#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kln n ASN 5 N 0.00 -2.26 -3.86 4.31 4.05 -1.26 -4.95 115.26 111.29 3kln n ASN 5 Ca 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.88 3kln n ASN 5 Cb 0.00 -1.80 -0.15 0.00 1.23 0.00 0.00 39.78 39.06 3kln n ASN 5 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3kln s LYS 6 N -0.84 0.22 0.57 1.20 2.20 -1.26 -5.03 119.74 116.80 3kln s LYS 6 Ca 0.00 -0.00 -0.20 0.00 -0.36 0.00 0.00 55.97 55.41 3kln s LYS 6 Cb 0.00 -0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 35.96 3kln s LYS 6 CO 0.00 -0.04 1.12 -0.11 -0.36 0.00 0.00 175.35 175.97 3kln n LEU 7 N 3.54 4.37 -4.33 5.43 7.94 0.57 -4.66 117.00 129.87 3kln n LEU 7 Ca -0.19 0.89 -0.46 0.00 -1.11 0.00 0.00 56.01 55.14 3kln n LEU 7 Cb 0.55 -1.46 -0.05 0.00 0.53 0.00 0.00 43.42 43.00 3kln n LEU 7 CO 0.24 -1.34 0.26 0.21 -1.11 0.00 0.00 177.39 175.65 3kln s ASN 8 N -1.10 6.25 0.22 1.96 3.84 -1.26 0.08 114.94 124.92 3kln s ASN 8 Ca 0.74 -1.78 0.05 0.00 0.21 0.00 0.00 52.86 52.08 3kln s ASN 8 Cb -0.43 -2.24 -0.03 0.00 -0.55 0.00 0.00 41.25 38.00 3kln s ASN 8 CO 0.48 -0.91 0.28 -0.69 -2.79 0.00 0.00 177.10 173.47 3kln s VAL 9 N 1.80 4.99 -0.09 -5.21 1.01 -0.46 -1.49 120.40 120.95 3kln s VAL 9 Ca 0.07 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 3kln s VAL 9 Cb -0.26 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.50 3kln s VAL 9 CO 0.03 -0.26 0.14 -0.60 0.00 0.00 0.00 175.10 174.40 3kln s ARG 10 N -3.70 0.02 -0.32 2.72 6.06 0.29 -3.20 118.95 120.82 3kln s ARG 10 Ca 0.33 0.46 -0.15 0.00 -2.50 0.00 0.00 55.73 53.88 3kln s ARG 10 Cb -0.09 -0.48 -0.02 0.00 0.06 0.00 0.00 34.95 34.42 3kln s ARG 10 CO 0.27 -0.36 0.36 1.41 -2.50 0.00 0.00 175.30 174.49 3kln s MET 11 N 2.26 3.71 -1.24 5.12 -2.45 -0.28 -0.43 119.30 125.99 3kln s MET 11 Ca 0.04 -0.27 -0.13 0.00 -1.25 0.00 0.00 55.69 54.07 3kln s MET 11 Cb -0.12 -3.76 0.15 0.00 1.25 0.00 0.00 34.83 32.35 3kln s MET 11 CO -0.06 -0.44 1.59 1.28 1.05 0.00 0.00 175.02 178.44 3kln n LEU 12 N 5.37 5.53 -4.39 4.11 4.32 0.09 -1.22 117.00 130.81 3kln n LEU 12 Ca -0.09 -4.42 -0.22 0.00 -0.02 0.00 0.00 56.01 51.26 3kln n LEU 12 Cb 0.50 -1.61 -0.08 0.00 -1.62 0.00 0.00 43.42 40.61 3kln n LEU 12 CO 0.39 0.80 -0.17 -0.55 -1.22 0.00 0.00 177.39 176.65 3kln s SER 13 N 2.60 2.05 0.49 -1.43 0.15 -1.18 -2.93 113.70 113.45 3kln s SER 13 Ca 0.44 -1.66 -0.13 0.00 0.70 0.00 0.00 55.95 55.30 3kln s SER 13 Cb 0.01 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.74 3kln s SER 13 CO 0.01 -0.96 0.89 1.51 1.20 0.00 0.00 173.24 175.90 3kln s ASP 14 N -3.46 6.50 -0.03 5.45 1.47 -1.26 -2.32 116.67 123.01 3kln s ASP 14 Ca 0.33 1.33 -0.27 0.00 1.18 0.00 0.00 52.55 55.12 3kln s ASP 14 Cb 0.03 -2.41 -0.03 0.00 -0.34 0.00 0.00 42.92 40.17 3kln s ASP 14 CO 0.19 -0.56 0.87 0.68 0.68 0.00 0.00 175.17 177.04 