#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2f s GLN 2 N 0.00 1.80 0.33 2.12 2.00 -1.26 -5.12 119.66 119.53 1n2f s GLN 2 Ca 0.00 -0.80 -0.06 0.00 -2.00 0.00 0.00 55.36 52.51 1n2f s GLN 2 Cb 0.00 -2.36 -0.05 0.00 0.80 0.00 0.00 33.01 31.40 1n2f s GLN 2 CO 0.00 -0.47 0.62 0.99 -0.50 0.00 0.00 175.29 175.93 1n2f s THR 3 N 1.45 4.97 0.07 -0.34 2.01 -1.26 -5.10 115.64 117.45 1n2f s THR 3 Ca -0.02 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 1n2f s THR 3 Cb -0.17 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1n2f s THR 3 CO -0.08 -0.43 0.09 0.27 -0.69 0.00 0.00 174.62 173.78 1n2f s ILE 4 N -2.22 0.17 -0.32 1.82 -4.36 -1.26 -5.10 121.20 109.93 1n2f s ILE 4 Ca 0.45 -1.50 -0.07 0.00 -0.26 0.00 0.00 60.65 59.27 1n2f s ILE 4 Cb -0.10 -1.46 0.02 0.00 1.25 0.00 0.00 42.46 42.17 1n2f s ILE 4 CO 0.32 -0.79 0.11 -0.54 0.24 0.00 0.00 174.94 174.27 1n2f s LYS 5 N -3.90 2.85 0.30 0.37 3.01 -1.26 -5.07 119.74 116.05 1n2f s LYS 5 Ca 0.07 -1.03 -0.29 0.00 -1.01 0.00 0.00 55.97 53.71 1n2f s LYS 5 Cb 0.06 -3.45 -0.10 0.00 -1.01 0.00 0.00 37.83 33.33 1n2f s LYS 5 CO -0.10 -0.57 1.39 0.00 0.51 0.00 0.00 175.35 176.58 1n2f s ALA 6 N 1.46 3.56 -0.04 5.17 0.00 -1.26 -4.91 121.76 125.75 1n2f s ALA 6 Ca 0.01 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.34 1n2f s ALA 6 Cb -0.18 -3.53 -0.25 0.00 0.00 0.00 0.00 23.12 19.15 1n2f s ALA 6 CO 0.03 -0.75 0.69 -0.07 0.00 0.00 0.00 175.76 175.66 1n2f h LEU 7 N 4.01 0.20 -7.43 0.00 3.38 -2.07 -3.47 115.31 109.95 1n2f h LEU 7 Ca -0.48 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 56.99 1n2f h LEU 7 Cb 1.22 -0.07 -0.22 0.00 0.09 0.00 0.00 40.66 41.68 1n2f h LEU 7 CO 0.70 1.33 -0.28 -0.47 0.09 0.00 0.00 178.44 179.81 1n2f s TYR 8 N -2.60 -0.30 -0.09 1.13 6.14 -1.26 -5.15 117.35 115.21 1n2f s TYR 8 Ca -0.10 0.65 0.00 0.00 0.64 0.00 0.00 57.07 58.27 1n2f s TYR 8 Cb 0.07 0.12 0.02 0.00 0.42 0.00 0.00 41.96 42.60 1n2f s TYR 8 CO 0.82 -0.28 -0.08 0.99 0.64 0.00 0.00 175.55 177.63 1n2f s THR 9 N -0.50 0.99 0.12 4.34 2.01 -1.26 -5.13 115.64 116.20 1n2f s THR 9 Ca -0.06 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.55 1n2f s THR 9 Cb -0.04 -0.98 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 1n2f s THR 9 CO 0.02 0.35 0.41 0.00 -0.69 0.00 0.00 174.62 174.71 1n2f s ALA 10 N 1.40 3.73 -0.03 7.40 0.00 -1.26 -5.09 121.76 127.90 1n2f s ALA 10 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1n2f s ALA 10 Cb -0.13 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1n2f s ALA 10 CO -0.04 0.59 -0.11 0.99 0.00 0.00 0.00 175.76 177.19 1n2f s THR 11 N -1.53 0.93 -0.08 0.00 2.01 -1.26 -5.08 115.64 110.63 1n2f s THR 11 Ca 0.37 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 1n2f s THR 11 Cb -0.13 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.58 1n2f s THR 11 CO 0.20 0.29 0.22 0.00 -0.69 0.00 0.00 174.62 174.65 1n2f s ALA 12 N 0.21 -0.55 -0.17 7.40 0.00 -1.26 -0.58 121.76 126.80 1n2f s ALA 12 Ca -0.04 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1n2f s ALA 12 Cb -0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1n2f s ALA 12 CO 0.01 -0.11 -0.06 0.99 0.00 0.00 0.00 175.76 176.59 1n2f s THR 13 N 0.15 3.47 0.06 0.00 2.01 -0.21 -4.92 115.64 116.20 1n2f s THR 13 Ca -0.00 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.55 1n2f s THR 13 Cb -0.02 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1n2f s THR 13 CO 0.00 0.47 -0.04 0.00 -0.69 0.00 0.00 174.62 174.36 1n2f s ALA 14 N 0.80 3.13 -0.00 7.40 0.00 -1.26 -1.12 121.76 130.71 1n2f s ALA 14 Ca -0.02 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 1n2f s ALA 14 Cb -0.15 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 1n2f s ALA 14 CO 0.01 0.66 0.00 0.95 0.00 0.00 0.00 175.76 177.39 1n2f s THR 15 N -1.18 0.01 0.00 0.00 -4.23 0.52 -4.89 115.64 105.87 1n2f s THR 15 Ca 0.22 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1n2f s THR 15 Cb -0.11 -0.04 0.00 0.00 1.34 0.00 0.00 72.50 73.69 1n2f s THR 15 CO 0.13 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1n2f n GLY 16 N 2.95 2.22 0.00 3.99 0.00 -1.26 -0.90 105.19 112.19 1n2f n GLY 16 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1n2f n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n2f n GLY 17 N 0.00 0.38 0.30 -0.02 0.00 -1.26 -4.47 105.19 100.11 1n2f n GLY 17 Ca 0.00 -1.81 0.20 0.00 0.00 0.00 0.00 46.02 44.41 1n2f n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n2f h ARG 18 N 0.00 0.00 -3.93 1.61 3.08 -1.92 -3.13 114.38 110.09 1n2f h ARG 18 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1n2f h ARG 18 Cb 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.65 1n2f h ARG 18 CO 0.00 0.00 -0.68 -0.51 -1.07 0.00 0.00 179.97 177.71 1n2f s ASP 19 N -5.17 4.47 0.00 