#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eki s SER 2 N 0.00 4.24 0.05 1.61 0.01 -1.26 -5.02 113.70 113.33 2eki s SER 2 Ca 0.00 -0.93 -0.32 0.00 1.31 0.00 0.00 55.95 56.01 2eki s SER 2 Cb 0.00 -1.63 -0.18 0.00 0.21 0.00 0.00 66.02 64.42 2eki s SER 2 CO 0.00 -0.13 1.43 -1.28 0.41 0.00 0.00 173.24 173.67 2eki h SER 3 N 7.98 -0.97 0.00 2.44 0.87 -2.11 -3.46 113.55 118.30 2eki h SER 3 Ca -0.32 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2eki h SER 3 Cb 1.10 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2eki h SER 3 CO 0.57 -0.68 0.00 0.61 -0.53 0.00 0.00 176.83 176.80 2eki n GLY 4 N -1.43 0.63 4.12 5.77 0.00 -1.26 -4.87 105.19 108.14 2eki n GLY 4 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2eki n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eki n SER 5 N 0.00 -0.08 -4.43 1.61 2.88 -1.26 -4.83 113.62 107.51 2eki n SER 5 Ca 0.00 -1.11 -0.44 0.00 -1.33 0.00 0.00 58.87 56.00 2eki n SER 5 Cb 0.00 -1.39 -0.05 0.00 -0.75 0.00 0.00 64.21 62.02 2eki n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2eki s SER 6 N -3.74 6.21 0.35 -3.46 0.01 -1.26 -5.01 113.70 106.79 2eki s SER 6 Ca 0.28 -1.07 0.02 0.00 1.31 0.00 0.00 55.95 56.49 2eki s SER 6 Cb -0.16 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 2eki s SER 6 CO 0.88 -1.15 0.08 0.61 0.41 0.00 0.00 173.24 174.08 2eki n GLY 7 N 5.25 3.49 1.48 3.44 0.00 -1.26 -5.02 105.19 112.56 2eki n GLY 7 Ca -0.06 -2.15 -0.07 0.00 0.00 0.00 0.00 46.02 43.74 2eki n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2eki n TYR 8 N -0.81 0.73 -3.27 1.61 4.11 -1.26 -4.68 117.16 113.59 2eki n TYR 8 Ca -0.08 -1.12 -0.45 0.00 -0.00 0.00 0.00 57.90 56.25 2eki n TYR 8 Cb 0.50 -0.56 0.00 0.00 -0.00 0.00 0.00 39.34 39.28 2eki n TYR 8 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 2eki n LEU 9 N 0.51 5.67 -4.32 -3.48 7.94 -1.26 -5.00 117.00 117.06 2eki n LEU 9 Ca 0.14 -5.05 -0.38 0.00 -1.11 0.00 0.00 56.01 49.61 2eki n LEU 9 Cb 0.66 -1.45 0.02 0.00 0.53 0.00 0.00 43.42 43.18 2eki n LEU 9 CO 0.16 1.39 -0.42 1.17 -1.11 0.00 0.00 177.39 178.58 2eki n LYS 10 N 2.55 0.17 -4.38 1.96 0.00 -1.26 -4.75 118.16 112.45 2eki n LYS 10 Ca 0.25 0.07 -0.34 0.00 0.00 0.00 0.00 58.31 58.29 2eki n LYS 10 Cb 0.38 -1.25 -0.12 0.00 0.00 0.00 0.00 35.03 34.04 2eki n LYS 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2eki s LEU 11 N 3.58 3.29 -0.31 3.14 2.01 -1.26 -2.44 118.68 126.68 2eki s LEU 11 Ca 0.60 -0.11 0.02 0.00 0.01 0.00 0.00 54.13 54.65 2eki s LEU 11 Cb -0.46 -1.79 0.08 0.00 0.01 0.00 0.00 46.19 44.03 2eki s LEU 11 CO 0.63 0.17 0.00 -0.69 1.01 0.00 0.00 176.35 177.47 2eki s VAL 12 N 0.35 2.43 -0.03 -1.59 1.01 -1.07 -4.81 120.40 116.68 2eki s VAL 12 Ca -0.04 -1.96 -0.20 0.00 0.00 0.00 0.00 61.98 59.78 2eki s VAL 12 Cb -0.14 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2eki s VAL 12 CO 0.03 -0.35 0.59 -0.13 0.00 0.00 0.00 175.10 175.23 2eki s ARG 13 N 1.04 4.33 -0.07 2.72 3.00 -1.26 -2.32 118.95 126.39 2eki s ARG 13 Ca 0.02 0.70 0.02 0.00 0.00 0.00 0.00 55.73 56.47 2eki s ARG 13 Cb -0.20 -3.37 0.01 0.00 0.00 0.00 0.00 34.95 31.39 