3kln s VAL 15 N -2.62 4.94 0.28 2.11 -7.23 -1.26 -4.72 120.40 111.89 3kln s VAL 15 Ca 0.55 1.81 -0.19 0.00 -1.81 0.00 0.00 61.98 62.34 3kln s VAL 15 Cb -0.10 -4.21 0.07 0.00 0.56 0.00 0.00 36.38 32.70 3kln s VAL 15 CO 0.36 0.19 0.93 0.00 -0.31 0.00 0.00 175.10 176.26 3kln h MET 17 N 2.00 1.16 0.55 0.00 2.86 -1.99 -2.27 114.93 117.24 3kln h MET 17 Ca -0.30 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 3kln h MET 17 Cb 1.23 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 32.65 3kln h MET 17 CO 0.39 0.80 -0.27 1.96 1.06 0.00 0.00 176.91 180.85 3kln h GLN 18 N 1.18 -0.72 -0.57 1.72 7.50 -1.96 -1.42 115.11 120.84 3kln h GLN 18 Ca 0.31 0.05 0.09 0.00 0.50 0.00 0.00 58.65 59.60 3kln h GLN 18 Cb -0.08 0.16 -0.11 0.00 0.05 0.00 0.00 27.48 27.50 3kln h GLN 18 CO -0.06 -0.41 -0.43 0.77 -1.50 0.00 0.00 178.83 177.21 3kln h SER 19 N -0.99 -1.46 -0.58 1.46 0.02 -1.83 0.31 113.55 110.49 3kln h SER 19 Ca -0.08 0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3kln h SER 19 Cb 0.64 0.67 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 3kln h SER 19 CO 0.12 -0.33 0.38 0.03 -1.14 0.00 0.00 176.83 175.89 3kln h ARG 20 N -0.22 0.63 -0.38 3.45 3.08 -1.44 0.48 114.38 119.96 3kln h ARG 20 Ca 0.18 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 3kln h ARG 20 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3kln h ARG 20 CO -0.68 0.41 -0.19 1.25 -1.07 0.00 0.00 179.97 179.69 3kln h LEU 21 N 0.64 0.83 -0.73 3.04 5.85 0.36 -1.59 115.31 123.72 3kln h LEU 21 Ca 0.24 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 3kln h LEU 21 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3kln h LEU 21 CO -0.06 1.06 0.07 0.25 -0.34 0.00 0.00 178.44 179.41 3kln h LEU 22 N 0.61 1.00 -0.30 2.25 5.85 0.03 -2.69 115.31 122.06 3kln h LEU 22 Ca 0.08 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3kln h LEU 22 Cb 0.75 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3kln h LEU 22 CO 0.06 1.02 0.07 0.50 -0.34 0.00 0.00 178.44 179.75 3kln h LYS 23 N 0.97 0.18 -0.27 1.25 3.64 0.25 -2.09 116.57 120.51 3kln h LYS 23 Ca 0.19 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.37 3kln h LYS 23 Cb 0.47 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3kln h LYS 23 CO 0.02 0.12 -0.56 1.05 -2.27 0.00 0.00 179.45 177.80 3kln h GLU 24 N 0.19 0.85 -0.74 1.90 4.11 -1.32 -2.07 114.58 117.49 3kln h GLU 24 Ca 0.14 -0.55 0.15 0.00 0.07 0.00 0.00 59.36 59.17 3kln h GLU 24 Cb 0.14 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3kln h GLU 24 CO -0.17 1.18 0.50 0.00 0.07 0.00 0.00 179.01 180.58 3kln h ALA 25 N 0.70 2.11 0.00 1.06 0.00 -1.31 -0.19 119.26 121.64 3kln h ALA 25 Ca 0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3kln h ALA 25 Cb 1.