -0.10 -1.20 0.37 0.00 0.00 175.52 174.60 2dig n SER 41 N -5.36 2.44 -4.35 4.18 7.64 -1.26 -4.97 113.62 111.94 2dig n SER 41 Ca -0.05 -3.28 -0.37 0.00 1.01 0.00 0.00 58.87 56.18 2dig n SER 41 Cb 0.27 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.23 -1.75 -4.44 1.43 1.13 -1.11 -4.91 117.38 106.49 2dig n GLN 42 Ca 0.18 0.23 -0.34 0.00 -1.94 0.00 0.00 57.00 55.14 2dig n GLN 42 Cb 0.71 -4.62 -0.12 0.00 0.11 0.00 0.00 30.24 26.32 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 -7.26 3.19 -0.23 1.08 1.43 -1.02 -3.80 118.68 112.08 2dig s LEU 43 Ca 0.58 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 2dig s LEU 43 Cb -0.33 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2dig s LEU 43 CO 0.98 0.17 0.28 -0.31 0.23 0.00 0.00 176.35 177.70 2dig s TYR 44 N 0.35 3.33 -0.53 0.29 1.51 0.67 -1.47 117.35 121.50 2dig s TYR 44 Ca -0.05 0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 56.18 2dig s TYR 44 Cb -0.14 -2.41 0.05 0.00 -0.11 0.00 0.00 41.96 39.35 2dig s TYR 44 CO 0.03 -0.00 0.84 0.99 -1.11 0.00 0.00 175.55 176.30 2dig s THR 45 N 1.28 4.55 0.34 -0.71 2.01 -0.53 -0.55 115.64 122.03 2dig s THR 45 Ca 0.13 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.26 2dig s THR 45 Cb -0.14 -4.46 -0.03 0.00 0.01 0.00 0.00 72.50 67.88 2dig s THR 45 CO 0.07 -1.01 0.27 0.68 -0.69 0.00 0.00 174.62 173.94 2dig s VAL 46 N 3.52 3.38 -0.05 3.82 -7.23 -0.67 -0.41 120.40 122.76 2dig s VAL 46 Ca 0.26 -1.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 2dig s VAL 46 Cb -0.15 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.66 2dig s VAL 46 CO 0.17 -0.16 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.89 2dig s LYS 47 N -3.98 1.81 0.28 4.82 2.20 0.14 -2.29 119.74 122.72 2dig s LYS 47 Ca 0.41 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.41 2dig s LYS 47 Cb -0.05 -1.53 -0.05 0.00 -1.51 0.00 0.00 37.83 34.69 2dig s LYS 47 CO 0.26 0.18 0.54 0.71 -0.36 0.00 0.00 175.35 176.68 2dig s TYR 48 N 0.22 3.48 0.13 4.03 1.51 0.54 -1.16 117.35 126.09 2dig s TYR 48 Ca -0.07 0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 56.29 2dig s TYR 48 Cb -0.13 -2.08 -0.09 0.00 -0.11 0.00 0.00 41.96 39.55 2dig s TYR 48 CO 0.03 0.19 1.51 -0.22 -1.11 0.00 0.00 175.55 175.95 2dig h LYS 49 N 1.71 -0.27 -1.13 -0.62 3.64 -1.90 0.32 116.57 118.32 2dig h LYS 49 Ca -0.48 0.02 0.40 0.00 -1.27 0.00 0.00 60.65 59.33 2dig h LYS 49 Cb 1.19 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.92 2dig h LYS 49 CO 0.66 -0.18 0.67 -0.44 -2.27 0.00 0.00 179.45 177.90 2dig h ASP 50 N -0.28 0.34 0.00 4.20 3.32 -1.96 -3.43 116.42 118.61 2dig h ASP 50 Ca 0.09 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2dig h ASP 50 Cb 0.51 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2dig h ASP 50 CO -0.64 -0.27 0.00 0.61 -1.72 0.00 0.00 179.24 177.22 2dig n GLY 51 N -1.37 0.98 3.45 2.75 0.00 0.11 -5.15 105.19 105.97 2dig n GLY 51 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.39 2.79 -0.09 2.61 2.01 -1.21 -4.89 115.64 115.47 2dig s THR 52 Ca 0.00 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 60.90 2dig s THR 52 Cb 0.00 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2dig s THR 52 CO 0.00 0.38 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.53 2dig s GLU 53 N -1.32 2.95 0.18 4.92 2.02 -1.26 -0.34 118.70 125.85 2dig s GLU 53 Ca 0.14 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 2dig s GLU 53 Cb -0.10 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 2dig s GLU 53 CO 0.04 0.35 0.19 -0.51 0.02 0.00 0.00 175.26 175.36 2dig s LEU 54 N -0.04 1.17 -0.30 1.80 1.43 -0.97 -4.99 118.68 116.78 2dig s LEU 54 Ca -0.04 -1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 51.86 2dig s LEU 54 Cb -0.14 0.73 0.04 0.00 0.03 0.00 0.00 46.19 46.84 