#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2a s ARG 5 N 0.00 4.76 0.00 1.64 3.52 -1.26 -4.95 118.95 122.67 1c2a s ARG 5 Ca 0.00 1.62 0.25 0.00 -0.13 0.00 0.00 55.73 57.47 1c2a s ARG 5 Cb 0.00 -3.24 1.30 0.00 -1.56 0.00 0.00 34.95 31.44 1c2a s ARG 5 CO 0.00 0.38 1.83 -2.30 -0.81 0.00 0.00 175.30 174.41 1c2a n PRO 6 N 1.39 0.43 -3.95 5.12 -0.02 -1.26 -4.74 135.00 131.97 1c2a n PRO 6 Ca -0.02 0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.41 1c2a n PRO 6 Cb 0.46 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.32 1c2a n PRO 6 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1c2a s TRP 7 N -2.47 0.20 0.10 6.00 -2.14 -1.26 -3.47 118.94 115.91 1c2a s TRP 7 Ca 0.26 -0.40 -0.08 0.00 2.66 0.00 0.00 56.10 58.53 1c2a s TRP 7 Cb 0.17 -0.15 -0.16 0.00 -3.10 0.00 0.00 33.47 30.23 1c2a s TRP 7 CO 0.36 -0.15 1.24 1.57 -2.66 0.00 0.00 176.95 177.32 1c2a h LYS 8 N 4.99 0.52 -3.80 3.25 5.09 -1.95 -3.48 116.57 121.20 1c2a h LYS 8 Ca -0.30 -0.58 -0.09 0.00 0.09 0.00 0.00 60.65 59.77 1c2a h LYS 8 Cb 1.21 0.17 -0.12 0.00 0.10 0.00 0.00 32.23 33.59 1c2a h LYS 8 CO 0.43 1.21 -0.26 0.00 -2.09 0.00 0.00 179.45 178.74 1c2a h ASP 11 N 7.82 0.54 -2.48 0.00 3.32 -1.91 -3.38 116.42 120.33 1c2a h ASP 11 Ca -0.23 -0.53 -0.60 0.00 0.02 0.00 0.00 57.03 55.68 1c2a h ASP 11 Cb 1.13 -0.17 -0.42 0.00 0.22 0.00 0.00 39.33 40.10 1c2a h ASP 11 CO 0.20 1.38 -0.65 -0.62 -1.72 0.00 0.00 179.24 177.83 1c2a n GLU 12 N -3.63 2.04 -3.05 3.56 1.02 -1.26 -4.98 120.64 114.34 1c2a n GLU 12 Ca -0.09 -4.42 -0.41 0.00 -0.02 0.00 0.00 57.16 52.22 1c2a n GLU 12 Cb 0.98 -2.15 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 1c2a n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1c2a s ALA 13 N -1.91 3.61 -0.44 0.62 0.00 -1.26 -0.41 121.76 121.96 1c2a s ALA 13 Ca 0.34 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 1c2a s ALA 13 Cb 0.08 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.16 1c2a s ALA 13 CO -0.08 -0.80 0.35 0.08 0.00 0.00 0.00 175.76 175.31 1c2a s VAL 14 N 2.50 5.23 0.18 0.00 1.01 0.67 -4.95 120.40 125.04 1c2a s VAL 14 Ca 0.29 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1c2a s VAL 14 Cb -0.15 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1c2a s VAL 14 CO 0.09 -0.46 -0.20 0.00 0.00 0.00 0.00 175.10 174.52 1c2a s THR 16 N -1.98 4.60 -1.24 0.00 -4.23 -0.66 -4.94 115.64 107.19 1c2a s THR 16 Ca 0.19 1.07 -0.15 0.00 -1.18 0.00 0.00 61.69 61.62 1c2a s THR 16 Cb -0.06 -3.67 0.14 0.00 1.34 0.00 0.00 72.50 70.24 1c2a s THR 16 CO 0.08 -0.46 1.54 -1.14 -0.54 0.00 0.00 174.62 174.10 1c2a n ARG 17 N -1.05 3.32 -4.03 3.99 0.63 -1.26 -4.28 116.66 113.97 1c2a n ARG 17 Ca 0.05 -3.67 -0.09 0.00 -0.92 0.00 0.00 57.85 53.21 1c2a n ARG 17 Cb 0.54 -3.17 -0.08 0.00 0.45 0.00 0.00 32.46 30.19 1c2a n ARG 17 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1c2a s SER 18 N 3.18 0.18 -0.33 6.15 1.04 -1.26 -5.05 113.70 117.61 1c2a s SER 18 Ca 0.46 -0.99 -0.04 0.00 0.48 0.00 0.00 55.95 55.86 1c2a s SER 18 Cb -0.00 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1c2a s SER 18 CO 0.02 -0.79 0.07 -0.63 0.98 0.00 0.00 173.24 172.89 1c2a s ILE 19 N -3.99 3.36 0.70 -1.02 1.01 -1.26 -1.64 121.20 118.36 1c2a s ILE 19 Ca 0.18 -1.36 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 1c2a s ILE 19 Cb 0.05 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.57 1c2a s ILE 19 CO -0.01 -0.21 1.08 -2.16 0.00 0.00 0.00 