7.04 1.11 -1.26 -1.26 116.67 121.60 1n2f s ASP 19 Ca -0.02 -2.58 0.00 0.00 0.18 0.00 0.00 52.55 50.13 1n2f s ASP 19 Cb 0.11 -1.58 0.00 0.00 1.07 0.00 0.00 42.92 42.52 1n2f s ASP 19 CO 0.43 -0.30 0.00 0.61 1.18 0.00 0.00 175.17 177.09 1n2f n GLY 20 N 3.68 -0.77 3.25 0.21 0.00 -0.91 -4.60 105.19 106.06 1n2f n GLY 20 Ca 0.04 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1n2f n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n2f s ARG 21 N -0.24 0.85 -0.04 1.61 3.52 -0.08 -0.57 118.95 124.01 1n2f s ARG 21 Ca 0.00 -0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1n2f s ARG 21 Cb 0.00 0.36 0.03 0.00 -1.56 0.00 0.00 34.95 33.78 1n2f s ARG 21 CO 0.00 -0.28 0.09 0.00 -0.81 0.00 0.00 175.30 174.30 1n2f s ALA 22 N -3.04 -0.11 -0.03 6.12 0.00 -0.77 -0.35 121.76 123.57 1n2f s ALA 22 Ca -0.02 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1n2f s ALA 22 Cb 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1n2f s ALA 22 CO -0.06 -0.12 -0.02 0.54 0.00 0.00 0.00 175.76 176.09 1n2f s VAL 23 N 0.97 0.31 0.68 0.00 0.11 -0.28 -1.43 120.40 120.75 1n2f s VAL 23 Ca -0.08 -0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.80 1n2f s VAL 23 Cb -0.10 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1n2f s VAL 23 CO -0.04 0.15 1.10 -0.94 -3.33 0.00 0.00 175.10 172.05 1n2f s SER 24 N 0.73 5.04 0.55 3.54 1.04 0.16 -1.04 113.70 123.71 1n2f s SER 24 Ca -0.08 1.96 0.26 0.00 0.48 0.00 0.00 55.95 58.56 1n2f s SER 24 Cb -0.11 -2.54 1.45 0.00 0.10 0.00 0.00 66.02 64.91 1n2f s SER 24 CO -0.01 -1.67 2.02 0.77 0.98 0.00 0.00 173.24 175.33 1n2f h SER 25 N -0.15 0.00 -0.22 7.02 4.64 -1.19 0.69 113.55 124.34 1n2f h SER 25 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1n2f h SER 25 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1n2f h SER 25 CO 0.54 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.60 1n2f n ASP 26 N -4.20 2.78 0.00 4.97 5.68 -1.26 -4.94 116.55 119.58 1n2f n ASP 26 Ca 0.07 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1n2f n ASP 26 Cb 0.51 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1n2f n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n2f n GLY 27 N 1.36 1.04 0.11 6.12 0.00 0.24 -4.89 105.19 109.17 1n2f n GLY 27 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1n2f n GLY 27 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n2f h VAL 28 N 0.00 1.17 -3.69 1.61 2.07 -1.92 -3.39 116.25 112.10 1n2f h VAL 28 Ca 0.00 -0.53 -0.68 0.00 0.82 0.00 0.00 66.70 66.31 1n2f h VAL 28 Cb 0.00 1.19 -0.19 0.00 -1.52 0.00 0.00 31.29 30.78 1n2f h VAL 28 CO 0.00 0.17 -0.43 -0.22 0.02 0.00 0.00 177.57 177.11 1n2f s LEU 29 N -9.79 4.54 -0.25 2.57 2.96 -1.26 -4.98 118.68 112.46 1n2f s LEU 29 Ca -0.14 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.33 1n2f s LEU 29 Cb 0.07 -2.19 0.08 0.00 0.50 0.00 0.00 46.19 44.65 1n2f s LEU 29 CO 0.71 -0.28 0.09 -0.62 -1.32 0.00 0.00 176.35 174.93 1n2f s ASP 30 N 1.72 3.35 0.13 3.68 -1.08 -1.26 0.36 116.67 123.57 1n2f s ASP 30 Ca 0.07 -1.17 0.06 0.00 -0.52 0.00 0.00 52.55 51.00 1n2f s ASP 30 Cb -0.17 -0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 40.72 1n2f s ASP 30 CO 0.11 -0.39 -0.15 0.68 0.52 0.00 0.00 175.17 175.94 1n2f s VAL 31 N 1.92 1.41 0.03 1.11 -7.23 -0.52 -5.03 120.40 112.09 1n2f s VAL 31 Ca 0.06 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1n2f s VAL 31 Cb -0.17 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1n2f s VAL 31 CO -0.23 -0.39 0.24 -0.75 -0.31 0.00 0.00 175.10 173.66 1n2f s LYS 32 N -2.66 3.51 0.07 4.82 2.20 -1.26 -1.85 119.74 124.57 1n2f s LYS 32 Ca 0.10 -0.24 0.09 0.00 -0.36 0.00 0.00 55.97 55.56 1n2f s LYS 32 Cb -0.05 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.19 1n2f s LYS 32 CO 0.04 0.63 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.90 1n2f s LEU 33 N -2.09 2.35 -0.06 5.43 2.01 0.27 -2.72 118.68 123.87 1n2f s LEU 33 Ca 0.31 -0.60 -0.07 0.00 0.01 0.00 0.00 54.13 53.78 1n2f s LEU 33 Cb -0.13 -1.34 0.02 0.00 0.01 0.00 0.00 46.19 44.75 1n2f s LEU 33 CO 0.21 0.23 0.19 -0.44 1.01 0.00 0.00 176.35 177.54 1n2f s SER 34 N -1.59 -0.17 -0.16 2.29 0.01 -0.39 -2.13 113.70 111.56 1n2f s SER 34 Ca 0.14 0.32 -0.26 0.00 1.31 0.00 0.00 55.95 57.45 1n2f s SER 34 Cb -0.10 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 1n2f s SER 34 CO 0.05 -0.11 0.86 -0.89 0.41 0.00 0.00 173.24 173.56 1n2f s THR 35 N -0.08 4.86 0.71 1.44 2.01 -1.13 -4.62 115.64 118.83 1n2f s THR 35 Ca -0.02 1.71 -0.16 0.00 0.31 0.00 0.00 61.69 63.53 1n2f s THR 35 Cb -0.02 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.33 1n2f s THR 35 CO 0.00 0.01 1.08 -2.65 -0.69 0.00 0.00 174.62 172.37 1n2f n PRO 36 N 5.25 0.61 -0.30 4.92 -0.02 -1.26 -3.04 135.00 141.16 1n2f n PRO 36 Ca 0.05 0.27 -0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1n2f n PRO 36 Cb 0.49 -2.32 0.17 0.00 -0.02 0.00 0.00 33.50 31.82 1n2f n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n2f h ARG 37 N -0.15 1.16 0.00 -0.52 3.08 -1.71 -0.96 114.38 115.28 1n2f h ARG 37 Ca -0.48 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1n2f h ARG 37 Cb 1.33 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1n2f h ARG 37 CO 0.48 0.77 0.00 0.39 -1.07 0.00 0.00 179.97 180.55 1n2f n GLU 38 N -4.40 0.03 -0.16 0.04 4.71 -1.26 -0.97 120.64 118.62 1n2f n GLU 38 Ca 0.10 0.35 0.07 0.00 -0.01 0.00 0.00 57.16 57.67 1n2f n GLU 38 Cb 0.02 -1.50 0.15 0.00 -1.01 0.00 0.00 31.44 29.11 1n2f n GLU 38 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1n2f n MET 39 N -1.42 2.44 -0.49 3.49 2.81 -0.47 -4.92 117.12 118.57 1n2f n MET 39 Ca 0.02 -1.97 0.00 0.00 -1.81 0.00 0.00 57.70 53.93 1n2f n MET 39 Cb 0.05 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1n2f n MET 39 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n2f n GLY 40 N 0.70 0.73 4.02 3.03 0.00 -0.14 -4.96 105.19 108.57 1n2f n GLY 40 Ca 0.12 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1n2f n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n2f s GLY 41 N -2.19 1.72 0.00 -0.02 0.00 -0.59 -4.99 107.32 101.25 1n2f s GLY 41 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.69 1n2f s GLY 41 CO 0.00 -1.47 0.00 -1.06 0.00 0.00 0.00 173.10 170.57 1n2f n GLN 42 N -2.60 0.70 -0.76 2.90 1.13 -1.17 -3.99 117.38 113.58 1n2f n GLN 42 Ca 0.17 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.91 1n2f n GLN 42 Cb 0.61 -0.97 0.14 0.00 0.11 0.00 0.00 30.24 30.14 1n2f n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1n2f n GLY 43 N 3.27 -1.09 2.67 1.08 0.00 -1.22 -4.76 105.19 105.15 1n2f n GLY 43 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 1n2f n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n2f n GLY 44 N 0.84 -1.08 0.13 -0.02 0.00 -1.26 -4.09 105.19 99.71 1n2f n GLY 44 Ca 0.10 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1n2f n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2f n ALA 45 N 0.38 0.93 -2.19 4.61 0.00 -1.26 -5.14 120.51 117.84 1n2f n ALA 45 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1n2f n ALA 45 Cb 0.74 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.09 1n2f n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n2f s ALA 46 N 0.00 1.13 1.00 0.00 0.00 -1.26 -5.06 121.76 117.56 1n2f s ALA 46 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1n2f s ALA 46 Cb 0.00 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.32 1n2f s ALA 46 CO 0.00 -0.55 0.00 -2.37 0.00 0.00 0.00 175.76 172.84 1n2f n THR 47 N -0.23 0.00 -3.72 0.00 5.66 -1.10 -4.47 114.28 110.42 1n2f n THR 47 Ca -0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.93 1n2f n THR 47 Cb 0.65 -2.00 -0.02 0.00 -1.55 0.00 0.00 70.33 67.42 1n2f n THR 47 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1n2f s ASN 48 N -1.00 -0.28 0.25 1.09 2.20 -1.26 -1.73 114.94 114.21 1n2f s ASN 48 Ca 0.00 -0.38 -0.04 0.00 -0.94 0.00 0.00 52.86 51.50 1n2f s ASN 48 Cb 0.00 0.57 0.48 0.00 -2.00 0.00 0.00 41.25 40.30 1n2f s ASN 48 CO 0.00 -1.03 1.71 -0.65 -2.94 0.00 0.00 177.10 174.19 1n2f h PRO 49 N 2.00 0.35 -0.30 3.55 0.11 -1.94 -0.69 132.00 135.08 1n2f h PRO 49 Ca -0.23 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 1n2f h PRO 49 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1n2f h PRO 49 CO 0.27 0.23 -0.19 0.93 -0.21 0.00 0.00 178.00 179.03 1n2f h GLU 50 N 0.36 0.54 -0.29 1.05 3.07 -1.97 0.23 114.58 117.57 1n2f h GLU 50 Ca 0.42 -0.19 -0.14 0.00 -0.50 0.00 0.00 59.36 58.96 1n2f h GLU 50 Cb 0.69 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1n2f h GLU 50 CO -0.46 0.71 -0.37 0.37 -1.40 0.00 0.00 179.01 177.85 1n2f h GLN 51 N 0.49 0.76 -0.68 2.33 4.15 -1.70 0.06 115.11 120.52 1n2f h GLN 51 Ca 0.08 -0.43 -0.08 0.00 0.77 0.00 0.00 58.65 58.99 1n2f h GLN 51 Cb 0.61 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 1n2f h GLN 51 CO 0.04 1.06 0.11 -0.07 -1.93 0.00 0.00 178.83 178.04 1n2f h LEU 52 N 0.51 1.08 -0.56 -2.39 3.38 -0.90 -1.65 115.31 114.78 1n2f h LEU 52 Ca 0.03 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.60 1n2f h LEU 52 Cb 0.96 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1n2f h LEU 52 CO 0.09 1.06 -0.42 0.15 0.09 0.00 0.00 178.44 179.41 1n2f h PHE 53 N 1.05 0.82 -0.67 1.13 3.57 -0.86 -1.95 116.94 120.04 1n2f h PHE 53 Ca 0.21 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1n2f h PHE 53 Cb 0.44 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1n2f h PHE 53 CO 0.03 0.99 0.39 0.00 -2.23 0.00 0.00 178.31 177.49 1n2f h ALA 54 N 0.97 0.85 -0.07 2.41 0.00 -0.68 -0.33 119.26 122.41 1n2f