2dig s LEU 54 CO 0.04 -0.86 0.02 -1.61 0.23 0.00 0.00 176.35 174.17 2dig s GLU 55 N -4.07 2.67 -0.07 1.70 2.02 -1.26 -1.67 118.70 118.02 2dig s GLU 55 Ca 0.28 -1.12 0.03 0.00 0.02 0.00 0.00 54.97 54.18 2dig s GLU 55 Cb 0.05 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 2dig s GLU 55 CO 0.06 -0.55 -0.16 -0.51 0.02 0.00 0.00 175.26 174.12 2dig s LEU 56 N 1.34 2.63 0.81 1.80 1.43 0.29 -4.80 118.68 122.17 2dig s LEU 56 Ca -0.02 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 2dig s LEU 56 Cb -0.19 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.58 2dig s LEU 56 CO -0.00 0.29 1.16 -0.54 0.23 0.00 0.00 176.35 177.48 2dig s LYS 57 N -0.39 1.76 0.41 1.70 -0.14 -1.26 -0.24 119.74 121.58 2dig s LYS 57 Ca 0.04 1.55 0.17 0.00 -1.36 0.00 0.00 55.97 56.37 2dig s LYS 57 Cb -0.12 -1.81 1.07 0.00 -1.68 0.00 0.00 37.83 35.28 2dig s LYS 57 CO 0.02 -2.08 1.84 1.49 -0.76 0.00 0.00 175.35 175.86 2dig h GLU 58 N -1.04 0.41 0.08 1.68 4.81 -1.93 -0.64 114.58 117.96 2dig h GLU 58 Ca -0.45 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.55 2dig h GLU 58 Cb 1.27 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.58 2dig h GLU 58 CO 0.47 0.27 -0.87 -0.91 -0.73 0.00 0.00 179.01 177.24 2dig h ASN 59 N 0.43 0.62 -0.61 1.04 4.21 -1.93 -3.24 115.58 116.10 2dig h ASN 59 Ca 0.50 -0.84 0.18 0.00 1.21 0.00 0.00 56.30 57.34 2dig h ASN 59 Cb 1.22 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 38.20 2dig h ASN 59 CO -0.20 1.40 0.45 0.44 -1.29 0.00 0.00 177.43 178.22 2dig h ASP 60 N -0.07 0.00 -3.35 5.81 5.19 -1.48 -3.40 116.42 119.12 2dig h ASP 60 Ca -0.13 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.72 2dig h ASP 60 Cb 1.61 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.07 2dig h ASP 60 CO 0.17 0.00 0.05 -0.63 -3.12 0.00 0.00 179.24 175.71 2dig s ILE 61 N -4.98 4.77 0.05 0.35 1.01 -0.78 -2.21 121.20 119.41 2dig s ILE 61 Ca -0.05 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.05 2dig s ILE 61 Cb 0.20 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 2dig s ILE 61 CO 0.73 0.44 -0.14 -0.54 0.00 0.00 0.00 174.94 175.42 2dig s LYS 62 N -0.41 0.92 0.01 2.79 1.02 0.87 -4.95 119.74 119.98 2dig s LYS 62 Ca 0.33 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.50 2dig s LYS 62 Cb -0.20 -0.94 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 2dig s LYS 62 CO 0.20 0.23 0.00 0.45 -0.92 0.00 0.00 175.35 175.31 2dig s SER 63 N -1.30 0.11 0.00 2.83 0.15 -1.26 -0.59 113.70 113.64 2dig s SER 63 Ca 0.01 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2dig s SER 63 Cb -0.08 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2dig s SER 63 CO 0.02 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dig n GLY 64 N 2.21 2.81 0.25 9.45 0.00 -1.26 -4.87 105.19 113.77 2dig n GLY 64 Ca -0.19 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 2dig n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dig h PRO 65 N 0.00 0.80 -6.35 1.61 0.13 -2.04 -3.45 132.00 122.70 2dig h PRO 65 Ca 0.00 -0.42 -0.46 0.00 -0.87 0.00 0.00 66.00 64.25 2dig h PRO 65 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2dig h PRO 65 CO 0.00 1.05 -0.28 -1.54 -0.23 0.00 0.00 178.00 177.00 2dig s SER 66 N -6.85 5.34 -0.75 1.44 1.04 -1.26 -5.07 113.70 107.58 2dig s SER 66 Ca -0.10 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 55.65 2dig s SER 66 Cb 0.12 -0.47 0.19 0.00 0.10 0.00 0.00 66.02 65.96 2dig s SER 66 CO 0.86 -0.81 0.62 -0.44 0.98 0.00 0.00 173.24 174.46 2dig s SER 67 N -4.31 5.92 0.00 7.02 0.01 -1.26 -4.95 113.70 116.13 2dig s SER 67 Ca 0.52 -2.96 0.00 0.00 1.31 0.00 0.00 55.95 54.82 2dig s SER 67 Cb -0.07 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2dig s SER 67 CO 0.31 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.17