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kln h ALA 25 CO 0.12 -0.31 -0.53 -0.07 0.00 0.00 0.00 179.25 178.46 3kln h LEU 26 N 0.41 0.46 -2.59 0.00 3.38 -1.23 -3.08 115.31 112.67 3kln h LEU 26 Ca 0.36 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3kln h LEU 26 Cb 0.83 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kln h LEU 26 CO -0.11 1.17 0.00 -0.33 0.09 0.00 0.00 178.44 179.26 3kln h GLU 27 N -0.20 0.00 0.00 1.13 5.08 -0.62 -2.18 114.58 117.79 3kln h GLU 27 Ca -0.07 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 3kln h GLU 27 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 3kln h GLU 27 CO 0.10 0.00 -1.50 0.77 -1.00 0.00 0.00 179.01 177.38 3kln h SER 28 N 0.00 0.00 0.00 1.42 0.02 -1.08 -3.38 113.55 110.53 3kln h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kln h SER 28 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3kln h SER 28 CO 0.00 0.83 -1.20 0.29 -1.14 0.00 0.00 176.83 175.61 3kln n LYS 29 N -3.02 1.19 -4.04 3.45 4.01 -1.11 -5.02 118.16 113.61 3kln n LYS 29 Ca -0.12 -0.07 -0.11 0.00 -0.51 0.00 0.00 58.31 57.50 3kln n LYS 29 Cb 0.96 -1.31 -0.11 0.00 -0.51 0.00 0.00 35.03 34.05 3kln n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3kln s LEU 30 N -3.38 2.30 -0.08 -0.35 1.43 -0.84 -5.05 118.68 112.71 3kln s LEU 30 Ca 0.00 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 3kln s LEU 30 Cb 0.11 -0.02 -0.14 0.00 0.03 0.00 0.00 46.19 46.17 3kln s LEU 30 CO 0.66 -0.30 2.19 -2.65 0.23 0.00 0.00 176.35 176.48 3kln n PRO 31 N 1.25 1.17 -4.40 1.29 -0.02 -1.26 -4.58 135.00 128.44 3kln n PRO 31 Ca -0.21 -0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 60.43 3kln n PRO 31 Cb 0.56 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 3kln n PRO 31 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kln s LEU 32 N 0.01 2.57 -0.27 2.45 0.05 -1.26 -0.32 118.68 121.91 3kln s LEU 32 Ca 0.37 -1.03 0.02 0.00 0.05 0.00 0.00 54.13 53.54 3kln s LEU 32 Cb 0.17 -0.86 0.07 0.00 -2.05 0.00 0.00 46.19 43.52 3kln s LEU 32 CO -0.00 -0.09 -0.05 0.00 -0.55 0.00 0.00 176.35 175.66 3kln s ALA 33 N -2.77 2.44 0.07 1.48 0.00 0.11 -4.70 121.76 118.39 3kln s ALA 33 Ca 0.26 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.41 3kln s ALA 33 Cb -0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3kln s ALA 33 CO 0.11 -1.32 0.20 -1.17 0.00 0.00 0.00 175.76 173.58 3kln s LEU 34 N 1.15 4.28 -0.06 0.00 0.20 -1.26 -1.36 118.68 121.63 3kln s LEU 34 Ca -0.03 0.22 -0.10 0.00 0.69 0.00 0.00 54.13 54.91 3kln s LEU 34 Cb -0.19 -2.89 0.02 0.00 -0.43 0.00 0.00 46.19 42.70 3kln s LEU 34 CO -0.07 0.16 0.25 -1.61 -0.29 0.00 0.00 176.35 174.79 3kln s GLU 35 N -2.57 0.43 -0.29 1.98 8.01 -1.19 -4.98 118.70 120.07 3kln s GLU 35 Ca 0.34 0.10 -0.08 0.00 0.01 0.00 0.00 54.97 55.33 3kln s GLU 35 Cb -0.13 0.19 -0.01 0.00 -4.31 0.00 0.00 34.13 29.88 3kln s GLU 35 CO 0.27 -0.09 0.12 0.42 0.01 0.00 0.00 175.26 176.00 3kln