h ALA 54 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1n2f h ALA 54 Cb 0.95 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1n2f h ALA 54 CO 0.09 0.33 0.01 0.00 0.00 0.00 0.00 179.25 179.68 1n2f h ALA 55 N 1.20 0.09 -0.15 0.00 0.00 -1.18 -2.64 119.26 116.57 1n2f h ALA 55 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n2f h ALA 55 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n2f h ALA 55 CO -0.04 -0.26 0.07 0.78 0.00 0.00 0.00 179.25 179.80 1n2f h GLY 56 N -0.13 0.24 0.90 0.00 0.00 -1.17 -2.18 103.07 100.73 1n2f h GLY 56 Ca 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1n2f h GLY 56 CO 0.00 0.12 0.22 -1.82 0.00 0.00 0.00 176.54 175.06 1n2f h TYR 57 N 0.10 0.41 -0.00 5.60 5.03 -1.13 -0.41 116.97 126.57 1n2f h TYR 57 Ca 0.05 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 1n2f h TYR 57 Cb 0.15 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.30 1n2f h TYR 57 CO -0.02 0.24 0.00 0.77 -1.32 0.00 0.00 178.16 177.83 1n2f h SER 58 N 0.44 0.00 -0.62 -2.11 0.02 -1.42 0.36 113.55 110.22 1n2f h SER 58 Ca 0.15 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1n2f h SER 58 Cb 0.02 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1n2f h SER 58 CO -0.08 0.05 0.17 0.00 -1.14 0.00 0.00 176.83 175.83 1n2f h ALA 59 N 0.95 1.07 -0.24 3.77 0.00 -1.28 -2.55 119.26 120.98 1n2f h ALA 59 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1n2f h ALA 59 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1n2f h ALA 59 CO -0.00 0.62 -0.33 0.00 0.00 0.00 0.00 179.25 179.54 1n2f h PHE 61 N 0.43 0.25 -0.59 0.00 3.04 -0.65 -1.18 116.94 118.25 1n2f h PHE 61 Ca 0.05 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 1n2f h PHE 61 Cb 0.79 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.22 1n2f h PHE 61 CO 0.03 0.58 0.17 0.82 -2.02 0.00 0.00 178.31 177.89 1n2f h ILE 62 N 0.19 1.25 -0.38 1.41 2.04 -1.28 -1.31 117.51 119.41 1n2f h ILE 62 Ca 0.02 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 1n2f h ILE 62 Cb 0.78 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1n2f h ILE 62 CO 0.06 0.32 0.09 1.23 0.00 0.00 0.00 178.15 179.85 1n2f h GLY 63 N 0.85 0.61 1.31 5.37 0.00 -1.23 -1.13 103.07 108.84 1n2f h GLY 63 Ca 0.19 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1n2f h GLY 63 CO -0.00 0.30 -0.11 0.00 0.00 0.00 0.00 176.54 176.73 1n2f h ALA 64 N 1.55 0.96 -0.41 3.60 0.00 -0.58 -0.64 119.26 123.73 1n2f h ALA 64 Ca 0.13 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1n2f h ALA 64 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1n2f h ALA 64 CO -0.00 0.61 -0.23 0.52 0.00 0.00 0.00 179.25 180.15 1n2f h MET 65 N 0.74 0.83 -0.45 0.00 2.07 -0.39 -1.44 114.93 116.29 1n2f h MET 65 Ca 0.12 -0.34 -0.11 0.00 -2.07 0.00 0.00 59.70 57.30 1n2f h MET 65 Cb 0.60 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.28 1n2f h MET 65 CO 0.04 0.97 -0.17 0.87 1.07 0.00 0.00 176.91 179.70 1n2f h LYS 66 N 0.72 0.86 -0.26 1.72 1.57 -1.03 0.84 116.57 120.98 1n2f h LYS 66 Ca 0.10 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1n2f h LYS 66 Cb 0.76 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1n2f h LYS 66 CO 0.06 0.96 0.15 0.35 -0.57 0.00 0.00 179.45 180.40 1n2f h PHE 67 N 0.76 0.36 -0.26 -1.35 3.57 -0.82 0.30 116.94 119.49 1n2f h PHE 67 Ca 0.11 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1n2f h PHE 67 Cb 0.69 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1n2f h PHE 67 CO 0.04 0.29 -0.32 0.28 -2.23 0.00 0.00 178.31 176.37 1n2f h VAL 68 N 0.32 1.31 -0.97 1.41 2.07 -1.13 -2.92 116.25 116.35 1n2f h VAL 68 Ca 0.09 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1n2f h VAL 68 Cb 0.05 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1n2f h VAL 68 CO -0.02 0.48 0.60 0.00 0.02 0.00 0.00 177.57 178.66 1n2f h ALA 69 N 0.67 1.23 0.00 1.67 0.00 -0.70 -0.73 119.26 121.40 1n2f h ALA 69 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n2f h ALA 69 Cb 0.90 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n2f h ALA 69 CO 0.08 0.66 -0.00 0.78 0.00 0.00 0.00 179.25 180.76 1n2f h GLY 70 N 1.32 0.00 0.96 0.00 0.00 -0.30 0.30 103.07 105.36 1n2f h GLY 70 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.36 1n2f h GLY 70 CO -0.07 0.00 -1.73 1.46 0.00 0.00 0.00 176.54 176.20 1n2f h GLN 71 N 0.00 0.17 -0.13 4.80 4.20 -0.98 -3.34 115.11 119.83 1n2f h GLN 71 Ca -0.00 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1n2f h GLN 71 Cb 0.18 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1n2f h GLN 71 CO 0.00 0.95 0.00 0.54 -0.67 0.00 0.00 178.83 179.65 1n2f n ARG 72 N -3.33 1.93 -3.56 1.46 1.74 -0.69 -4.95 116.66 109.26 1n2f n ARG 72 Ca -0.21 -1.38 -0.25 0.00 -0.77 0.00 0.00 57.85 55.25 1n2f n ARG 72 Cb 1.05 -1.45 0.07 0.00 -1.02 