174.94 173.64 1c2a s PRO 20 N 1.30 2.86 0.44 2.79 0.04 -1.26 -5.12 135.00 136.05 1c2a s PRO 20 Ca -0.02 0.41 -0.24 0.00 0.04 0.00 0.00 61.00 61.19 1c2a s PRO 20 Cb -0.20 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1c2a s PRO 20 CO 0.00 -1.01 1.21 -2.14 0.04 0.00 0.00 177.00 175.10 1c2a s PRO 21 N -5.33 3.82 -0.29 0.56 0.02 -0.65 -4.79 135.00 128.34 1c2a s PRO 21 Ca 0.58 1.91 -0.10 0.00 0.02 0.00 0.00 61.00 63.41 1c2a s PRO 21 Cb -0.11 -2.53 -0.02 0.00 0.02 0.00 0.00 34.50 31.85 1c2a s PRO 21 CO 0.51 -0.54 0.16 0.42 -0.33 0.00 0.00 177.00 177.22 1c2a s ILE 22 N -1.43 4.82 0.10 2.83 1.01 -1.26 -0.74 121.20 126.53 1c2a s ILE 22 Ca 0.61 -0.18 0.10 0.00 0.00 0.00 0.00 60.65 61.18 1c2a s ILE 22 Cb -0.32 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1c2a s ILE 22 CO 0.40 0.16 -0.26 0.00 0.00 0.00 0.00 174.94 175.24 1c2a s THR 24 N -0.99 1.78 -0.36 0.00 2.01 0.01 -0.87 115.64 117.22 1c2a s THR 24 Ca 0.13 -0.98 -0.15 0.00 0.31 0.00 0.00 61.69 61.00 1c2a s THR 24 Cb -0.10 -1.48 -0.00 0.00 0.01 0.00 0.00 72.50 70.92 1c2a s THR 24 CO 0.05 0.49 0.33 0.00 -0.69 0.00 0.00 174.62 174.80 1c2a n MET 26 N 5.31 1.34 -1.68 0.00 2.81 0.45 -4.54 117.12 120.80 1c2a n MET 26 Ca -0.10 -0.50 -0.44 0.00 -1.81 0.00 0.00 57.70 54.85 1c2a n MET 26 Cb 0.49 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.57 1c2a n MET 26 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1c2a n ASP 27 N -0.33 2.96 -4.73 7.83 9.92 -1.26 -4.93 116.55 126.00 1c2a n ASP 27 Ca 0.18 1.14 -0.41 0.00 -0.53 0.00 0.00 54.79 55.16 1c2a n ASP 27 Cb 0.20 -1.45 -0.03 0.00 -0.64 0.00 0.00 41.12 39.20 1c2a n ASP 27 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1c2a s GLU 28 N -0.26 4.47 0.09 -1.24 2.12 -1.26 -4.39 118.70 118.22 1c2a s GLU 28 Ca 0.69 1.88 0.09 0.00 0.36 0.00 0.00 54.97 57.99 1c2a s GLU 28 Cb -0.63 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1c2a s GLU 28 CO 0.48 -0.14 -0.23 0.14 -0.54 0.00 0.00 175.26 174.97 1c2a s VAL 29 N 0.19 2.45 -0.36 3.70 -7.23 -0.20 -4.99 120.40 113.96 1c2a s VAL 29 Ca 0.55 -1.50 0.16 0.00 -1.81 0.00 0.00 61.98 59.38 1c2a s VAL 29 Cb -0.33 -2.05 -0.22 0.00 0.56 0.00 0.00 36.38 34.34 1c2a s VAL 29 CO 0.35 0.21 0.51 0.49 -0.31 0.00 0.00 175.10 176.35 1c2a n PHE 30 N 1.23 0.00 -3.97 2.82 3.01 -1.26 -4.57 117.46 114.73 1c2a n PHE 30 Ca -0.17 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.20 1c2a n PHE 30 Cb 0.52 -0.21 -0.10 0.00 -0.01 0.00 0.00 39.48 39.69 1c2a n PHE 30 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1c2a s GLU 31 N -2.86 0.44 -0.23 -1.08 -1.05 -1.26 -5.13 118.70 107.53 1c2a s GLU 31 Ca -0.01 -0.69 -0.29 0.00 -0.15 0.00 0.00 54.97 53.83 1c2a s GLU 31 Cb 0.11 0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 1c2a s GLU 31 CO 0.68 -0.09 1.35 0.00 0.95 0.00 0.00 175.26 178.14 1c2a n PRO 33 N 7.10 1.13 0.29 0.00 -0.02 -1.26 -4.88 135.00 137.36 1c2a n PRO 33 Ca 0.15 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1c2a n PRO 33 Cb 0.46 -1.73 0.84 0.00 -0.02 0.00 0.00 33.50 33.05 1c2a n PRO 33 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1c2a h LYS 34 N 1.99 0.00 0.00 -0.52 2.10 -1.93 -1.88 116.57 116.32 1c2a h LYS 34 Ca -0.38 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1c2a h LYS 34 Cb 1.36 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1c2a h LYS 34 CO 0.61 0.02 -0.01 1.79 -2.00 0.00 0.00 179.45 179.86 1c2a h THR 35 N 0.00 0.02 -3.30 0.07 