#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 -0.92 -0.29 1.61 0.01 -1.26 -5.15 113.70 107.70 2dig s SER 2 Ca 0.00 1.44 -0.15 0.00 1.31 0.00 0.00 55.95 58.55 2dig s SER 2 Cb 0.00 1.47 0.15 0.00 0.21 0.00 0.00 66.02 67.85 2dig s SER 2 CO 0.00 -0.23 0.94 -0.55 0.41 0.00 0.00 173.24 173.81 2dig s SER 3 N 1.85 -0.59 0.00 2.44 0.15 -1.26 -5.17 113.70 111.12 2dig s SER 3 Ca -0.09 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2dig s SER 3 Cb -0.07 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 2dig s SER 3 CO -0.19 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2dig n GLY 4 N 4.23 -0.96 2.82 9.45 0.00 -1.26 -5.15 105.19 114.31 2dig n GLY 4 Ca -0.15 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.00 0.72 -0.13 1.61 0.15 -1.26 -5.14 113.70 105.66 2dig s SER 5 Ca 0.00 0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.95 2dig s SER 5 Cb 0.00 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.53 2dig s SER 5 CO 0.00 -0.24 -0.15 -0.44 1.20 0.00 0.00 173.24 173.61 2dig s SER 6 N 2.16 2.57 0.00 5.45 0.01 -1.26 -5.11 113.70 117.52 2dig s SER 6 Ca 0.02 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2dig s SER 6 Cb -0.12 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 64.97 2dig s SER 6 CO -0.05 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2dig n GLY 7 N 4.42 1.56 3.56 3.44 0.00 -1.26 -5.04 105.19 111.88 2dig n GLY 7 Ca -0.18 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2dig n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dig n MET 8 N 0.00 1.07 -2.04 1.61 -0.00 -1.26 -4.81 117.12 111.69 2dig n MET 8 Ca 0.00 0.38 -0.33 0.00 -0.00 0.00 0.00 57.70 57.76 2dig n MET 8 Cb 0.00 -1.83 -0.04 0.00 -0.00 0.00 0.00 33.22 31.35 2dig n MET 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2dig s PRO 9 N -1.82 2.59 0.21 3.17 0.04 -1.26 -4.86 135.00 133.06 2dig s PRO 9 Ca 0.63 0.18 -0.19 0.00 0.04 0.00 0.00 61.00 61.65 2dig s PRO 9 Cb -0.60 -4.71 0.18 0.00 0.04 0.00 0.00 34.50 29.41 2dig s PRO 9 CO 0.57 -3.05 1.57 1.03 0.04 0.00 0.00 177.00 177.17 2dig h SER 10 N 13.21 -1.29 -2.02 6.66 0.87 -2.02 -3.41 113.55 125.56 2dig h SER 10 Ca -0.09 0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 2dig h SER 10 Cb 1.09 0.66 -0.20 0.00 -0.44 0.00 0.00 62.40 63.50 2dig h SER 10 CO 1.21 -0.30 -0.08 -0.60 -0.53 0.00 0.00 176.83 176.53 2dig s ARG 11 N -5.97 0.57 0.33 2.24 3.52 -1.26 -5.01 118.95 113.36 2dig s ARG 11 Ca -0.14 1.37 0.24 0.00 -0.13 0.00 0.00 55.73 57.07 2dig s ARG 11 Cb 0.18 0.77 1.10 0.00 -1.56 0.00 0.00 34.95 35.43 2dig s ARG 11 CO 0.70 -0.19 1.14 1.17 -0.81 0.00 0.00 175.30 177.32 2dig n LYS 12 N 5.29 -0.03 -4.06 5.12 4.81 -1.26 -3.79 118.16 124.24 2dig n LYS 12 Ca -0.13 0.91 -0.23 0.00 -0.87 0.00 0.00 58.31 58.00 2dig n LYS 12 Cb 0.50 -1.81 -0.17 0.00 0.02 0.00 0.00 35.03 33.57 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 -4.79 0.98 0.52 5.64 