0.00 0.00 32.46 31.10 1n2f n ARG 72 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n2f n LYS 73 N 0.62 -7.28 -3.52 5.56 5.02 0.89 -5.00 118.16 114.45 1n2f n LYS 73 Ca 0.17 0.81 -0.20 0.00 -2.02 0.00 0.00 58.31 57.07 1n2f n LYS 73 Cb 0.42 -5.82 -0.01 0.00 -0.02 0.00 0.00 35.03 29.61 1n2f n LYS 73 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1n2f s GLN 74 N -6.28 3.20 -0.19 1.97 -0.21 -0.23 -5.03 119.66 112.89 1n2f s GLN 74 Ca 0.56 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 55.05 1n2f s GLN 74 Cb -0.25 -2.80 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 1n2f s GLN 74 CO 0.70 0.11 -0.08 0.95 -2.12 0.00 0.00 175.29 174.84 1n2f s THR 75 N -2.18 3.12 0.02 -0.19 -4.23 -1.26 -4.55 115.64 106.37 1n2f s THR 75 Ca 0.43 -0.59 -0.28 0.00 -1.18 0.00 0.00 61.69 60.06 1n2f s THR 75 Cb -0.09 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1n2f s THR 75 CO 0.32 0.46 0.90 -0.22 -0.54 0.00 0.00 174.62 175.54 1n2f s LEU 76 N 1.18 4.41 0.31 4.79 2.96 -1.26 -4.99 118.68 126.08 1n2f s LEU 76 Ca 0.02 1.59 -0.28 0.00 -0.22 0.00 0.00 54.13 55.25 1n2f s LEU 76 Cb -0.14 -3.45 -0.13 0.00 0.50 0.00 0.00 46.19 42.96 1n2f s LEU 76 CO -0.03 -0.15 1.05 -2.65 -1.32 0.00 0.00 176.35 173.25 1n2f n PRO 77 N 3.44 1.47 0.12 0.98 -0.02 -1.26 -4.86 135.00 134.86 1n2f n PRO 77 Ca 0.03 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 1n2f n PRO 77 Cb 0.50 -1.94 0.36 0.00 -0.02 0.00 0.00 33.50 32.40 1n2f n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n2f h ALA 78 N 2.01 1.42 -0.93 3.55 0.00 -1.94 -2.76 119.26 120.62 1n2f h ALA 78 Ca -0.41 -0.25 -0.48 0.00 0.00 0.00 0.00 54.91 53.77 1n2f h ALA 78 Cb 1.33 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.75 1n2f h ALA 78 CO 0.60 0.40 0.61 -0.40 0.00 0.00 0.00 179.25 180.46 1n2f n ASP 79 N -4.21 3.75 -4.78 0.00 5.68 -1.26 -4.97 116.55 110.76 1n2f n ASP 79 Ca -0.01 -3.50 -0.34 0.00 -0.50 0.00 0.00 54.79 50.44 1n2f n ASP 79 Cb 0.32 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 1n2f n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n2f s ALA 80 N -3.10 2.71 0.15 2.12 0.00 -1.04 -4.75 121.76 117.84 1n2f s ALA 80 Ca 0.54 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 52.96 1n2f s ALA 80 Cb 0.45 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 20.32 1n2f s ALA 80 CO 0.10 -0.73 0.74 -1.54 0.00 0.00 0.00 175.76 174.33 1n2f s SER 81 N -2.01 -0.41 -0.04 0.00 1.04 -0.97 -5.03 113.70 106.28 1n2f s SER 81 Ca 0.70 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.95 1n2f s SER 81 Cb -0.21 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1n2f s SER 81 CO 0.28 -0.96 -0.02 -0.63 0.98 0.00 0.00 173.24 172.89 1n2f s ILE 82 N -3.58 0.32 -0.44 -1.02 1.01 -1.26 -1.44 121.20 114.79 1n2f s ILE 82 Ca 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1n2f s ILE 82 Cb -0.02 -0.39 0.10 0.00 0.01 0.00 0.00 42.46 42.16 1n2f s ILE 82 CO -0.06 0.18 0.29 -0.89 0.00 0.00 0.00 174.94 174.45 1n2f s THR 83 N 0.97 4.05 0.06 2.92 2.01 -0.64 -4.91 115.64 120.10 1n2f s THR 83 Ca -0.10 -1.67 -0.20 0.00 0.31 0.00 0.00 61.69 60.02 1n2f s THR 83 Cb -0.14 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 1n2f s THR 83 CO -0.01 -0.65 0.59 -0.83 -0.69 0.00 0.00 174.62 173.03 1n2f s GLY 84 N 2.31 2.67 -0.14 4.40 0.00 -1.26 -1.74 107.32 113.56 1n2f s GLY 84 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.83 1n2f s GLY 84 CO -0.00 0.56 -0.17 0.54 0.00 0.00 0.00 173.10 174.02 1n2f s LYS 85 N -0.88 2.56 -0.23 2.90 1.02 -0.62 -4.89 119.74 119.61 1n2f s LYS 85 Ca 0.30 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.63 1n2f s LYS 85 Cb -0.19 -2.19 0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1n2f s LYS 85 CO 0.19 -0.13 -0.14 0.08 -0.92 0.00 0.00 175.35 174.43 1n2f s VAL 86 N 1.15 2.23 0.20 3.17 1.01 -1.26 -1.68 120.40 125.22 1n2f s VAL 86 Ca -0.01 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1n2f s VAL 86 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1n2f s VAL 86 CO -0.06 0.24 0.35 -0.83 0.00 0.00 0.00 175.10 174.79 1n2f s GLY 87 N 1.21 1.60 -0.02 4.51 0.00 -0.17 -4.87 107.32 109.58 1n2f s GLY 87 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1n2f s GLY 87 CO -0.08 -1.00 -0.04 -1.50 0.00 0.00 0.00 173.10 170.48 1n2f s ILE 88 N -1.87 0.38 0.21 0.90 2.07 -1.26 -2.09 121.20 119.54 1n2f s ILE 88 Ca 0.36 -0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1n2f s ILE 88 Cb -0.10 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.13 1n2f s ILE 88 CO 0.29 0.14 0.32 0.61 -1.91 0.00 0.00 174.94 174.40 1n2f n GLY 89 N 3.46 2.28 3.80 1.50 0.00 -0.18 -4.97 105.19 111.08 1n2f n GLY 89 Ca -0.19 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 1n2f n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n2f