2eki s ARG 13 CO -0.06 0.30 -0.13 0.42 0.00 0.00 0.00 175.30 175.82 2eki s ILE 14 N 0.07 1.23 -0.52 1.52 -1.09 -0.73 0.22 121.20 121.90 2eki s ILE 14 Ca 0.31 -0.53 -0.17 0.00 -2.23 0.00 0.00 60.65 58.02 2eki s ILE 14 Cb -0.18 -1.11 0.09 0.00 -1.58 0.00 0.00 42.46 39.68 2eki s ILE 14 CO 0.16 0.37 0.55 -0.31 -1.23 0.00 0.00 174.94 174.48 2eki s TYR 15 N 0.62 3.13 0.41 3.97 2.02 0.10 -1.93 117.35 125.68 2eki s TYR 15 Ca -0.15 -0.89 -0.26 0.00 -0.37 0.00 0.00 57.07 55.40 2eki s TYR 15 Cb -0.16 -3.58 -0.09 0.00 -0.40 0.00 0.00 41.96 37.74 2eki s TYR 15 CO 0.04 -1.02 1.30 -0.08 -1.57 0.00 0.00 175.55 174.23 2eki s THR 16 N 2.15 2.61 -0.31 -0.71 -1.32 -1.26 -1.76 115.64 115.03 2eki s THR 16 Ca 0.09 0.55 0.02 0.00 -1.21 0.00 0.00 61.69 61.13 2eki s THR 16 Cb -0.24 -3.32 0.08 0.00 -1.51 0.00 0.00 72.50 67.51 2eki s THR 16 CO 0.07 0.08 0.00 -0.75 -2.21 0.00 0.00 174.62 171.82 2eki s LYS 17 N -2.24 1.92 1.15 7.08 2.20 0.19 -2.39 119.74 127.65 2eki s LYS 17 Ca 0.57 -1.61 -0.17 0.00 -0.36 0.00 0.00 55.97 54.39 2eki s LYS 17 Cb -0.38 -3.13 0.26 0.00 -1.51 0.00 0.00 37.83 33.07 2eki s LYS 17 CO 0.49 -0.78 1.11 -1.25 -0.36 0.00 0.00 175.35 174.55 2eki s PRO 18 N 1.04 -0.81 -0.11 4.03 0.04 -1.26 -4.21 135.00 133.72 2eki s PRO 18 Ca 0.02 0.07 -0.23 0.00 0.04 0.00 0.00 61.00 60.90 2eki s PRO 18 Cb -0.20 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 2eki s PRO 18 CO -0.06 -3.47 0.68 -1.59 0.04 0.00 0.00 177.00 172.61 2eki s LYS 19 N -5.29 4.37 0.00 4.56 0.00 -1.26 -4.15 119.74 117.96 2eki s LYS 19 Ca 0.70 0.81 0.00 0.00 0.00 0.00 0.00 55.97 57.47 2eki s LYS 19 Cb -0.12 -3.48 0.00 0.00 0.00 0.00 0.00 37.83 34.23 2eki s LYS 19 CO 0.56 -0.03 0.00 0.41 0.00 0.00 0.00 175.35 176.30 2eki n GLY 20 N 3.28 1.44 3.96 0.59 0.00 -1.26 -4.94 105.19 108.26 2eki n GLY 20 Ca -0.01 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 2eki n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eki s GLN 21 N 0.00 2.60 0.46 1.61 -1.52 -1.26 -5.10 119.66 116.45 2eki s GLN 21 Ca 0.00 -0.63 -0.08 0.00 -1.95 0.00 0.00 55.36 52.69 2eki s GLN 21 Cb 0.00 -2.45 -0.05 0.00 -0.22 0.00 0.00 33.01 30.29 2eki s GLN 21 CO 0.00 -0.71 0.80 -0.51 -0.25 0.00 0.00 175.29 174.62 2eki s LEU 22 N -4.80 3.69 0.23 2.90 1.43 -1.26 -4.25 118.68 116.63 2eki s LEU 22 Ca 0.56 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.43 2eki s LEU 22 Cb -0.10 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 2eki s LEU 22 CO 0.39 -0.52 1.28 -2.16 0.23 0.00 0.00 176.35 175.58 2eki s PRO 23 N -4.34 4.41 0.58 1.29 0.04 -1.26 -4.47 135.00 131.26 2eki s PRO 23 Ca 0.50 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.40 2eki s PRO 23 Cb -0.10 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2eki s PRO 23 CO 0.39 -0.18 1.21 -0.51 0.04 0.00 0.00 177.00 177.95 2eki s ASP 24 N 0.04 5.28 0.00 6.66 1.01 -1.01 -4.95 116.67 123.70 2eki s ASP 24 Ca 0.54 2.39 0.00 0.00 0.71 0.00 0.00 52.55 56.19 2eki s ASP 24 Cb -0.36 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 40.97 2eki s ASP 24 CO 0.41 -1.53 0.00 -1.22 0.21 0.00 0.00 175.17 173.04 2eki n TYR 25 N -1.48 