s ILE 36 N -0.48 4.40 -0.16 -1.63 1.01 -1.26 -1.12 121.20 121.95 3kln s ILE 36 Ca -0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 3kln s ILE 36 Cb -0.04 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 3kln s ILE 36 CO 0.01 0.12 -0.08 -0.89 0.00 0.00 0.00 174.94 174.10 3kln s THR 37 N 1.59 3.31 0.60 2.92 2.01 -0.36 -4.92 115.64 120.78 3kln s THR 37 Ca 0.04 -0.55 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 3kln s THR 37 Cb -0.17 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 3kln s THR 37 CO 0.05 0.49 1.08 -2.84 -0.69 0.00 0.00 174.62 172.71 3kln s PRO 38 N 0.73 3.19 0.09 4.92 0.02 -0.98 -3.13 135.00 139.84 3kln s PRO 38 Ca -0.04 1.34 -0.34 0.00 0.02 0.00 0.00 61.00 61.98 3kln s PRO 38 Cb -0.15 -2.01 -0.15 0.00 0.02 0.00 0.00 34.50 32.21 3kln s PRO 38 CO 0.02 -0.93 1.58 0.74 -0.33 0.00 0.00 177.00 178.08 3kln h PHE 39 N 0.52 -1.24 -1.53 6.54 0.04 -1.85 -2.61 116.94 116.80 3kln h PHE 39 Ca -0.48 0.01 0.44 0.00 2.80 0.00 0.00 57.97 60.75 3kln h PHE 39 Cb 1.24 0.48 -0.06 0.00 2.20 0.00 0.00 35.95 39.81 3kln h PHE 39 CO 0.56 -0.61 1.20 0.66 -0.60 0.00 0.00 178.31 179.52 3kln h SER 40 N -0.90 0.00 -0.51 2.17 4.64 -1.95 0.94 113.55 117.94 3kln h SER 40 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3kln h SER 40 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3kln h SER 40 CO -0.07 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.10 3kln n GLU 41 N -3.86 4.01 0.06 4.77 2.13 -0.99 -4.52 120.64 122.24 3kln n GLU 41 Ca 0.34 -2.96 -0.21 0.00 0.66 0.00 0.00 57.16 54.99 3kln n GLU 41 Cb 1.67 -2.01 -0.12 0.00 0.27 0.00 0.00 31.44 31.24 3kln n GLU 41 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3kln h LEU 42 N 3.39 0.84 -0.99 4.31 5.85 0.99 -3.25 115.31 126.44 3kln h LEU 42 Ca 0.00 -0.80 0.10 0.00 0.84 0.00 0.00 57.88 58.03 3kln h LEU 42 Cb 1.65 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 42.34 3kln h LEU 42 CO 0.33 1.54 0.62 4.11 -0.34 0.00 0.00 178.44 184.70 3kln h TRP 43 N 0.24 1.13 0.00 1.25 5.08 -1.79 0.19 115.95 122.05 3kln h TRP 43 Ca -0.16 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.85 3kln h TRP 43 Cb 1.77 -0.36 0.00 0.00 -3.00 0.00 0.00 29.16 27.57 3kln h TRP 43 CO 0.12 0.48 0.00 1.28 -1.28 0.00 0.00 178.44 179.04 3kln n LEU 44 N -4.60 0.00 0.00 0.11 4.77 -1.23 -2.27 117.00 113.79 3kln n LEU 44 Ca 0.17 0.48 0.05 0.00 -0.03 0.00 0.00 56.01 56.69 3kln n LEU 44 Cb 0.30 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 3kln n LEU 44 CO 0.28 -0.30 -0.60 -0.62 -1.33 0.00 0.00 177.39 174.83 3kln n GLU 45 N -1.48 0.65 -0.13 3.23 -0.58 0.65 -4.61 120.64 118.36 3kln n GLU 45 Ca 0.03 -0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.67 3kln n GLU 45 Cb 0.13 -1.63 -0.06 0.00 -0.57 0.00 0.00 31.44 29.30 3kln n GLU 45 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3kln