s GLN 90 N -2.37 4.34 0.11 1.61 -0.44 -1.26 -0.29 119.66 121.36 1n2f s GLN 90 Ca 0.15 0.96 -0.02 0.00 -2.50 0.00 0.00 55.36 53.95 1n2f s GLN 90 Cb -0.01 -2.95 -0.03 0.00 -1.64 0.00 0.00 33.01 28.37 1n2f s GLN 90 CO 0.11 0.42 0.06 0.96 0.50 0.00 0.00 175.29 177.34 1n2f s ILE 91 N -1.45 0.14 -0.10 -2.34 -4.36 -0.43 -4.70 121.20 107.96 1n2f s ILE 91 Ca 0.42 -1.79 -0.33 0.00 -0.26 0.00 0.00 60.65 58.69 1n2f s ILE 91 Cb -0.18 -1.82 -0.10 0.00 1.25 0.00 0.00 42.46 41.60 1n2f s ILE 91 CO 0.22 -0.63 1.96 -2.65 0.24 0.00 0.00 174.94 174.09 1n2f n PRO 92 N -0.04 2.23 -0.75 0.37 -0.02 -1.26 -1.63 135.00 133.91 1n2f n PRO 92 Ca -0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1n2f n PRO 92 Cb 0.63 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1n2f n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2f n GLY 93 N 4.74 0.71 0.00 -1.23 0.00 -1.26 -4.91 105.19 103.24 1n2f n GLY 93 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1n2f n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n2f n GLY 94 N -2.50 -0.69 3.32 -0.02 0.00 -0.64 -5.15 105.19 99.50 1n2f n GLY 94 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1n2f n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n2f s PHE 95 N -4.00 1.70 0.17 1.61 0.40 -1.26 -1.32 117.98 115.29 1n2f s PHE 95 Ca 0.00 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1n2f s PHE 95 Cb 0.00 -0.85 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 1n2f s PHE 95 CO 0.00 0.30 0.02 0.20 0.70 0.00 0.00 175.22 176.43 1n2f s GLY 96 N -2.76 1.21 0.43 4.36 0.00 0.61 -4.77 107.32 106.39 1n2f s GLY 96 Ca 0.16 -1.59 0.07 0.00 0.00 0.00 0.00 44.72 43.36 1n2f s GLY 96 CO 0.06 -1.50 0.17 1.08 0.00 0.00 0.00 173.10 172.91 1n2f s LEU 97 N -3.16 3.02 -0.19 0.66 1.43 -1.26 -1.01 118.68 118.18 1n2f s LEU 97 Ca 0.25 -1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.03 1n2f s LEU 97 Cb 0.06 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.99 1n2f s LEU 97 CO 0.04 -0.59 0.51 -1.83 0.23 0.00 0.00 176.35 174.70 1n2f s GLU 98 N -3.92 0.59 0.03 1.70 -1.05 -0.89 -4.44 118.70 110.72 1n2f s GLU 98 Ca 0.38 0.71 0.05 0.00 -0.15 0.00 0.00 54.97 55.96 1n2f s GLU 98 Cb 0.04 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 1n2f s GLU 98 CO 0.21 -0.07 -0.16 0.08 0.95 0.00 0.00 175.26 176.27 1n2f s VAL 99 N 0.30 1.24 -0.10 1.83 1.01 -0.04 -1.00 120.40 123.64 1n2f s VAL 99 Ca -0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1n2f s VAL 99 Cb -0.04 -1.09 0.05 0.00 0.00 0.00 0.00 36.38 35.30 1n2f s VAL 99 CO 0.00 0.13 0.10 -0.70 0.00 0.00 0.00 175.10 174.64 1n2f s GLU 100 N -0.94 0.00 -0.25 2.72 2.12 -0.68 0.22 118.70 121.90 1n2f s GLU 100 Ca 0.04 0.27 -0.10 0.00 0.36 0.00 0.00 54.97 55.54 1n2f s GLU 100 Cb -0.07 -0.89 -0.05 0.00 0.26 0.00 0.00 34.13 33.38 1n2f s GLU 100 CO 0.01 -0.45 0.15 -0.51 -0.54 0.00 0.00 175.26 173.92 1n2f s LEU 101 N 2.20 4.01 -0.73 2.70 1.43 0.12 -1.58 118.68 126.82 1n2f s LEU 101 Ca 0.04 0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 1n2f s LEU 101 Cb -0.13 -2.08 0.18 0.00 0.03 0.00 0.00 46.19 44.18 1n2f s LEU 101 CO -0.06 0.04 0.69 -1.00 0.23 0.00 0.00 176.35 176.25 1n2f s HIS 102 N 1.23 3.53 -0.24 0.29 3.76 -0.71 -0.05 115.29 123.10 1n2f s HIS 102 Ca 0.07 -1.69 -0.22 0.00 -0.15 0.00 0.00 55.06 53.07 1n2f s HIS 102 Cb -0.14 -3.84 -0.01 0.00 1.11 0.00 0.00 32.58 29.69 1n2f s HIS 102 CO 0.06 -1.04 0.71 0.42 -0.85 0.00 0.00 174.74 174.04 1n2f s ILE 103 N 0.87 4.93 -0.29 0.60 1.01 0.58 -1.62 121.20 127.28 1n2f s ILE 103 Ca 0.13 1.32 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 1n2f s ILE 103 Cb -0.17 -4.01 0.05 0.00 0.01 0.00 0.00 42.46 38.34 1n2f s ILE 103 CO -0.04 0.01 -0.01 0.21 0.00 0.00 0.00 174.94 175.10 1n2f s ASN 104 N 1.36 4.82 -0.71 3.58 2.47 -0.52 0.60 114.94 126.55 1n2f s ASN 104 Ca 0.30 -1.23 0.05 0.00 0.42 0.00 0.00 52.86 52.40 1n2f s ASN 104 Cb -0.16 -1.70 0.22 0.00 -1.45 0.00 0.00 41.25 38.16 1n2f s ASN 104 CO 0.09 -0.24 0.68 0.18 -3.72 0.00 0.00 177.10 174.08 1n2f n LEU 105 N 4.62 3.61 -4.68 3.21 4.77 -0.88 -2.30 117.00 125.35 1n2f n LEU 105 Ca -0.14 -5.32 -0.48 0.00 -0.03 0.00 0.00 56.01 50.04 1n2f n LEU 105 Cb 0.44 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 1n2f n LEU 105 CO 0.26 1.88 1.47 -0.81 -1.33 0.00 0.00 177.39 178.86 1n2f n PRO 106 N 1.43 2.16 0.00 3.23 -0.04 -1.26 -2.38 135.00 138.14 1n2f n PRO 106 Ca 0.25 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1n2f n PRO 106 Cb 0.38 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1n2f n PRO 106 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n2f n GLY 107 N 4.33 2.91 3.75 0.55 0.00 -1.26 -4.81 105.19 110.67 1n2f n GLY 107 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1n2f n GLY 107 