1.35 -1.90 -3.44 112.91 105.71 1c2a h THR 35 Ca -0.00 -0.91 -0.57 0.00 -0.55 0.00 0.00 66.41 64.38 1c2a h THR 35 Cb 0.05 1.89 -0.06 0.00 -1.73 0.00 0.00 68.15 68.30 1c2a h THR 35 CO 0.00 0.01 -0.05 0.00 -0.25 0.00 0.00 175.52 175.24 1c2a h LYS 37 N 6.04 0.59 -3.16 0.00 6.56 -1.86 -3.46 116.57 121.28 1c2a h LYS 37 Ca -0.44 -0.63 -0.23 0.00 -1.06 0.00 0.00 60.65 58.29 1c2a h LYS 37 Cb 1.20 0.18 -0.32 0.00 -0.57 0.00 0.00 32.23 32.71 1c2a h LYS 37 CO 0.72 1.24 -0.57 -1.54 -2.06 0.00 0.00 179.45 177.23 1c2a s SER 38 N -7.20 -0.05 0.12 0.86 1.04 -1.26 -5.09 113.70 102.13 1c2a s SER 38 Ca -0.08 0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.76 1c2a s SER 38 Cb 0.08 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1c2a s SER 38 CO 0.90 -0.17 0.14 0.00 0.98 0.00 0.00 173.24 175.09 1c2a n GLY 40 N -0.02 0.11 3.67 0.00 0.00 -0.09 -4.88 105.19 103.98 1c2a n GLY 40 Ca -0.08 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1c2a n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1c2a s PRO 41 N -2.00 0.91 0.08 1.61 0.02 -1.26 -0.40 135.00 133.96 1c2a s PRO 41 Ca 0.30 1.02 -0.11 0.00 0.02 0.00 0.00 61.00 62.23 1c2a s PRO 41 Cb -0.00 -1.75 0.01 0.00 0.02 0.00 0.00 34.50 32.78 1c2a s PRO 41 CO -0.03 -2.53 0.25 -1.54 -0.33 0.00 0.00 177.00 172.82 1c2a s SER 42 N -3.09 -0.01 -1.32 2.53 1.04 -0.56 -4.70 113.70 107.60 1c2a s SER 42 Ca 0.65 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1c2a s SER 42 Cb -0.20 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1c2a s SER 42 CO 0.58 -0.71 0.00 0.23 0.98 0.00 0.00 173.24 174.33 1c2a n MET 43 N 0.13 -1.15 -0.96 4.02 2.81 -1.26 -2.12 117.12 118.59 1c2a n MET 43 Ca -0.16 0.91 0.00 0.00 -1.81 0.00 0.00 57.70 56.64 1c2a n MET 43 Cb 0.62 -5.06 0.00 0.00 -0.71 0.00 0.00 33.22 28.07 1c2a n MET 43 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c2a n GLY 44 N -0.88 0.92 3.36 3.03 0.00 -1.26 -4.99 105.19 105.38 1c2a n GLY 44 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1c2a n GLY 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c2a s ASP 45 N -2.87 5.85 0.57 1.61 -1.08 -0.90 -4.94 116.67 114.91 1c2a s ASP 45 Ca 0.00 -1.19 0.38 0.00 -0.52 0.00 0.00 52.55 51.22 1c2a s ASP 45 Cb 0.00 -2.07 2.00 0.00 -1.46 0.00 0.00 42.92 41.39 1c2a s ASP 45 CO 0.00 -0.49 2.16 1.55 0.52 0.00 0.00 175.17 178.91 1c2a h PRO 46 N 8.53 0.00 -0.10 4.34 0.13 -1.94 -1.18 132.00 141.78 1c2a h PRO 46 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1c2a h PRO 46 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1c2a h PRO 46 CO 0.75 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.39 1c2a n SER 47 N -2.90 2.60 -4.27 1.44 3.41 -1.26 -4.64 113.62 108.01 1c2a n SER 47 Ca -0.02 -1.85 -0.44 0.00 -0.26 0.00 0.00 58.87 56.30 1c2a n SER 47 Cb 0.11 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1c2a n SER 47 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1c2a s ARG 48 N -1.89 3.38 -0.07 4.33 3.52 -0.44 -5.04 118.95 122.74 1c2a s ARG 48 Ca 0.33 -2.56 -0.16 0.00 -0.13 0.00 0.00 55.73 53.21 1c2a s ARG 48 Cb 0.21 -4.25 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 1c2a s ARG 48 CO 0.31 -1.26 0.41 1.03 -0.81 0.00 0.00 175.30 174.98 1c2a s ARG 49 N -0.04 4.10 0.28 5.12 0.52 -1.26 -1.49 118.95 126.18 1c2a s ARG 49 Ca 0.19 0.36 0.06 0.00 -0.52 0.00 0.00 55.73 55.82 1c2a s ARG 49 Cb -0.12 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 31.97 1c2a s ARG 49 CO -0.08 0.45 -0.03 0.96 0.02 0.00 0.00 175.30 176.62 1c2a s ILE 50 N -0.29 1.50 -0.14 1.52 -4.36 0.46 -1.03 121.20 118.86 1c2a s ILE 50 Ca 0.23 -2.09 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 1c2a s ILE 50 Cb -0.15 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.04 1c2a s ILE 50 CO 0.11 -0.26 1.37 0.00 0.24 0.00 0.00 174.94 176.39 1c2a n GLN 52 N 6.74 0.99 -1.76 0.00 6.02 0.91 -4.61 117.38 125.67 1c2a n GLN 52 Ca 0.15 -0.57 -0.42 0.00 -0.01 0.00 0.00 57.00 56.15 1c2a n GLN 52 Cb 0.44 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 1c2a n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1c2a s ASP 53 N -2.40 6.37 -0.00 1.08 1.01 -1.26 -5.00 116.67 116.47 1c2a s ASP 53 Ca 0.27 2.94 -0.20 0.00 0.71 0.00 0.00 52.55 56.28 1c2a s ASP 53 Cb 0.20 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1c2a s ASP 53 CO 0.48 -0.93 0.58 -1.58 0.21 0.00 0.00 175.17 173.93 1c2a s GLN 54 N -0.21 4.30 -0.05 8.23 0.74 -1.26 -4.51 119.66 126.89 1c2a s GLN 54 Ca 0.65 0.71 0.05 0.00 0.05 0.00 0.00 55.36 56.83 1c2a s GLN 54 Cb -0.48 -3.34 -0.01 0.00 1.10 0.00 0.00 33.01 30.29 1c2a s GLN 54 CO 0.45 0.39 -0.20 -0.47 -0.55 0.00 0.00 175.29 174.90 1c2a s TYR 55 N -0.24 2.04 -0.30 1.67 5.04 -0.05 -4.98 117.35 120.52 1c2a s TYR 55 Ca 0.30 -0.62 -0.09 0.00 -2.44 0.00 0.00 57.07 54.22 1c2a s TYR 55 Cb -0.18 -1.36 -0.01 0.00 0.35 0.00 0.00 41.96 40.76 1c2a s TYR 55 CO 0.17 -0.21 0.15 0.08 -1.34 0.00 0.00 175.55 174.40 1c2a s VAL 56 N 0.01 4.60 -5.00 3.14 1.01 -1.26 0.33 120.40 123.23 1c2a s VAL 56 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1c2a s VAL 56 Cb -0.13 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1c2a s VAL 56 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1c2a n GLY 57 N 4.98 0.28 3.73 4.51 0.00 0.08 -4.98 105.19 113.79 1c2a n GLY 57 Ca -0.14 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1c2a n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c2a s ASP 58 N -0.11 7.01 0.20 1.61 -1.08 -1.26 -4.27 116.67 118.76 1c2a s ASP 58 Ca 0.00 2.24 0.21 0.00 -0.52 0.00 0.00 52.55 54.47 1c2a s ASP 58 Cb 0.00 -2.60 0.89 0.00 -1.46 0.00 0.00 42.92 39.75 1c2a s ASP 58 CO 0.00 -0.46 1.64 -0.81 0.52 0.00 0.00 175.17 176.06 1c2a n PRO 59 N 3.03 0.14 0.00 4.34 -0.04 -1.26 -5.00 135.00 136.21 1c2a n PRO 59 Ca 0.07 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1c2a n PRO 59 Cb 0.44 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1c2a n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c2a n GLY 60 N -0.08 -1.91 3.83 0.55 0.00 -1.26 -4.59 105.19 101.73 1c2a n GLY 60 Ca 0.02 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1c2a n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c2a s PRO 61 N 0.00 2.60 0.73 1.61 0.04 -1.26 -4.80 135.00 133.92 1c2a s PRO 61 Ca 0.00 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 1c2a s PRO 61 Cb 0.00 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1c2a s PRO 61 CO 0.00 -1.27 1.08 0.96 0.04 0.00 0.00 177.00 177.81 1c2a s ILE 62 N -3.19 3.62 -0.13 0.56 -4.36 -1.26 -1.40 121.20 115.05 1c2a s ILE 62 Ca 0.59 0.53 -0.03 0.00 -0.26 0.00 0.00 60.65 61.48 1c2a s ILE 62 Cb -0.13 -3.32 -0.25 0.00 1.25 0.00 0.00 42.46 40.02 1c2a s ILE 62 CO 0.54 -0.69 0.32 0.00 0.24 0.00 0.00 174.94 175.34 1c2a s ARG 64 N -2.56 1.71 0.00 0.00 1.70 -1.26 -4.96 118.95 113.59 1c2a s ARG 64 Ca -0.22 1.21 0.25 0.00 -0.47 0.00 0.00 55.73 56.50 1c2a s ARG 64 Cb 