0.08 -1.26 -5.03 117.98 114.12 2dig s PHE 13 Ca -0.05 -0.35 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 2dig s PHE 13 Cb 0.23 -0.88 -0.07 0.00 -0.57 0.00 0.00 43.02 41.73 2dig s PHE 13 CO 0.60 -0.31 1.04 0.00 -0.10 0.00 0.00 175.22 176.46 2dig s ALA 14 N 1.33 2.84 -0.23 5.36 0.00 -1.25 -4.95 121.76 124.87 2dig s ALA 14 Ca -0.04 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 2dig s ALA 14 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2dig s ALA 14 CO -0.03 -0.45 1.92 0.16 0.00 0.00 0.00 175.76 177.36 2dig s ASP 15 N -2.21 5.90 0.00 0.00 -4.77 -1.26 -1.63 116.67 112.70 2dig s ASP 15 Ca 0.66 1.71 0.00 0.00 -3.30 0.00 0.00 52.55 51.62 2dig s ASP 15 Cb -0.16 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 2dig s ASP 15 CO 0.25 -1.63 0.00 0.61 0.70 0.00 0.00 175.17 175.09 2dig n GLY 16 N 5.29 2.82 3.68 2.12 0.00 0.28 -4.98 105.19 114.41 2dig n GLY 16 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.99 1.40 -3.22 1.61 0.00 -0.65 -4.35 120.64 114.45 2dig n GLU 17 Ca 0.00 0.52 -0.44 0.00 0.00 0.00 0.00 57.16 57.24 2dig n GLU 17 Cb 0.00 -2.36 -0.07 0.00 0.00 0.00 0.00 31.44 29.02 2dig n GLU 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2dig s VAL 18 N -1.35 4.97 0.42 6.31 1.01 -1.26 -1.23 120.40 129.26 2dig s VAL 18 Ca 0.71 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2dig s VAL 18 Cb -0.44 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 31.68 2dig s VAL 18 CO 0.50 -0.75 0.01 1.33 0.00 0.00 0.00 175.10 176.19 2dig n VAL 19 N 5.51 0.00 -4.08 2.92 0.24 0.55 -4.94 118.33 118.53 2dig n VAL 19 Ca -0.08 -2.02 -0.34 0.00 -2.04 0.00 0.00 64.34 59.86 2dig n VAL 19 Cb 0.45 0.43 -0.14 0.00 -1.47 0.00 0.00 33.84 33.11 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 -3.52 3.35 0.01 7.34 0.52 -1.20 0.01 118.95 125.46 2dig s ARG 20 Ca 0.01 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.62 2dig s ARG 20 Cb 0.00 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 2dig s ARG 20 CO 0.01 -0.12 -0.12 0.20 0.02 0.00 0.00 175.30 175.29 2dig s GLY 21 N 1.24 1.66 -0.51 -3.53 0.00 -0.90 -2.59 107.32 102.70 2dig s GLY 21 Ca 0.03 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.40 2dig s GLY 21 CO -0.03 -0.94 1.05 -1.60 0.00 0.00 0.00 173.10 171.58 2dig s ARG 22 N -1.34 3.55 0.18 2.90 3.52 -1.02 -1.93 118.95 124.81 2dig s ARG 22 Ca 0.15 0.22 -0.28 0.00 -0.13 0.00 0.00 55.73 55.70 2dig s ARG 22 Cb -0.11 -3.96 -0.17 0.00 -1.56 0.00 0.00 34.95 29.15 2dig s ARG 22 CO 0.06 -1.41 0.55 1.87 -0.81 0.00 0.00 175.30 175.55 2dig n TRP 23 N 7.69 -0.41 0.98 5.12 -0.00 -0.84 -4.76 117.44 125.22 2dig n TRP 23 Ca 0.08 0.96 0.06 0.00 -0.00 0.00 0.00 57.50 58.59 2dig n TRP 23 Cb 0.49 -1.93 0.33 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 -2.85 135.00 138.23 2dig n PRO 24 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2dig n PRO 24 Cb 0.23 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 