0.00 0.08 4.23 4.01 -1.26 -4.43 117.16 118.30 2eki n TYR 25 Ca 0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.75 2eki n TYR 25 Cb 0.49 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.39 2eki n TYR 25 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2eki h THR 26 N 0.00 1.50 -2.13 -0.72 1.03 -2.03 -3.36 112.91 107.21 2eki h THR 26 Ca 0.00 -3.15 -0.63 0.00 -0.01 0.00 0.00 66.41 62.62 2eki h THR 26 Cb 0.55 2.86 -0.39 0.00 -1.07 0.00 0.00 68.15 70.10 2eki h THR 26 CO 0.00 0.89 -0.31 -0.24 -0.01 0.00 0.00 175.52 175.85 2eki n SER 27 N -3.43 5.13 -3.60 0.00 2.88 -1.26 -5.07 113.62 108.27 2eki n SER 27 Ca -0.07 -3.70 -0.30 0.00 -1.33 0.00 0.00 58.87 53.47 2eki n SER 27 Cb 1.00 -0.66 0.25 0.00 -0.75 0.00 0.00 64.21 64.05 2eki n SER 27 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2eki s PRO 28 N -3.65 -1.61 -0.20 -1.46 0.04 -1.26 -4.95 135.00 121.90 2eki s PRO 28 Ca 0.47 -0.20 -0.05 0.00 0.04 0.00 0.00 61.00 61.26 2eki s PRO 28 Cb 0.29 -1.56 -0.02 0.00 0.04 0.00 0.00 34.50 33.25 2eki s PRO 28 CO -0.16 -3.94 -0.01 0.54 0.04 0.00 0.00 177.00 173.47 2eki s VAL 29 N -3.02 3.88 -0.50 -0.36 0.11 -0.81 -4.97 120.40 114.74 2eki s VAL 29 Ca 0.72 -0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 2eki s VAL 29 Cb -0.07 -2.75 0.08 0.00 -1.53 0.00 0.00 36.38 32.11 2eki s VAL 29 CO 0.56 0.43 0.47 -0.69 -3.33 0.00 0.00 175.10 172.54 2eki s VAL 30 N 0.99 5.15 -0.05 2.04 1.01 -1.26 -1.77 120.40 126.50 2eki s VAL 30 Ca 0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 2eki s VAL 30 Cb -0.14 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2eki s VAL 30 CO 0.02 -0.70 0.03 -0.76 0.00 0.00 0.00 175.10 173.69 2eki s LEU 31 N 1.85 3.69 0.02 3.92 1.43 -0.98 -4.99 118.68 123.62 2eki s LEU 31 Ca 0.06 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 2eki s LEU 31 Cb -0.24 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 2eki s LEU 31 CO 0.07 0.33 1.43 -2.16 0.23 0.00 0.00 176.35 176.26 2eki s PRO 32 N -1.24 4.27 0.11 1.29 0.04 -1.26 -2.59 135.00 135.62 2eki s PRO 32 Ca 0.17 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 2eki s PRO 32 Cb -0.12 -3.55 -0.08 0.00 0.04 0.00 0.00 34.50 30.80 2eki s PRO 32 CO 0.07 -0.59 1.43 -0.92 0.04 0.00 0.00 177.00 177.04 2eki h TYR 33 N 7.82 -1.42 -1.09 0.56 3.20 -1.77 0.33 116.97 124.60 2eki h TYR 33 Ca -0.39 0.08 0.38 0.00 3.14 0.00 0.00 58.73 61.94 2eki h TYR 33 Cb 1.18 0.68 -0.11 0.00 1.54 0.00 0.00 36.73 40.03 2eki h TYR 33 CO 0.75 -0.36 0.71 -1.13 -1.64 0.00 0.00 178.16 176.49 2eki n SER 34 N -4.81 0.16 -3.74 -2.11 3.41 -1.26 -2.55 113.62 102.71 2eki n SER 34 Ca -0.01 1.07 -0.30 0.00 -0.26 0.00 0.00 58.87 59.37 2eki n SER 34 Cb 0.25 -0.53 -0.14 0.00 -0.26 0.00 0.00 64.21 63.54 2eki n SER 34 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2eki s ARG 35 N -4.87 1.20 -0.14 4.33 1.81 0.12 -5.08 118.95 116.32 2eki s ARG 35 Ca -0.06 -1.82 -0.02 0.00 -1.72 0.00 0.00 55.73 52.12 2eki s ARG 35 Cb 0.24 -2.35 0.04 0.00 -0.45 0.00 0.00 34.95 32.43 2eki s ARG 35 CO 0.64 -1.11 0.01 0.95 -0.68 0.00 0.00 175.30 175.12 2eki s THR 36 N 0.64 0.51 -0.05 