0.07 -1.83 1.19 0.00 -0.57 0.00 0.00 34.95 33.81 1c2a s ARG 64 CO 0.76 -2.04 1.82 -2.30 -1.08 0.00 0.00 175.30 172.46 1c2a n PRO 65 N -3.80 0.22 -3.86 3.89 -0.02 -1.26 -4.74 135.00 125.43 1c2a n PRO 65 Ca 0.09 0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 1c2a n PRO 65 Cb 0.53 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.37 1c2a n PRO 65 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1c2a s TRP 66 N -2.73 0.02 0.14 6.00 0.51 -1.26 -3.67 118.94 117.95 1c2a s TRP 66 Ca 0.19 0.02 -0.17 0.00 -2.12 0.00 0.00 56.10 54.02 1c2a s TRP 66 Cb 0.17 -0.05 -0.01 0.00 -0.81 0.00 0.00 33.47 32.77 1c2a s TRP 66 CO 0.41 -0.02 1.78 0.93 -0.51 0.00 0.00 176.95 179.54 1c2a h GLU 67 N 6.33 0.47 -4.16 4.98 4.39 -1.97 -3.46 114.58 121.16 1c2a h GLU 67 Ca -0.28 -0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.11 1c2a h GLU 67 Cb 1.20 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.66 1c2a h GLU 67 CO 0.50 0.34 -0.22 0.00 -1.16 0.00 0.00 179.01 178.47 1c2a h ASP 70 N 7.67 0.00 -2.32 0.00 3.45 -1.92 -3.33 116.42 119.97 1c2a h ASP 70 Ca -0.23 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.58 1c2a h ASP 70 Cb 1.15 0.00 -0.38 0.00 -0.56 0.00 0.00 39.33 39.53 1c2a h ASP 70 CO 0.15 0.93 -0.24 0.29 -1.57 0.00 0.00 179.24 178.80 1c2a n LYS 71 N -3.15 3.44 -2.92 3.56 5.02 -1.26 -4.99 118.16 117.86 1c2a n LYS 71 Ca -0.09 -4.74 -0.40 0.00 -2.02 0.00 0.00 58.31 51.06 1c2a n LYS 71 Cb 0.98 -2.31 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1c2a n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2a s ALA 72 N -3.18 3.36 -0.26 7.82 0.00 -1.26 -2.01 121.76 126.23 1c2a s ALA 72 Ca 0.43 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.78 1c2a s ALA 72 Cb 0.20 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.33 1c2a s ALA 72 CO -0.07 0.11 -0.05 0.42 0.00 0.00 0.00 175.76 176.17 1c2a s ILE 73 N -0.36 1.74 0.19 0.00 1.01 0.03 -4.99 121.20 118.82 1c2a s ILE 73 Ca 0.40 -1.46 0.11 0.00 0.00 0.00 0.00 60.65 59.70 1c2a s ILE 73 Cb -0.22 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1c2a s ILE 73 CO 0.26 -0.16 -0.23 0.00 0.00 0.00 0.00 174.94 174.81 1c2a s THR 75 N -1.76 2.00 -1.67 0.00 -4.23 -0.30 -4.96 115.64 104.73 1c2a s THR 75 Ca 0.19 -0.02 0.28 0.00 -1.18 0.00 0.00 61.69 60.96 1c2a s THR 75 Cb -0.07 -2.98 0.36 0.00 1.34 0.00 0.00 72.50 71.15 1c2a s THR 75 CO 0.09 0.00 1.72 0.54 -0.54 0.00 0.00 174.62 176.43 1c2a n ARG 76 N -3.74 0.73 -1.29 3.99 5.12 -1.26 -4.60 116.66 115.61 1c2a n ARG 76 Ca 0.15 -0.34 -0.31 0.00 -1.93 0.00 0.00 57.85 55.42 1c2a n ARG 76 Cb 0.59 -1.49 0.09 0.00 -1.16 0.00 0.00 32.46 30.49 1c2a n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1c2a s SER 77 N -2.50 4.55 -0.28 0.55 1.04 -1.26 -4.91 113.70 110.89 1c2a s SER 77 Ca 0.26 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.49 1c2a s SER 77 Cb 0.20 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.89 1c2a s SER 77 CO 0.50 -2.00 0.01 0.21 0.98 0.00 0.00 173.24 172.94 1c2a s ASN 78 N -3.44 4.10 0.51 7.02 2.47 -1.26 -1.60 114.94 122.73 1c2a s ASN 78 Ca 0.61 -1.50 -0.19 0.00 0.42 0.00 0.00 52.86 52.20 1c2a s ASN 78 Cb -0.17 -1.21 -0.08 0.00 -1.45 0.00 0.00 41.25 38.35 1c2a s ASN 78 CO 0.56 -0.31 1.03 -2.16 -3.72 0.00 0.00 177.10 172.50 1c2a s PRO 79 N 1.33 3.75 0.99 0.43 0.04 -1.26 -5.17 135.00 135.11 1c2a s PRO 79 Ca 0.02 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 1c2a s PRO 79 Cb -0.19 