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n2f s MET 108 N -0.38 2.56 -0.03 1.61 -1.94 -1.00 -4.97 119.30 115.14 1n2f s MET 108 Ca 0.00 1.50 -0.30 0.00 -1.71 0.00 0.00 55.69 55.18 1n2f s MET 108 Cb 0.00 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 1n2f s MET 108 CO 0.00 -1.46 1.28 -2.00 -0.01 0.00 0.00 175.02 172.83 1n2f s GLU 109 N -4.06 4.32 0.30 2.03 2.12 -1.26 -4.89 118.70 117.25 1n2f s GLU 109 Ca 0.69 1.79 0.02 0.00 0.36 0.00 0.00 54.97 57.83 1n2f s GLU 109 Cb -0.23 -3.57 0.74 0.00 0.26 0.00 0.00 34.13 31.33 1n2f s GLU 109 CO 0.43 -0.50 1.60 -0.09 -0.54 0.00 0.00 175.26 176.16 1n2f h ARG 110 N 7.62 0.08 0.22 4.30 2.43 -1.94 0.10 114.38 127.20 1n2f h ARG 110 Ca -0.36 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1n2f h ARG 110 Cb 1.17 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1n2f h ARG 110 CO 0.89 0.05 -0.23 1.49 -1.51 0.00 0.00 179.97 180.66 1n2f h GLU 111 N 0.08 -0.48 -0.93 0.20 4.57 -1.92 -1.68 114.58 114.42 1n2f h GLU 111 Ca 0.58 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.79 1n2f h GLU 111 Cb 1.20 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.85 1n2f h GLU 111 CO -0.80 -0.32 0.59 0.00 -1.18 0.00 0.00 179.01 177.31 1n2f h ALA 112 N 0.20 1.18 -0.38 2.92 0.00 -1.28 -2.62 119.26 119.28 1n2f h ALA 112 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1n2f h ALA 112 Cb 0.47 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n2f h ALA 112 CO -0.06 0.61 0.11 0.00 0.00 0.00 0.00 179.25 179.91 1n2f h ALA 113 N 1.32 0.50 -0.05 0.00 0.00 -0.77 -1.69 119.26 118.57 1n2f h ALA 113 Ca 0.34 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1n2f h ALA 113 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1n2f h ALA 113 CO -0.07 0.15 -0.29 0.93 0.00 0.00 0.00 179.25 179.97 1n2f h GLU 114 N 0.47 0.09 -0.24 0.00 5.08 -1.18 -1.35 114.58 117.45 1n2f h GLU 114 Ca 0.12 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 1n2f h GLU 114 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1n2f h GLU 114 CO -0.00 0.38 -0.59 0.00 -1.00 0.00 0.00 179.01 177.80 1n2f h ALA 115 N 1.63 0.39 -0.56 3.43 0.00 -1.25 -1.00 119.26 121.90 1n2f h ALA 115 Ca 0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1n2f h ALA 115 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1n2f h ALA 115 CO 0.04 0.63 0.20 1.25 0.00 0.00 0.00 179.25 181.38 1n2f h LEU 116 N 0.57 0.79 -0.63 0.00 5.85 -1.02 -0.87 115.31 120.00 1n2f h LEU 116 Ca -0.01 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.41 1n2f h LEU 116 Cb 1.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1n2f h LEU 116 CO 0.13 0.76 -0.20 0.58 -0.34 0.00 0.00 178.44 179.37 1n2f h VAL 117 N 0.77 1.27 -0.59 1.05 2.07 -1.22 0.15 116.25 119.74 1n2f h VAL 117 Ca 0.18 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 1n2f h VAL 117 Cb 0.23 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1n2f h VAL 117 CO -0.01 0.45 -0.02 0.00 0.02 0.00 0.00 177.57 178.01 1n2f h ALA 118 N 1.01 0.83 -0.10 1.67 0.00 -0.92 -1.22 119.26 120.55 1n2f h ALA 118 Ca 0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1n2f h ALA 118 Cb 0.73 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n2f h ALA 118 CO 0.06 0.67 -0.27 0.00 0.00 0.00 0.00 179.25 179.71 1n2f h ALA 119 N 1.00 0.16 0.00 0.00 0.00 -0.96 -3.14 119.26 116.32 1n2f h ALA 119 Ca 0.17 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1n2f h ALA 119 Cb 0.58 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1n2f h ALA 119 CO 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 1n2f h ALA 120 N 0.48 1.82 0.00 0.00 0.00 -0.66 -0.90 119.26 120.01 1n2f h ALA 120 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1n2f h ALA 120 Cb 0.89 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1n2f h ALA 120 CO 0.06 0.04 -0.12 1.25 0.00 0.00 0.00 179.25 180.48 1n2f h HIS 121 N 0.00 0.00 0.00 0.00 2.76 -1.17 -0.01 115.15 116.73 1n2f h HIS 121 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1n2f h HIS 121 Cb 0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1n2f h HIS 121 CO 0.00 0.12 -0.70 1.96 -1.30 0.00 0.00 177.93 178.01 1n2f h GLN 122 N 0.00 0.00 0.06 5.26 1.08 -1.19 -3.37 115.11 116.95 1n2f h GLN 122 Ca -0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 1n2f h GLN 122 Cb 0.51 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1n2f h GLN 122 CO 0.02 0.00 -2.09 0.28 -0.95 0.00 0.00 178.83 176.08 1n2f n VAL 123 N -2.65 1.64 -1.68 -0.54 0.31 -0.82 -4.87 118.33 109.71 1n2f n VAL 123 Ca 0.02 -0.69 -0.47 0.00 -0.01 0.00 0.00 64.34 63.19 1n2f n VAL 123 Cb 0.52 -1.39 -0.04 0.00 -0.91 0.00 0.00 33.84 32.02 1n2f n VAL 123 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n2f h PRO 125 N 9.02 0.23 0.00 0.00 0.13 -1.92 -0.57 132.00 138.90 1n2f h PRO 125 Ca -0.48 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 1n2f h PRO 125 Cb 1.26 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1n2f h PRO 125 CO 0.94 0.23 -0.53 1.88 -0.23 0.00 0.00 178.00 180.29 1n2f h TYR 126 N 0.23 0.00 -0.01 1.56 0.05 -1.96 0.97 116.97 117.81 1n2f h TYR 126 Ca 0.06 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.61 1n2f h TYR 126 Cb 0.10 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.85 1n2f h TYR 126 CO 0.00 0.53 -0.94 0.77 -1.05 0.00 0.00 178.16 177.47 1n2f h SER 127 N 0.00 0.60 0.27 3.88 0.02 -1.57 -2.51 113.55 114.24 1n2f h SER 127 Ca -0.01 -0.48 -0.17 0.00 -0.84 0.00 0.00 61.79 60.30 1n2f h SER 127 Cb 1.