0.02 -4.23 -1.06 -4.04 115.64 107.43 2eki s THR 36 Ca 0.15 -0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 60.12 2eki s THR 36 Cb -0.23 -0.83 0.11 0.00 1.34 0.00 0.00 72.50 72.89 2eki s THR 36 CO -0.06 0.04 0.90 0.42 -0.54 0.00 0.00 174.62 175.38 2eki s THR 37 N 1.89 0.00 0.34 3.99 -4.23 -1.26 -3.88 115.64 112.49 2eki s THR 37 Ca 0.02 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.66 2eki s THR 37 Cb -0.15 -1.00 0.33 0.00 1.34 0.00 0.00 72.50 73.02 2eki s THR 37 CO -0.07 0.00 1.70 0.58 -0.54 0.00 0.00 174.62 176.29 2eki h VAL 38 N 2.24 0.43 -0.24 2.29 2.07 -1.15 0.19 116.25 122.07 2eki h VAL 38 Ca -0.21 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 2eki h VAL 38 Cb 1.21 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2eki h VAL 38 CO 0.32 0.08 -0.22 1.05 0.02 0.00 0.00 177.57 178.81 2eki h GLU 39 N 0.45 0.57 -1.00 1.57 4.11 -1.78 -2.73 114.58 115.76 2eki h GLU 39 Ca 0.68 -0.29 0.14 0.00 0.07 0.00 0.00 59.36 59.96 2eki h GLU 39 Cb 1.48 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.64 2eki h GLU 39 CO -0.51 0.88 0.62 -0.44 0.07 0.00 0.00 179.01 179.63 2eki h ASP 40 N 0.27 0.88 -0.02 3.06 3.32 -0.97 -1.98 116.42 120.97 2eki h ASP 40 Ca 0.04 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2eki h ASP 40 Cb 0.77 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 2eki h ASP 40 CO 0.06 0.42 -0.01 0.15 -1.72 0.00 0.00 179.24 178.14 2eki h PHE 41 N 0.92 0.05 -1.09 4.55 3.04 -1.29 -2.93 116.94 120.19 2eki h PHE 41 Ca 0.53 -0.01 0.32 0.00 3.98 0.00 0.00 57.97 62.78 2eki h PHE 41 Cb 0.63 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.08 2eki h PHE 41 CO -0.01 0.42 0.81 0.00 -2.02 0.00 0.00 178.31 177.51 2eki h MET 43 N 0.00 0.96 -0.78 0.00 2.86 -1.27 -1.74 114.93 114.97 2eki h MET 43 Ca 0.52 -0.28 0.18 0.00 -2.06 0.00 0.00 59.70 58.06 2eki h MET 43 Cb 2.12 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 33.64 2eki h MET 43 CO -0.01 0.94 0.53 0.87 1.06 0.00 0.00 176.91 180.30 2eki h LYS 44 N 0.85 0.28 0.00 1.72 1.79 -0.30 -3.19 116.57 117.71 2eki h LYS 44 Ca 0.16 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2eki h LYS 44 Cb 0.48 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2eki h LYS 44 CO 0.02 0.19 0.00 -0.89 -1.08 0.00 0.00 179.45 177.69 2eki n ILE 45 N -4.44 0.00 -3.67 1.86 2.08 -1.02 -4.96 119.36 109.21 2eki n ILE 45 Ca 0.15 0.48 -0.19 0.00 0.56 0.00 0.00 62.75 63.76 2eki n ILE 45 Cb 0.64 -1.46 -0.17 0.00 -0.75 0.00 0.00 39.64 37.90 2eki n ILE 45 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2eki s HIS 46 N -0.97 -0.03 0.57 1.39 2.46 -0.68 -5.01 115.29 113.02 2eki s HIS 46 Ca 0.00 0.38 0.31 0.00 0.47 0.00 0.00 55.06 56.22 2eki s HIS 46 Cb 0.00 -0.40 1.44 0.00 -0.13 0.00 0.00 32.58 33.48 2eki s HIS 46 CO 0.00 -0.23 1.80 0.87 -2.47 0.00 0.00 174.74 174.71 2eki h LYS 47 N 8.41 0.00 -0.87 2.88 1.57 -1.77 0.57 116.57 127.35 2eki h LYS 47 Ca -0.12 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.11 2eki h LYS 47 Cb 1.12 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.14 2eki h LYS 47 CO 0.15 0.00 0.46 0.09 -0.57 0.00 0.00 