h GLU 46 N 0.00 -0.17 -2.56 3.49 4.81 -1.16 -2.89 114.58 116.10 3kln h GLU 46 Ca -0.13 0.01 -0.80 0.00 -0.13 0.00 0.00 59.36 58.30 3kln h GLU 46 Cb 1.35 0.04 -0.26 0.00 0.63 0.00 0.00 28.75 30.51 3kln h GLU 46 CO 0.01 -0.11 1.07 0.09 -0.73 0.00 0.00 179.01 179.34 3kln n ASN 47 N -4.34 6.99 -4.42 1.04 3.02 -1.26 -4.51 115.26 111.77 3kln n ASN 47 Ca -0.01 -3.54 -0.25 0.00 -0.03 0.00 0.00 54.58 50.75 3kln n ASN 47 Cb 0.19 -1.23 -0.11 0.00 -0.61 0.00 0.00 39.78 38.02 3kln n ASN 47 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kln s LYS 48 N -3.42 1.53 0.01 3.52 1.02 -1.09 -5.06 119.74 116.25 3kln s LYS 48 Ca 0.37 -1.58 -0.23 0.00 0.02 0.00 0.00 55.97 54.55 3kln s LYS 48 Cb 0.14 -1.75 -0.17 0.00 -0.52 0.00 0.00 37.83 35.53 3kln s LYS 48 CO -0.04 0.36 1.33 -1.35 -0.92 0.00 0.00 175.35 174.73 3kln h PRO 49 N 2.93 0.18 -0.80 -1.68 0.11 -1.91 -3.31 132.00 127.52 3kln h PRO 49 Ca -0.44 -0.09 0.09 0.00 0.11 0.00 0.00 66.00 65.67 3kln h PRO 49 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 3kln h PRO 49 CO 0.52 0.59 0.52 1.05 -0.21 0.00 0.00 178.00 180.47 3kln h GLU 50 N -0.23 0.76 -0.02 1.05 9.09 -1.97 -1.20 114.58 122.07 3kln h GLU 50 Ca 0.01 -0.05 0.01 0.00 0.05 0.00 0.00 59.36 59.38 3kln h GLU 50 Cb 0.55 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3kln h GLU 50 CO 0.02 0.50 0.20 0.77 0.05 0.00 0.00 179.01 180.55 3kln h SER 51 N 0.78 0.00 1.51 3.06 0.02 -1.84 -0.48 113.55 116.61 3kln h SER 51 Ca 0.36 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 3kln h SER 51 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3kln h SER 51 CO -0.14 0.00 -0.16 0.03 -1.14 0.00 0.00 176.83 175.42 3kln h ARG 52 N 0.00 0.00 0.00 3.45 3.08 -1.29 -3.04 114.38 116.58 3kln h ARG 52 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kln h ARG 52 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3kln h ARG 52 CO -0.00 0.16 0.00 0.77 -1.07 0.00 0.00 179.97 179.83 3kln h SER 53 N 0.00 0.00 -2.12 7.04 0.02 -1.23 -3.45 113.55 113.82 3kln h SER 53 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 3kln h SER 53 Cb 0.96 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.51 3kln h SER 53 CO 0.02 0.00 1.25 -0.38 -1.14 0.00 0.00 176.83 176.59 3kln n ILE 54 N -2.56 0.61 -0.06 3.27 5.41 -1.15 -4.83 119.36 120.05 3kln n ILE 54 Ca 0.03 -0.20 -0.14 0.00 1.00 0.00 0.00 62.75 63.45 3kln n ILE 54 Cb 0.35 -2.20 -0.14 0.00 -0.71 0.00 0.00 39.64 36.94 3kln n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kln n GLN 55 N 7.54 0.68 -4.67 0.38 6.02 -0.56 -4.45 117.38 122.32 3kln n GLN 55 Ca 0.24 0.17 -0.25 0.00 -0.01 0.00 0.00 57.00 57.15 3kln n GLN 55 Cb 0.37 -1.64 -0.16 0.00 1.02 0.00 0.00 30.24 29.83 3kln n GLN 55 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3kln s MET 56 N -2.54 1.77 -0.15 -1.09 0.00 -0.69 -0.45 119.30 116.16 