3.38 0.55 0.00 -1.26 -5.08 105.19 102.77 2dig n GLY 25 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.98 3.10 -0.15 1.61 0.15 -1.13 -5.02 113.70 110.28 2dig s SER 26 Ca 0.00 -0.87 0.02 0.00 0.70 0.00 0.00 55.95 55.80 2dig s SER 26 Cb 0.00 -0.21 0.24 0.00 -1.71 0.00 0.00 66.02 64.34 2dig s SER 26 CO 0.00 0.05 1.29 -1.20 1.20 0.00 0.00 173.24 174.59 2dig n SER 27 N 0.26 3.22 -4.52 5.45 7.64 -1.26 -3.58 113.62 120.83 2dig n SER 27 Ca -0.13 -2.55 -0.31 0.00 1.01 0.00 0.00 58.87 56.90 2dig n SER 27 Cb 0.56 -0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.16 2.86 -0.15 -3.43 1.43 -1.26 -4.99 118.68 111.98 2dig s LEU 28 Ca 0.20 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 2dig s LEU 28 Cb 0.17 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2dig s LEU 28 CO 0.04 0.23 0.08 -0.31 0.23 0.00 0.00 176.35 176.62 2dig s TYR 29 N -1.05 3.35 0.30 0.29 1.51 -1.26 -1.99 117.35 118.50 2dig s TYR 29 Ca 0.17 0.26 0.09 0.00 -1.01 0.00 0.00 57.07 56.58 2dig s TYR 29 Cb -0.11 -1.99 -0.06 0.00 -0.11 0.00 0.00 41.96 39.69 2dig s TYR 29 CO 0.09 0.40 -0.10 0.71 -1.11 0.00 0.00 175.55 175.54 2dig s TYR 30 N -0.27 2.17 -0.46 2.71 2.02 -0.81 -4.87 117.35 117.83 2dig s TYR 30 Ca 0.09 -0.55 -0.28 0.00 -0.37 0.00 0.00 57.07 55.96 2dig s TYR 30 Cb -0.12 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.26 2dig s TYR 30 CO 0.01 0.48 1.68 -2.00 -1.57 0.00 0.00 175.55 174.15 2dig s GLU 31 N -3.64 3.19 0.15 -0.62 2.12 -1.26 -2.12 118.70 116.52 2dig s GLU 31 Ca 0.30 0.95 0.08 0.00 0.36 0.00 0.00 54.97 56.67 2dig s GLU 31 Cb 0.01 -4.20 -0.04 0.00 0.26 0.00 0.00 34.13 30.16 2dig s GLU 31 CO 0.14 -2.05 -0.18 0.14 -0.54 0.00 0.00 175.26 172.78 2dig s VAL 32 N 7.05 1.72 0.07 3.70 -7.23 0.10 -4.33 120.40 121.48 2dig s VAL 32 Ca 0.68 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2dig s VAL 32 Cb -0.16 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2dig s VAL 32 CO 0.29 -0.32 0.06 -0.70 -0.31 0.00 0.00 175.10 174.11 2dig s GLU 33 N -2.72 2.80 -0.18 4.82 2.12 -0.86 -0.33 118.70 124.36 2dig s GLU 33 Ca 0.14 -0.71 -0.25 0.00 0.36 0.00 0.00 54.97 54.51 2dig s GLU 33 Cb -0.06 -2.69 -0.02 0.00 0.26 0.00 0.00 34.13 31.63 2dig s GLU 33 CO 0.06 0.57 0.81 0.42 -0.54 0.00 0.00 175.26 176.57 2dig s ILE 34 N -1.34 4.90 -0.25 -3.70 -1.09 -0.37 -1.39 121.20 117.95 2dig s ILE 34 Ca 0.28 1.57 -0.15 0.00 -2.23 0.00 0.00 60.65 60.12 2dig s ILE 34 Cb -0.12 -4.11 -0.11 0.00 -1.58 0.00 0.00 42.46 36.54 2dig s ILE 34 CO 0.20 0.03 -0.30 0.18 -1.23 0.00 0.00 174.94 173.82 2dig n LEU 35 N 5.23 1.94 0.00 2.97 4.77 -0.21 0.10 117.00 131.81 2dig n LEU 35 Ca 0.04 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.30 2dig n LEU 35 Cb 0.49 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2dig n LEU 35 CO 0.48 0.36 0.25 -0.24 -1.33 0.00 0.00 177.39 176.90 2dig n SER 36 N -4.32 -1.21 -3.86 -1.43 2.88 -1.19 -4.72 113.62 99.78 2dig n SER 36 Ca -0.44 -2.06 -0.09 0.00 -1.33 0.00 0.00 58.87 54.95 2dig n SER 36 Cb 0.78 2.08 -0.06 0.00 -0.75 0.00 0.00 64.21 66.26 2dig n SER 36 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2dig s HIS 37 N -4.39 0.18 0.27 0.66 2.46 -1.26 -2.68 115.29 110.53 2dig s HIS 37 Ca 0.13 -0.56 0.02 0.00 0.47 0.00 0.00 55.06 55.12 2dig s HIS 37 Cb -0.02 0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.40 2dig s HIS 37 CO 0.09 -0.68 0.07 -0.51 -2.47 0.00 0.00 174.74 171.24 2dig s ASP 38 N -2.90 1.58 -0.07 9.88 1.11 -1.25 -4.99 116.67 120.03 2dig s ASP 38 Ca 0.10 -1.34 0.01 0.00 0.18 0.00 0.00 52.55 51.50 2dig s ASP 38 Cb 0.03 0.08 -0.05 0.00 1.07 0.00 0.00 42.92 44.05 2dig s ASP 38 CO -0.06 -0.66 -0.06 -0.24 1.18 0.00 0.00 175.17 175.34 2dig n SER 39 N -0.50 3.48 0.31 0.27 2.88 -1.26 -3.82 113.62 114.98 2dig n SER 39 Ca -0.02 -0.04 -0.14 0.00 -1.33 0.00 0.00 58.87 57.35 2dig n SER 39 Cb 0.66 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.96 2dig n SER 39 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dig h THR 40 N 0.00 0.17 0.00 2.46 2.02 -2.01 -3.29 112.91 112.26 2dig h THR 40 Ca -0.15 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2dig h THR 40 Cb 1.24 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2dig h THR 40 CO -0.02 0.03 -0.69 -1.54 0.37 0.00 0.00 175.52 173.66 2dig n SER 41 N -5.34 0.62 -4.16 4.18 3.41 -1.26 -4.96 113.62 106.11 2dig n SER 41 Ca -0.11 -0.33 -0.34 0.00 -0.26 0.00 0.00 58.87 57.83 2dig n SER 41 Cb 0.35 0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 2dig n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dig n GLN 42 N -1.64 -3.30 -3.69 4.33 6.02 -1.24 -4.92 117.38 112.94 2dig n GLN 42 Ca 0.04 0.39 -0.38 0.00 -0.01 0.00 0.00 57.00 57.04 2dig n GLN 42 Cb 0.36 -5.00 -0.12 0.00 1.02 0.00 0.00 30.24 26.51 2dig n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dig s LEU 43 N -7.22 4.08 -0.17 1.08 1.43 -1.26 -3.59 118.68 113.02 2dig s LEU 43 Ca 0.60 -0.63 -0.28 0.00 -1.03 0.00 0.00 54.13 52.79 2dig s LEU 43 Cb -0.32 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 2dig s LEU 43 CO 0.92 -0.21 0.98 -0.31 0.23 0.00 0.00 176.35 177.95 2dig s TYR 44 N 1.57 3.42 -0.58 0.29 1.51 0.55 -3.91 117.35 120.20 2dig s TYR 44 Ca 0.04 1.46 -0.23 0.00 -1.01 0.00 0.00 57.07 57.33 2dig s TYR 44 Cb -0.17 -3.18 0.06 0.00 -0.11 0.00 0.00 41.96 38.56 2dig s TYR 44 CO 0.05 -0.33 0.89 0.99 -1.11 0.00 0.00 175.55 176.05 2dig s THR 45 N 2.50 4.45 0.14 -0.71 2.01 -1.09 -0.70 115.64 122.23 2dig s THR 45 Ca 0.44 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.40 2dig s THR 45 Cb -0.17 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.76 2dig s THR 45 CO 0.12 -1.18 0.10 0.68 -0.69 0.00 0.00 174.62 173.65 2dig s VAL 46 N 3.75 4.39 -0.11 3.82 -7.23 -0.81 -1.04 120.40 123.17 2dig s VAL 46 Ca 0.25 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 