179.45 179.58 2eki n ASN 48 N -3.88 5.53 -0.10 0.86 3.02 -1.26 -4.48 115.26 114.95 2eki n ASN 48 Ca 0.17 -3.74 -0.23 0.00 -0.03 0.00 0.00 54.58 50.75 2eki n ASN 48 Cb 0.99 -0.81 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2eki n LEU 49 N -0.98 2.46 -0.27 3.41 7.94 0.20 -4.28 117.00 125.47 2eki n LEU 49 Ca 0.55 0.15 0.33 0.00 -1.11 0.00 0.00 56.01 55.93 2eki n LEU 49 Cb 1.03 -0.93 0.73 0.00 0.53 0.00 0.00 43.42 44.77 2eki n LEU 49 CO 0.61 0.72 1.30 -0.29 -1.11 0.00 0.00 177.39 178.63 2eki h ILE 50 N -0.42 0.35 -0.39 1.96 6.09 -1.79 0.77 117.51 124.08 2eki h ILE 50 Ca -0.56 0.00 -0.09 0.00 -1.37 0.00 0.00 64.86 62.85 2eki h ILE 50 Cb 1.76 0.39 -0.02 0.00 0.47 0.00 0.00 36.82 39.42 2eki h ILE 50 CO -0.17 0.00 -0.12 0.11 -3.07 0.00 0.00 178.15 174.90 2eki h LYS 51 N 0.00 0.69 0.10 2.19 1.57 -1.89 -3.17 116.57 116.06 2eki h LYS 51 Ca 0.52 -0.22 -0.33 0.00 -1.87 0.00 0.00 60.65 58.75 2eki h LYS 51 Cb 2.21 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.44 2eki h LYS 51 CO -0.01 0.78 -1.80 0.93 -0.57 0.00 0.00 179.45 178.79 2eki h GLU 52 N 0.62 0.20 -5.45 3.15 4.39 0.18 -3.48 114.58 114.19 2eki h GLU 52 Ca 0.11 -0.35 -0.64 0.00 0.34 0.00 0.00 59.36 58.82 2eki h GLU 52 Cb 0.56 0.13 0.08 0.00 -0.10 0.00 0.00 28.75 29.43 2eki h GLU 52 CO 0.04 1.02 -0.32 0.34 -1.16 0.00 0.00 179.01 178.92 2eki n PHE 53 N -3.37 -0.14 -0.01 4.33 7.35 0.52 0.12 117.46 126.26 2eki n PHE 53 Ca -0.24 0.91 -0.04 0.00 -0.76 0.00 0.00 57.45 57.31 2eki n PHE 53 Cb 1.05 -1.82 -0.01 0.00 0.35 0.00 0.00 39.48 39.05 2eki n PHE 53 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2eki n LYS 54 N 1.04 0.09 -3.76 -4.13 4.81 0.11 -4.61 118.16 111.71 2eki n LYS 54 Ca 0.17 0.04 -0.09 0.00 -0.87 0.00 0.00 58.31 57.56 2eki n LYS 54 Cb 0.18 -0.65 -0.02 0.00 0.02 0.00 0.00 35.03 34.56 2eki n LYS 54 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2eki s TYR 55 N -2.08 -0.22 -0.01 5.64 1.13 -1.18 -4.93 117.35 115.69 2eki s TYR 55 Ca -0.06 -0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 2eki s TYR 55 Cb 0.02 0.61 0.01 0.00 -1.10 0.00 0.00 41.96 41.50 2eki s TYR 55 CO 0.07 -1.10 0.00 0.00 -2.51 0.00 0.00 175.55 172.01 2eki s ALA 56 N -3.88 0.14 -0.46 9.51 0.00 -1.15 -1.90 121.76 124.01 2eki s ALA 56 Ca 0.09 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 2eki s ALA 56 Cb -0.04 -0.14 0.09 0.00 0.00 0.00 0.00 23.12 23.04 2eki s ALA 56 CO 0.02 -0.02 0.34 -0.51 0.00 0.00 0.00 175.76 175.58 2eki s LEU 57 N 0.44 5.53 0.18 0.00 1.43 -1.17 -1.86 118.68 123.22 2eki s LEU 57 Ca -0.04 -1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 51.28 2eki s LEU 57 Cb -0.06 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 44.02 2eki s LEU 57 CO -0.01 -0.64 0.65 -0.69 0.23 0.00 0.00 176.35 175.89 2eki s VAL 58 N 1.48 4.68 -0.42 -1.59 1.01 -1.19 -2.52 120.40 121.86 2eki s VAL 58 Ca 0.04 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.16 2eki s VAL 58 Cb -0.25 -3.82 0.13 0.00 0.00 0.00 0.00 36.38 32.44 2eki s VAL 58 CO 0.03 0.26 0.22 0.26 0.00 0.00 0.00 175.10 175.86 2eki s TRP 59 N -1.46 1.95 0.00 5.22 0.51 -0.03 -3.53 118.94 