3kln s MET 56 Ca -0.17 -0.48 -0.05 0.00 0.00 0.00 0.00 55.69 54.99 3kln s MET 56 Cb 0.07 -1.47 -0.03 0.00 0.00 0.00 0.00 34.83 33.40 3kln s MET 56 CO 0.76 0.09 0.01 -0.51 0.00 0.00 0.00 175.02 175.37 3kln s LEU 57 N 0.48 3.57 -0.30 4.11 1.43 0.30 -0.54 118.68 127.72 3kln s LEU 57 Ca -0.12 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3kln s LEU 57 Cb -0.15 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.25 3kln s LEU 57 CO 0.04 0.23 0.02 -0.69 0.23 0.00 0.00 176.35 176.18 3kln s VAL 58 N 0.01 3.16 -0.45 -1.59 1.01 0.42 0.04 120.40 123.00 3kln s VAL 58 Ca 0.03 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.54 3kln s VAL 58 Cb -0.13 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.49 3kln s VAL 58 CO 0.02 -0.10 0.48 -0.63 0.00 0.00 0.00 175.10 174.87 3kln s ILE 59 N 1.29 5.05 -0.53 2.22 1.01 -0.32 -0.73 121.20 129.19 3kln s ILE 59 Ca -0.04 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 3kln s ILE 59 Cb -0.19 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.18 3kln s ILE 59 CO -0.00 -0.53 1.34 -0.62 0.00 0.00 0.00 174.94 175.12 3kln s ASP 60 N 2.11 6.29 0.05 3.58 -1.08 -1.15 -1.40 116.67 125.07 3kln s ASP 60 Ca 0.12 0.36 0.20 0.00 -0.52 0.00 0.00 52.55 52.72 3kln s ASP 60 Cb -0.18 -2.55 0.84 0.00 -1.46 0.00 0.00 42.92 39.57 3kln s ASP 60 CO 0.13 -1.56 1.64 0.00 0.52 0.00 0.00 175.17 175.89 3kln n TYR 61 N 9.00 0.16 0.07 -5.34 9.36 0.05 -2.25 117.16 128.21 3kln n TYR 61 Ca 0.12 0.06 -0.10 0.00 3.32 0.00 0.00 57.90 61.30 3kln n TYR 61 Cb 0.49 -0.59 -0.00 0.00 -0.63 0.00 0.00 39.34 38.61 3kln n TYR 61 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3kln h SER 62 N 0.00 0.38 -0.96 2.98 4.64 -1.75 -3.24 113.55 115.60 3kln h SER 62 Ca 0.00 -0.29 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 3kln h SER 62 Cb 0.36 -0.12 -0.30 0.00 -0.31 0.00 0.00 62.40 62.04 3kln h SER 62 CO 0.00 1.07 0.65 0.54 -0.87 0.00 0.00 176.83 178.22 3kln n ARG 63 N -3.74 2.34 -4.31 4.77 5.12 -0.96 -4.95 116.66 114.94 3kln n ARG 63 Ca -0.05 -3.09 -0.34 0.00 -1.93 0.00 0.00 57.85 52.44 3kln n ARG 63 Cb 0.78 -2.18 -0.09 0.00 -1.16 0.00 0.00 32.46 29.81 3kln n ARG 63 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3kln s ILE 64 N -3.64 4.28 0.04 0.55 2.07 -1.22 -4.88 121.20 118.40 3kln s ILE 64 Ca 0.58 -0.42 -0.00 0.00 -1.41 0.00 0.00 60.65 59.39 3kln s ILE 64 Cb 0.48 -2.86 -0.03 0.00 0.13 0.00 0.00 42.46 40.17 3kln s ILE 64 CO 0.08 0.48 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.61 3kln s SER 65 N -1.27 0.47 0.30 4.50 1.04 -1.26 -5.05 113.70 112.43 3kln s SER 65 Ca 0.17 -0.86 0.26 0.00 0.48 0.00 0.00 55.95 56.00 3kln s SER 65 Cb -0.11 0.16 0.98 0.00 0.10 0.00 0.00 66.02 67.15 3kln s SER 65 CO 0.07 -0.50 1.76 0.44 0.98 0.00 0.00 173.24 175.99 3kln h ASP 66 N 3.57 0.00 -0.49 7.02 5.19 -2.01 -2.99 116.42 126.70 3kln