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.45 1c2a s PRO 79 CO -0.11 -0.46 1.17 -1.25 0.04 0.00 0.00 177.00 176.39 1c2a s PRO 80 N -3.51 0.44 -0.21 0.56 0.04 -0.63 -4.74 135.00 126.96 1c2a s PRO 80 Ca 0.65 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.70 1c2a s PRO 80 Cb -0.15 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1c2a s PRO 80 CO 0.24 -2.63 -0.01 0.99 0.04 0.00 0.00 177.00 175.64 1c2a s THR 81 N -3.33 3.82 0.16 1.26 2.01 -1.26 -1.89 115.64 116.41 1c2a s THR 81 Ca 0.68 -0.36 0.11 0.00 0.31 0.00 0.00 61.69 62.43 1c2a s THR 81 Cb -0.11 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1c2a s THR 81 CO 0.54 0.42 -0.23 0.00 -0.69 0.00 0.00 174.62 174.67 1c2a s ARG 83 N -2.45 1.57 -0.13 0.00 1.70 -0.37 -0.37 118.95 118.91 1c2a s ARG 83 Ca 0.19 -1.83 -0.01 0.00 -0.47 0.00 0.00 55.73 53.61 1c2a s ARG 83 Cb -0.09 -0.99 0.04 0.00 -0.57 0.00 0.00 34.95 33.34 1c2a s ARG 83 CO 0.09 -0.07 -0.04 0.00 -1.08 0.00 0.00 175.30 174.20 1c2a n VAL 85 N 4.96 2.85 -1.67 0.00 0.24 -0.85 -4.44 118.33 119.43 1c2a n VAL 85 Ca -0.11 -1.79 -0.45 0.00 -2.04 0.00 0.00 64.34 59.95 1c2a n VAL 85 Cb 0.49 -0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.48 1c2a n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1c2a n ASP 86 N -0.35 2.70 -4.44 -1.34 9.92 -1.26 -4.95 116.55 116.83 1c2a n ASP 86 Ca 0.39 1.14 -0.44 0.00 -0.53 0.00 0.00 54.79 55.36 1c2a n ASP 86 Cb 1.32 -1.42 -0.08 0.00 -0.64 0.00 0.00 41.12 40.30 1c2a n ASP 86 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1c2a s GLU 87 N -0.42 3.02 0.17 -1.24 2.02 -1.26 -4.43 118.70 116.57 1c2a s GLU 87 Ca 0.68 -1.06 0.08 0.00 0.02 0.00 0.00 54.97 54.69 1c2a s GLU 87 Cb -0.66 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 29.48 1c2a s GLU 87 CO 0.50 -0.95 -0.05 0.14 0.02 0.00 0.00 175.26 174.93 1c2a s VAL 88 N 1.91 3.50 0.25 2.63 -7.23 0.08 -4.78 120.40 116.76 1c2a s VAL 88 Ca 0.08 -1.48 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1c2a s VAL 88 Cb -0.20 -2.73 0.20 0.00 0.56 0.00 0.00 36.38 34.20 1c2a s VAL 88 CO 0.10 -0.08 1.86 0.11 -0.31 0.00 0.00 175.10 176.78 1c2a h LYS 89 N 2.90 1.11 -3.12 4.82 6.56 -1.86 0.57 116.57 127.55 1c2a h LYS 89 Ca -0.47 -0.15 -0.18 0.00 -1.06 0.00 0.00 60.65 58.78 1c2a h LYS 89 Cb 1.20 -0.21 -0.28 0.00 -0.57 0.00 0.00 32.23 32.37 1c2a h LYS 89 CO 0.56 0.85 -0.47 0.21 -2.06 0.00 0.00 179.45 178.54 1c2a s LYS 90 N -5.65 0.23 0.41 3.15 2.47 -1.26 -4.63 119.74 114.46 1c2a s LYS 90 Ca -0.12 0.41 -0.24 0.00 -1.56 0.00 0.00 55.97 54.47 1c2a s LYS 90 Cb 0.16 0.01 -0.09 0.00 -1.46 0.00 0.00 37.83 36.45 1c2a s LYS 90 CO 0.82 -0.09 1.06 0.00 0.16 0.00 0.00 175.35 177.30 1c2a n ALA 92 N -0.16 0.97 0.24 0.00 0.00 -1.26 -4.84 120.51 115.45 1c2a n ALA 92 Ca 0.05 0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.87 1c2a n ALA 92 Cb 0.49 -2.22 0.69 0.00 0.00 0.00 0.00 19.45 18.42 1c2a n ALA 92 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1c2a h PRO 93 N 1.86 0.00 -0.00 0.00 0.13 -1.95 -1.63 132.00 130.41 1c2a h PRO 93 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1c2a h PRO 93 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1c2a h PRO 93 CO 0.59 0.00 -0.32 0.25 -0.23 0.00 0.00 178.00 178.29 1c2a n THR 94 N -2.50 0.00 -2.45 1.56 -2.24 -1.26 -4.79 114.28 102.59 1c2a n THR 94 Ca -0.02 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1c2a n THR 94 Cb 0.21 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1c2a