121.60 2eki s TRP 59 Ca 0.40 -2.35 0.00 0.00 -2.12 0.00 0.00 56.10 52.03 2eki s TRP 59 Cb -0.16 -1.87 0.00 0.00 -0.81 0.00 0.00 33.47 30.63 2eki s TRP 59 CO 0.20 -0.80 0.00 0.41 -0.51 0.00 0.00 176.95 176.26 2eki n GLY 60 N 3.70 0.87 0.21 0.98 0.00 -1.26 -3.91 105.19 105.78 2eki n GLY 60 Ca 0.07 -0.84 0.19 0.00 0.00 0.00 0.00 46.02 45.45 2eki n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eki n LEU 61 N 0.00 0.19 -0.26 0.99 7.99 -1.26 0.06 117.00 124.71 2eki n LEU 61 Ca 0.00 1.09 0.03 0.00 -0.01 0.00 0.00 56.01 57.12 2eki n LEU 61 Cb 0.00 -0.51 0.09 0.00 -0.11 0.00 0.00 43.42 42.88 2eki n LEU 61 CO 0.00 -1.20 0.46 -1.54 -1.51 0.00 0.00 177.39 173.60 2eki n SER 62 N -4.53 -0.29 -4.82 -1.43 3.41 -1.26 -4.24 113.62 100.45 2eki n SER 62 Ca 0.24 1.22 -0.30 0.00 -0.26 0.00 0.00 58.87 59.77 2eki n SER 62 Cb 0.80 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2eki n SER 62 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2eki s VAL 63 N -5.86 4.80 -0.08 -3.33 -7.23 0.11 -5.04 120.40 103.76 2eki s VAL 63 Ca -0.10 -0.69 -0.23 0.00 -1.81 0.00 0.00 61.98 59.15 2eki s VAL 63 Cb 0.18 -3.34 -0.19 0.00 0.56 0.00 0.00 36.38 33.59 2eki s VAL 63 CO 0.55 0.10 0.82 0.11 -0.31 0.00 0.00 175.10 176.36 2eki h LYS 64 N 3.09 -0.07 -4.83 4.82 1.79 -1.84 -3.44 116.57 116.10 2eki h LYS 64 Ca -0.46 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.35 2eki h LYS 64 Cb 1.17 0.02 -0.37 0.00 -1.58 0.00 0.00 32.23 31.46 2eki h LYS 64 CO 0.68 0.54 -0.81 -1.01 -1.08 0.00 0.00 179.45 177.78 2eki s HIS 65 N -2.92 3.09 0.18 -1.35 3.76 -1.26 -5.07 115.29 111.73 2eki s HIS 65 Ca -0.14 -2.16 0.06 0.00 -0.15 0.00 0.00 55.06 52.66 2eki s HIS 65 Cb -0.01 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2eki s HIS 65 CO 0.54 -0.86 0.13 0.54 -0.85 0.00 0.00 174.74 174.25 2eki s ASN 66 N 1.16 5.44 0.28 1.40 2.20 -1.26 -3.59 114.94 120.57 2eki s ASN 66 Ca -0.07 -0.19 -0.29 0.00 -0.94 0.00 0.00 52.86 51.37 2eki s ASN 66 Cb -0.19 -1.39 -0.10 0.00 -2.00 0.00 0.00 41.25 37.58 2eki s ASN 66 CO -0.06 0.05 1.25 -2.16 -2.94 0.00 0.00 177.10 173.24 2eki s PRO 67 N -3.25 4.44 -0.10 3.55 0.04 -1.26 -5.13 135.00 133.29 2eki s PRO 67 Ca 0.31 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.41 2eki s PRO 67 Cb -0.09 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 2eki s PRO 67 CO 0.23 -0.10 -0.11 -1.14 0.04 0.00 0.00 177.00 175.93 2eki s GLN 68 N -1.22 3.06 0.03 4.56 0.74 -1.23 -5.00 119.66 120.61 2eki s GLN 68 Ca 0.50 -0.64 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 2eki s GLN 68 Cb -0.37 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 2eki s GLN 68 CO 0.45 0.41 1.03 0.21 -0.55 0.00 0.00 175.29 176.85 2eki s LYS 69 N -0.16 4.55 0.25 1.67 2.47 -1.26 -3.16 119.74 124.09 2eki s LYS 69 Ca 0.00 1.51 0.04 0.00 -1.56 0.00 0.00 55.97 55.96 2eki s LYS 69 Cb -0.13 -3.42 -0.05 0.00 -1.46 0.00 0.00 37.83 32.76 2eki s LYS 69 CO 0.03 -0.07 0.01 0.14 0.16 0.00 0.00 175.35 175.62 2eki s VAL 70 N 0.88 1.07 0.00 4.02 -7.23 -0.78 -4.99 120.40 113.37 2eki s VAL 70 Ca 0.53 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2eki