2dig s VAL 46 Cb -0.15 -3.20 -0.00 0.00 0.56 0.00 0.00 36.38 33.59 2dig s VAL 46 CO 0.15 -0.03 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.96 2dig s LYS 47 N -2.83 3.16 0.29 4.82 2.20 -0.49 -1.79 119.74 125.10 2dig s LYS 47 Ca 0.30 -0.81 -0.07 0.00 -0.36 0.00 0.00 55.97 55.02 2dig s LYS 47 Cb -0.11 -2.42 -0.06 0.00 -1.51 0.00 0.00 37.83 33.73 2dig s LYS 47 CO 0.22 0.18 0.60 0.71 -0.36 0.00 0.00 175.35 176.70 2dig s TYR 48 N 0.37 3.46 0.01 4.03 1.51 0.44 -2.03 117.35 125.14 2dig s TYR 48 Ca -0.16 0.79 -0.02 0.00 -1.01 0.00 0.00 57.07 56.67 2dig s TYR 48 Cb -0.17 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 2dig s TYR 48 CO 0.07 0.15 0.86 1.17 -1.11 0.00 0.00 175.55 176.69 2dig n LYS 49 N -0.77 -0.03 -0.29 -0.62 4.81 -1.26 0.13 118.16 120.13 2dig n LYS 49 Ca -0.00 0.86 0.27 0.00 -0.87 0.00 0.00 58.31 58.57 2dig n LYS 49 Cb 0.53 -1.29 0.48 0.00 0.02 0.00 0.00 35.03 34.78 2dig n LYS 49 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2dig n ASP 50 N -3.02 0.23 0.00 3.14 2.03 -1.26 -4.67 116.55 112.99 2dig n ASP 50 Ca 0.00 1.19 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2dig n ASP 50 Cb 0.02 -0.58 0.00 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 -1.28 1.29 3.61 0.27 0.00 0.35 -5.13 105.19 104.31 2dig n GLY 51 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 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 4.30 -0.22 2.61 2.01 -1.17 -4.86 115.64 116.30 2dig s THR 52 Ca 0.00 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 2dig s THR 52 Cb 0.00 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 2dig s THR 52 CO 0.00 0.53 0.00 -1.61 -0.69 0.00 0.00 174.62 172.85 2dig s GLU 53 N -0.13 3.54 0.34 4.92 2.02 -1.26 -0.42 118.70 127.71 2dig s GLU 53 Ca 0.04 -0.55 0.04 0.00 0.02 0.00 0.00 54.97 54.52 2dig s GLU 53 Cb -0.13 -3.11 -0.06 0.00 0.10 0.00 0.00 34.13 30.93 2dig s GLU 53 CO 0.02 -0.12 0.06 -0.51 0.02 0.00 0.00 175.26 174.74 2dig s LEU 54 N 1.33 2.18 -0.23 1.80 1.43 -0.74 -4.97 118.68 119.47 2dig s LEU 54 Ca 0.04 -1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 51.71 2dig s LEU 54 Cb -0.15 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 45.72 2dig s LEU 54 CO 0.01 -0.64 -0.07 -1.61 0.23 0.00 0.00 176.35 174.27 2dig s GLU 55 N -3.87 2.98 -0.09 1.70 2.02 -1.26 -1.92 118.70 118.26 2dig s GLU 55 Ca 0.35 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.48 2dig s GLU 55 Cb 0.08 -2.95 0.01 0.00 0.10 0.00 0.00 34.13 31.38 2dig s GLU 55 CO 0.15 -0.33 -0.14 -0.51 0.02 0.00 0.00 175.26 174.45 2dig s LEU 56 N 1.36 1.68 1.10 1.80 1.43 0.12 -4.85 118.68 121.31 2dig s LEU 56 Ca 0.02 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2dig s LEU 56 Cb -0.16 -1.00 0.20 0.00 0.03 0.00 0.00 46.19 45.26 2dig s LEU 56 CO -0.05 0.02 0.75 0.29 0.23 0.00 0.00 176.35 177.58 2dig n LYS 57 N 4.09 -1.70 0.14 1.70 5.02 -1.26 -0.33 118.16 125.82 2dig n LYS 