n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c2a h LYS 96 N 6.92 0.21 -4.08 0.00 3.64 -1.88 -3.43 116.57 117.94 1c2a h LYS 96 Ca -0.40 -0.36 -0.62 0.00 -1.27 0.00 0.00 60.65 58.00 1c2a h LYS 96 Cb 1.21 0.13 -0.40 0.00 -0.41 0.00 0.00 32.23 32.76 1c2a h LYS 96 CO 0.82 1.02 -0.73 0.99 -2.27 0.00 0.00 179.45 179.28 1c2a s THR 97 N -2.59 1.64 -0.25 1.00 2.01 -1.26 -5.08 115.64 111.12 1c2a s THR 97 Ca -0.14 -1.98 -0.02 0.00 0.31 0.00 0.00 61.69 59.86 1c2a s THR 97 Cb 0.07 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.38 1c2a s THR 97 CO 0.81 -0.65 -0.06 0.00 -0.69 0.00 0.00 174.62 174.03 1c2a s LEU 99 N 1.33 2.46 0.56 0.00 1.43 -0.50 -4.92 118.68 119.04 1c2a s LEU 99 Ca 0.00 -0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 1c2a s LEU 99 Cb -0.17 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1c2a s LEU 99 CO -0.04 0.06 1.05 -2.16 0.23 0.00 0.00 176.35 175.49 1c2a s PRO 100 N -2.84 3.45 0.30 1.29 0.04 -1.26 0.36 135.00 136.34 1c2a s PRO 100 Ca 0.20 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 1c2a s PRO 100 Cb -0.07 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1c2a s PRO 100 CO 0.09 -0.71 0.91 0.45 0.04 0.00 0.00 177.00 177.79 1c2a s SER 101 N -2.56 7.33 -0.05 6.66 0.15 -0.58 -4.67 113.70 119.98 1c2a s SER 101 Ca 0.65 1.79 -0.26 0.00 0.70 0.00 0.00 55.95 58.82 1c2a s SER 101 Cb -0.16 -2.56 -0.21 0.00 -1.71 0.00 0.00 66.02 61.37 1c2a s SER 101 CO 0.32 -0.03 1.14 -0.09 1.20 0.00 0.00 173.24 175.79 1c2a h ARG 102 N 3.31 -0.01 -0.30 5.44 2.43 -1.95 -3.25 114.38 120.05 1c2a h ARG 102 Ca -0.47 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.57 1c2a h ARG 102 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1c2a h ARG 102 CO 0.65 0.59 -0.35 0.77 -1.51 0.00 0.00 179.97 180.13 1c2a h SER 103 N -0.62 0.71 -2.75 -3.80 0.02 -1.99 -3.39 113.55 101.73 1c2a h SER 103 Ca -0.00 -0.30 -0.59 0.00 -0.84 0.00 0.00 61.79 60.06 1c2a h SER 103 Cb 0.60 -0.20 -0.39 0.00 0.14 0.00 0.00 62.40 62.55 1c2a h SER 103 CO 0.00 1.00 -0.85 -0.13 -1.14 0.00 0.00 176.83 175.71 1c2a s ARG 104 N -4.37 0.96 0.15 3.45 0.52 -1.25 -5.01 118.95 113.39 1c2a s ARG 104 Ca -0.08 -1.87 0.21 0.00 -0.52 0.00 0.00 55.73 53.46 1c2a s ARG 104 Cb 0.12 -1.72 0.87 0.00 0.52 0.00 0.00 34.95 34.74 1c2a s ARG 104 CO 0.84 -1.26 1.66 -2.30 0.02 0.00 0.00 175.30 174.25 1c2a n PRO 105 N 3.40 0.12 0.00 3.54 -0.02 -1.22 -0.49 135.00 140.32 1c2a n PRO 105 Ca 0.18 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1c2a n PRO 105 Cb 0.40 -1.71 0.57 0.00 -0.02 0.00 0.00 33.50 32.73 1c2a n PRO 105 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1c2a n SER 106 N -1.94 0.00 -4.94 2.55 3.41 -1.26 -4.66 113.62 106.77 1c2a n SER 106 Ca 0.03 0.48 -0.19 0.00 -0.26 0.00 0.00 58.87 58.93 1c2a n SER 106 Cb 0.24 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 1c2a n SER 106 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1c2a s ARG 107 N -2.99 2.62 0.06 4.33 1.81 0.35 -4.74 118.95 120.40 1c2a s ARG 107 Ca 0.13 -1.45 0.03 0.00 -1.72 0.00 0.00 55.73 52.72 1c2a s ARG 107 Cb 0.17 -2.53 -0.03 0.00 -0.45 0.00 0.00 34.95 32.11 1c2a s ARG 107 CO 0.48 -0.29 -0.08 1.03 -0.68 0.00 0.00 175.30 175.75 1c2a s ARG 108 N -4.26 0.66 -0.10 3.54 1.81 0.20 -1.52 118.95 119.28 1c2a s ARG 108 Ca 0.51 -0.95 0.03 0.00 -1.72 0.00 0.00 55.73 53.59 1c2a s ARG 108 Cb -0.06 -0.35 0.01 0.00 -0.45 0.00 0.00 34.95 34.10 1c2a