s VAL 70 Cb -0.23 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2eki s VAL 70 CO 0.29 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2eki n GLY 71 N -0.47 2.68 0.09 2.32 0.00 -1.26 -2.94 105.19 105.60 2eki n GLY 71 Ca -0.04 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 2eki n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2eki n LYS 72 N 0.00 0.65 0.14 1.61 -0.00 -1.26 -4.07 118.16 115.23 2eki n LYS 72 Ca 0.00 0.27 -0.00 0.00 -0.00 0.00 0.00 58.31 58.58 2eki n LYS 72 Cb 0.00 -1.76 0.17 0.00 -0.00 0.00 0.00 35.03 33.44 2eki n LYS 72 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2eki h ASP 73 N 0.01 0.00 -1.06 -5.58 3.58 -1.97 -2.76 116.42 108.64 2eki h ASP 73 Ca -0.33 0.00 -0.81 0.00 0.42 0.00 0.00 57.03 56.31 2eki h ASP 73 Cb 2.04 0.00 0.04 0.00 1.72 0.00 0.00 39.33 43.12 2eki h ASP 73 CO 0.07 0.60 0.32 1.57 -2.88 0.00 0.00 179.24 178.92 2eki n HIS 74 N -3.66 1.11 -2.90 0.28 -0.00 -1.26 -4.64 115.22 104.16 2eki n HIS 74 Ca -0.01 1.04 -0.40 0.00 0.46 0.00 0.00 57.72 58.82 2eki n HIS 74 Cb 0.63 -2.16 -0.06 0.00 -0.12 0.00 0.00 29.99 28.28 2eki n HIS 74 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2eki s THR 75 N 1.13 4.32 0.15 3.57 2.01 -1.26 -1.38 115.64 124.17 2eki s THR 75 Ca 0.95 1.84 -0.08 0.00 0.31 0.00 0.00 61.69 64.72 2eki s THR 75 Cb -1.32 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 66.93 2eki s THR 75 CO 0.65 0.49 0.43 -0.76 -0.69 0.00 0.00 174.62 174.74 2eki s LEU 76 N -0.98 4.26 0.34 4.42 1.43 -1.25 -4.90 118.68 122.01 2eki s LEU 76 Ca 0.38 0.74 0.09 0.00 -1.03 0.00 0.00 54.13 54.31 2eki s LEU 76 Cb -0.24 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 2eki s LEU 76 CO 0.28 0.05 0.03 -1.61 0.23 0.00 0.00 176.35 175.34 2eki s GLU 77 N -2.48 2.12 0.57 1.70 0.41 -1.26 -4.82 118.70 114.94 2eki s GLU 77 Ca 0.40 -1.72 -0.19 0.00 -0.41 0.00 0.00 54.97 53.05 2eki s GLU 77 Cb -0.12 -1.96 -0.04 0.00 -1.78 0.00 0.00 34.13 30.22 2eki s GLU 77 CO 0.22 0.13 1.20 0.34 -0.49 0.00 0.00 175.26 176.65 2eki s ASP 78 N -3.74 5.37 -1.38 -0.19 -1.08 -1.26 -3.35 116.67 111.04 2eki s ASP 78 Ca 0.35 2.36 -0.02 0.00 -0.52 0.00 0.00 52.55 54.72 2eki s ASP 78 Cb -0.00 -2.60 -0.00 0.00 -1.46 0.00 0.00 42.92 38.86 2eki s ASP 78 CO 0.20 -1.47 0.46 -0.62 0.52 0.00 0.00 175.17 174.26 2eki n GLU 79 N -1.43 -3.22 -4.89 4.34 4.71 0.13 -4.85 120.64 115.44 2eki n GLU 79 Ca 0.13 0.42 -0.27 0.00 -0.01 0.00 0.00 57.16 57.42 2eki n GLU 79 Cb 0.50 -4.52 -0.15 0.00 -1.01 0.00 0.00 31.44 26.26 2eki n GLU 79 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2eki s ASP 80 N -4.31 2.53 -0.21 1.62 1.11 -1.10 -4.97 116.67 111.33 2eki s ASP 80 Ca 0.04 -0.45 -0.09 0.00 0.18 0.00 0.00 52.55 52.23 2eki s ASP 80 Cb -0.01 -0.25 -0.04 0.00 1.07 0.00 0.00 42.92 43.68 2eki s ASP 80 CO 0.88 0.22 0.11 -0.69 1.18 0.00 0.00 175.17 176.88 2eki s VAL 81 N -0.63 5.07 0.04 -1.27 1.01 -1.25 0.03 120.40 123.40 2eki s VAL 81 Ca 0.08 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2eki s VAL 81 Cb -0.08 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2eki s VAL 81 CO 0.00 0.41 -0.16 -0.51 0.00 0.00 0.00 175.10 174.84 2eki s ILE 82 N 0.72 1.26 -0.39 2.22 2.07 -0.72 -0.85 121.20 125.51 2eki s ILE 82 Ca 0.06 -1.08 -0.01 0.00 -1.41 0.00 0.00 60.65 58.21 2eki s ILE 82 Cb -0.13 -1.14 0.11 0.00 0.13 0.00 0.00 42.46 41.44 2eki s ILE 82 CO 0.02 0.03 0.16 -1.58 -1.91 0.00 0.00 174.94 171.66 2eki s GLN 83 N -1.21 1.84 -0.21 3.50 0.74 -1.05 0.55 119.66 123.83 2eki s GLN 83 Ca 0.03 -1.87 -0.29 0.00 0.05 0.00 0.00 55.36 53.28 2eki s GLN 83 Cb -0.08 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 2eki s GLN 83 CO 0.02 -1.03 1.46 0.42 -0.55 0.00 0.00 175.29 175.60 2eki s ILE 84 N 1.02 3.93 -0.19 -2.34 -1.09 -1.26 -3.06 121.20 118.21 2eki s ILE 84 Ca 0.09 1.08 -0.02 0.00 -2.23 0.00 0.00 60.65 59.58 2eki s ILE 84 Cb -0.22 -3.87 -0.00 0.00 -1.58 0.00 0.00 42.46 36.80 2eki s ILE 84 CO -0.05 -0.28 -0.10 -0.69 -1.23 0.00 0.00 174.94 172.58 2eki s VAL 85 N 4.46 2.99 0.30 2.92 1.01 -0.80 -4.95 120.40 126.33 2eki s VAL 85 Ca 0.64 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2eki s VAL 85 Cb -0.23 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.76 2eki s VAL 85 CO 0.24 0.47 0.65 -0.54 0.00 0.00 0.00 175.10 175.92 2eki s LYS 86 N 1.19 3.84 0.02 2.72 1.02 -1.26 0.04 119.74 127.31 2eki s LYS 86 Ca 0.02 0.40 -0.17 0.00 0.02 0.00 0.00 55.97 56.24 2eki s LYS 86 Cb -0.14 -2.53 -0.09 0.00 -0.52 0.00 0.00 37.83 34.54 2eki s LYS 86 CO -0.04 0.19 1.07 0.87 -0.92 0.00 0.00 175.35 176.53 2eki h LYS 87 N 2.10 -0.58 -3.41 1.68 1.57 -0.57 -3.44 116.57 113.91 2eki h LYS 87 Ca -0.47 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 2eki h LYS 87 Cb 1.18 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 33.50 2eki h LYS 87 CO 0.67 -0.39 -0.06 0.45 -0.57 0.00 0.00 179.45 179.54 2eki s SER 88 N -3.30 -0.22 0.00 0.86 0.15 -1.26 -5.06 113.70 104.87 2eki s SER 88 Ca -0.09 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2eki s SER 88 Cb 0.01 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2eki s SER 88 CO 0.27 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.39 2eki n GLY 89 N -0.26 1.26 3.72 9.45 0.00 -1.26 -4.98 105.19 113.13 2eki n GLY 89 Ca -0.13 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2eki n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eki s PRO 90 N 2.16 4.36 -0.01 1.61 0.04 -1.26 -4.97 135.00 136.93 2eki s PRO 90 Ca 0.00 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 2eki s PRO 90 Cb 0.00 -3.24 -0.12 0.00 0.04 0.00 0.00 34.50 31.18 2eki s PRO 90 CO 0.00 -0.35 0.92 0.77 0.04 0.00 0.00 177.00 178.38 2eki h SER 91 N 6.27 -0.68 -0.94 6.66 0.02 -2.07 -3.41 113.55 119.41 2eki h SER 91 Ca -0.43 0.02 -0.50 0.00 -0.84 0.00 0.00 61.79 60.04 2eki h SER 91 Cb 1.21 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 2eki h SER 91 CO 0.83 -0.28 1.66 -1.20 -1.14 0.00 0.00 176.83 176.70 2eki n SER 92 N -5.31 1.53 0.00 3.07 7.64 -1.26 -5.31 113.62 113.98 2eki n SER 92 Ca -0.10 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.63 2eki n SER 92 Cb 0.32 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 2eki n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64