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1n2f h SER 127 CO 0.07 1.27 -0.67 0.78 -1.14 0.00 0.00 176.83 177.14 1n2f h ASN 128 N 0.27 0.42 0.35 3.07 2.35 -0.90 -2.34 115.58 118.79 1n2f h ASN 128 Ca -0.08 -0.26 -0.12 0.00 -0.55 0.00 0.00 56.30 55.28 1n2f h ASN 128 Cb 1.58 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 1n2f h ASN 128 CO 0.17 0.97 -0.50 0.00 -1.65 0.00 0.00 177.43 176.42 1n2f h ALA 129 N 1.03 1.03 -0.44 -0.83 0.00 -0.80 -3.18 119.26 116.06 1n2f h ALA 129 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1n2f h ALA 129 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1n2f h ALA 129 CO 0.11 0.65 0.00 0.25 0.00 0.00 0.00 179.25 180.26 1n2f n THR 130 N -3.95 0.63 -1.67 0.00 -2.24 -0.95 -4.98 114.28 101.12 1n2f n THR 130 Ca -0.02 -0.82 -0.48 0.00 -2.27 0.00 0.00 64.05 60.47 1n2f n THR 130 Cb 0.54 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 1n2f n THR 130 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1n2f n ARG 131 N 1.38 2.05 -0.62 -0.78 3.00 -0.89 -2.36 116.66 118.45 1n2f n ARG 131 Ca 0.19 0.75 0.00 0.00 -0.00 0.00 0.00 57.85 58.79 1n2f n ARG 131 Cb 0.57 -2.54 0.00 0.00 0.00 0.00 0.00 32.46 30.50 1n2f n ARG 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n2f n GLY 132 N 3.82 0.92 0.12 5.14 0.00 -1.26 -4.80 105.19 109.12 1n2f n GLY 132 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1n2f n GLY 132 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n2f n ASN 133 N 0.00 1.49 -4.29 1.61 5.03 -0.99 -5.03 115.26 113.08 1n2f n ASN 133 Ca 0.00 -0.09 -0.15 0.00 0.87 0.00 0.00 54.58 55.20 1n2f n ASN 133 Cb 0.00 -0.08 -0.10 0.00 -1.02 0.00 0.00 39.78 38.58 1n2f n ASN 133 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1n2f s ILE 134 N -2.51 0.80 -0.26 2.41 -4.36 -1.21 -5.01 121.20 111.05 1n2f s ILE 134 Ca -0.28 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 57.86 1n2f s ILE 134 Cb 0.08 -2.30 -0.00 0.00 1.25 0.00 0.00 42.46 41.49 1n2f s ILE 134 CO 0.66 -0.33 0.81 -0.62 0.24 0.00 0.00 174.94 175.70 1n2f s ASP 135 N -3.25 6.77 -0.31 4.36 2.15 -1.26 -4.92 116.67 120.21 1n2f s ASP 135 Ca 0.28 0.91 0.03 0.00 0.43 0.00 0.00 52.55 54.21 1n2f s ASP 135 Cb 0.06 -2.43 0.08 0.00 -0.30 0.00 0.00 42.92 40.34 1n2f s ASP 135 CO 0.07 -0.55 -0.00 -0.69 -0.17 0.00 0.00 175.17 173.83 1n2f s VAL 136 N 2.88 2.29 -0.12 1.11 1.01 -1.25 -0.86 120.40 125.46 1n2f s VAL 136 Ca 0.34 -2.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 1n2f s VAL 136 Cb -0.15 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1n2f s VAL 136 CO 0.09 -0.38 0.40 -0.13 0.00 0.00 0.00 175.10 175.08 1n2f s ARG 137 N 0.99 4.25 -0.40 2.72 0.52 0.13 -4.96 118.95 122.21 1n2f s ARG 137 Ca 0.03 0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 55.49 1n2f s ARG 137 Cb -0.19 -3.40 0.08 0.00 0.52 0.00 0.00 34.95 31.95 1n2f s ARG 137 CO -0.07 0.26 0.20 -0.51 0.02 0.00 0.00 175.30 175.21 1n2f s LEU 138 N 0.33 4.97 -0.44 2.53 1.43 -1.26 0.12 118.68 126.36 1n2f s LEU 138 Ca 0.22 -1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 51.58 1n2f s LEU 138 Cb -0.14 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.22 1n2f s LEU 138 CO 0.08 -0.49 0.36 0.21 0.23 0.00 0.00 176.35 176.74 1n2f s ASN 139 N 1.90 6.13 -0.15 2.29 3.04 0.93 -4.97 114.94 124.12 1n2f s ASN 139 Ca 0.03 -1.11 -0.16 0.00 0.04 0.00 0.00 52.86 51.66 1n2f s ASN 139 Cb -0.22 -2.18 -0.04 0.00 -1.54 0.00 0.00 41.25 37.27 1n2f s ASN 139 CO 0.00 -0.56 0.39 -0.69 -3.04 0.00 0.00 177.10 173.20 1n2f s VAL 140 N 1.69 5.24 -0.10 -5.21 1.01 -1.26 -0.31 120.40 121.46 1n2f s VAL 140 Ca 0.05 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1n2f s VAL 140 Cb -0.22 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1n2f s VAL 140 CO 0.08 0.34 -0.15 -0.55 0.00 0.00 0.00 175.10 174.82 1n2f s SER 141 N 0.63 3.87 0.00 3.32 0.15 0.20 -4.96 113.70 116.90 1n2f s SER 141 Ca 0.21 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1n2f s SER 141 Cb -0.14 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1n2f s SER 141 CO 0.07 0.22 0.00 0.52 1.20 0.00 0.00 173.24 175.26