s ARG 108 CO 0.30 0.05 -0.18 0.08 -0.68 0.00 0.00 175.30 174.88 1c2a s VAL 109 N -1.99 1.64 -0.28 3.52 1.01 0.16 -0.74 120.40 123.70 1c2a s VAL 109 Ca -0.03 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1c2a s VAL 109 Cb -0.06 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1c2a s VAL 109 CO -0.01 0.47 0.68 0.00 0.00 0.00 0.00 175.10 176.24 1c2a n ILE 111 N 5.34 0.23 -1.57 0.00 -5.35 -0.69 -4.45 119.36 112.87 1c2a n ILE 111 Ca 0.01 -0.60 -0.40 0.00 -0.27 0.00 0.00 62.75 61.49 1c2a n ILE 111 Cb 0.49 1.20 0.03 0.00 -1.74 0.00 0.00 39.64 39.61 1c2a n ILE 111 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1c2a n ASP 112 N 1.34 0.49 -4.69 7.28 9.92 -1.26 -4.95 116.55 124.67 1c2a n ASP 112 Ca 0.17 0.91 -0.35 0.00 -0.53 0.00 0.00 54.79 54.99 1c2a n ASP 112 Cb 0.59 -1.30 -0.09 0.00 -0.64 0.00 0.00 41.12 39.67 1c2a n ASP 112 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1c2a s SER 113 N -0.96 5.28 -0.05 -2.24 0.15 -1.26 -4.41 113.70 110.20 1c2a s SER 113 Ca 0.67 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 57.45 1c2a s SER 113 Cb -0.51 -1.48 0.03 0.00 -1.71 0.00 0.00 66.02 62.35 1c2a s SER 113 CO 0.54 0.36 0.01 -0.47 1.20 0.00 0.00 173.24 174.88 1c2a s TYR 114 N -0.92 0.47 -0.48 3.44 5.04 0.51 -4.95 117.35 120.45 1c2a s TYR 114 Ca 0.14 -0.05 -0.23 0.00 -2.44 0.00 0.00 57.07 54.49 1c2a s TYR 114 Cb -0.11 -0.63 0.03 0.00 0.35 0.00 0.00 41.96 41.60 1c2a s TYR 114 CO 0.04 -0.24 0.82 0.12 -1.34 0.00 0.00 175.55 174.95 1c2a s PHE 115 N 1.66 2.94 -2.54 4.97 2.19 -1.26 -1.28 117.98 124.65 1c2a s PHE 115 Ca -0.00 0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.33 1c2a s PHE 115 Cb -0.13 -3.78 0.00 0.00 -1.31 0.00 0.00 43.02 37.80 1c2a s PHE 115 CO -0.03 -1.10 0.00 0.41 1.83 0.00 0.00 175.22 176.33 1c2a n GLY 116 N 5.03 -1.63 3.76 13.12 0.00 -0.79 -5.01 105.19 119.67 1c2a n GLY 116 Ca 0.02 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 1c2a n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c2a s PRO 117 N -1.45 3.49 0.12 1.61 0.04 -1.26 -3.74 135.00 133.81 1c2a s PRO 117 Ca 0.00 2.02 -0.35 0.00 0.04 0.00 0.00 61.00 62.72 1c2a s PRO 117 Cb 0.00 -2.37 -0.14 0.00 0.04 0.00 0.00 34.50 32.03 1c2a s PRO 117 CO 0.00 -0.84 1.56 0.28 0.04 0.00 0.00 177.00 178.04 1c2a n VAL 118 N -0.68 0.06 -1.88 -0.36 0.31 -1.26 -4.94 118.33 109.58 1c2a n VAL 118 Ca 0.08 -0.01 -0.34 0.00 -0.01 0.00 0.00 64.34 64.06 1c2a n VAL 118 Cb 0.46 -1.43 0.04 0.00 -0.91 0.00 0.00 33.84 32.00 1c2a n VAL 118 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1c2a s PRO 119 N 1.16 2.86 0.65 5.55 0.04 -1.26 -4.99 135.00 139.02 1c2a s PRO 119 Ca 0.81 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 63.28 1c2a s PRO 119 Cb -0.74 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 1c2a s PRO 119 CO 0.41 -1.24 1.18 -1.25 0.04 0.00 0.00 177.00 176.15 1c2a s PRO 120 N -3.71 2.66 0.47 0.56 0.04 -1.26 -4.72 135.00 129.04 1c2a s PRO 120 Ca 0.72 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 63.23 1c2a s PRO 120 Cb -0.25 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1c2a s PRO 120 CO 0.37 -1.43 1.28 1.03 0.04 0.00 0.00 177.00 178.30 1c2a s ARG 121 N -3.69 3.64 -0.01 4.56 3.00 -1.26 -0.86 118.95 124.34 1c2a s ARG 121 Ca 0.74 2.08 -0.22 0.00 0.00 0.00 0.00 55.73 58.33 1c2a s ARG 121 Cb -0.28 -2.50 -0.20 0.00 0.00 0.00 0.00 34.95 31.97 1c2a s ARG 121 CO 0.39 -0.74 1.15 0.00 0.00 0.00 0.00 175.30 176.10