57 Ca -0.20 -0.46 0.14 0.00 -2.02 0.00 0.00 58.31 55.77 2dig n LYS 57 Cb 0.51 -2.07 0.67 0.00 -0.02 0.00 0.00 35.03 34.13 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 -2.30 0.00 0.11 1.97 4.81 -1.91 -1.45 114.58 115.81 2dig h GLU 58 Ca -0.55 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.39 2dig h GLU 58 Cb 1.32 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.73 2dig h GLU 58 CO 0.44 0.00 -1.22 -0.91 -0.73 0.00 0.00 179.01 176.59 2dig h ASN 59 N 0.00 0.84 0.18 1.04 2.35 -1.92 -3.16 115.58 114.92 2dig h ASN 59 Ca 0.12 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 2dig h ASN 59 Cb 0.48 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2dig h ASN 59 CO -0.00 1.58 0.00 0.44 -1.65 0.00 0.00 177.43 177.79 2dig h ASP 60 N 0.27 0.00 -3.48 5.81 5.19 -1.58 -3.41 116.42 119.22 2dig h ASP 60 Ca -0.18 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.56 2dig h ASP 60 Cb 1.89 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 41.22 2dig h ASP 60 CO 0.23 0.00 -0.66 -0.63 -3.12 0.00 0.00 179.24 175.06 2dig s ILE 61 N -3.74 3.96 -0.13 0.35 1.01 -1.03 -2.43 121.20 119.18 2dig s ILE 61 Ca -0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 2dig s ILE 61 Cb 0.09 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.94 2dig s ILE 61 CO 0.33 0.59 0.34 -1.59 0.00 0.00 0.00 174.94 174.60 2dig s LYS 62 N -0.66 0.39 0.23 2.79 -2.85 -1.07 -4.91 119.74 113.67 2dig s LYS 62 Ca 0.10 0.49 0.06 0.00 -1.00 0.00 0.00 55.97 55.63 2dig s LYS 62 Cb -0.12 0.17 -0.05 0.00 -2.06 0.00 0.00 37.83 35.77 2dig s LYS 62 CO 0.02 -0.06 -0.08 0.45 0.10 0.00 0.00 175.35 175.78 2dig s SER 63 N 0.30 2.44 0.00 0.03 0.15 -1.26 -3.23 113.70 112.13 2dig s SER 63 Ca -0.01 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.52 2dig s SER 63 Cb -0.03 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2dig s SER 63 CO -0.01 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2dig n GLY 64 N -0.45 -0.52 0.27 9.45 0.00 -1.26 -4.56 105.19 108.12 2dig n GLY 64 Ca -0.07 -1.72 0.16 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 -6.54 1.61 0.13 -2.06 -3.43 132.00 121.70 2dig h PRO 65 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 2dig h PRO 65 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2dig h PRO 65 CO 0.00 0.04 0.09 0.45 -0.23 0.00 0.00 178.00 178.34 2dig s SER 66 N -5.76 7.04 -0.07 1.44 0.15 -1.26 -5.00 113.70 110.24 2dig s SER 66 Ca 0.01 1.38 -0.05 0.00 0.70 0.00 0.00 55.95 57.99 2dig s SER 66 Cb 0.09 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 2dig s SER 66 CO 0.55 0.05 -0.12 -0.24 1.20 0.00 0.00 173.24 174.67 2dig n SER 67 N 0.76 0.90 0.00 5.45 2.88 -1.26 -4.74 113.62 117.60 2dig n SER 67 Ca -0.03 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2dig n SER 67 Cb 0.51 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2dig n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42