h ASP 66 Ca -0.34 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.97 3kln h ASP 66 Cb 1.16 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 3kln h ASP 66 CO 0.59 0.00 -0.10 0.44 -3.12 0.00 0.00 179.24 177.05 3kln h ASP 67 N 0.00 0.94 -0.51 6.45 3.32 -1.96 -3.22 116.42 121.44 3kln h ASP 67 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3kln h ASP 67 Cb 0.49 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kln h ASP 67 CO 0.00 1.07 0.00 1.33 -1.72 0.00 0.00 179.24 179.92 3kln n VAL 68 N -4.22 1.94 -0.03 -1.35 0.24 -1.13 -4.32 118.33 109.46 3kln n VAL 68 Ca 0.01 -1.08 -0.20 0.00 -2.04 0.00 0.00 64.34 61.03 3kln n VAL 68 Cb 0.38 -0.14 -0.13 0.00 -1.47 0.00 0.00 33.84 32.48 3kln n VAL 68 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kln h LEU 69 N 3.39 0.23 -1.04 1.34 3.38 -1.61 -3.16 115.31 117.85 3kln h LEU 69 Ca 0.00 -0.81 -0.07 0.00 0.09 0.00 0.00 57.88 57.09 3kln h LEU 69 Cb 1.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 3kln h LEU 69 CO 0.31 1.47 -0.09 0.00 0.09 0.00 0.00 178.44 180.22 3kln h THR 70 N -0.58 1.23 -0.02 0.22 1.03 -1.77 -0.48 112.91 112.54 3kln h THR 70 Ca -0.25 -1.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.13 3kln h THR 70 Cb 1.52 1.07 -0.00 0.00 -1.07 0.00 0.00 68.15 69.67 3kln h THR 70 CO -0.01 0.34 0.01 0.44 -0.01 0.00 0.00 175.52 176.30 3kln h ASP 71 N 0.54 0.00 0.00 0.00 5.19 -1.78 -3.19 116.42 117.18 3kln h ASP 71 Ca 0.10 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3kln h ASP 71 Cb 0.49 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 3kln h ASP 71 CO 0.03 0.00 -0.05 0.22 -3.12 0.00 0.00 179.24 176.31 3kln h TYR 72 N 0.00 0.00 -0.99 4.55 3.20 -1.06 -2.44 116.97 120.23 3kln h TYR 72 Ca 0.01 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.10 3kln h TYR 72 Cb 0.03 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.22 3kln h TYR 72 CO 0.00 0.23 0.63 0.66 -1.64 0.00 0.00 178.16 178.04 3kln h SER 73 N -1.00 0.52 -0.19 -2.11 4.64 -1.47 0.12 113.55 114.06 3kln h SER 73 Ca -0.01 0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 3kln h SER 73 Cb 0.25 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3kln h SER 73 CO -0.00 0.16 -0.25 0.77 -0.87 0.00 0.00 176.83 176.64 3kln h SER 74 N 0.49 0.55 -0.78 4.97 4.64 -1.67 -2.54 113.55 119.21 3kln h SER 74 Ca 0.55 -0.50 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 3kln h SER 74 Cb 1.24 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 3kln h SER 74 CO -0.28 0.94 0.47 0.15 -0.87 0.00 0.00 176.83 177.24 3kln h PHE 75 N 0.16 0.87 0.02 4.77 3.57 -0.32 -2.33 116.94 123.67 3kln h PHE 75 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3kln h PHE 75 Cb 0.81 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3kln h PHE 75 CO 0.09 0.44 -0.01 -0.22 -2.23 0.00 0.00 178.31 176.37 3kln h LYS 76 N 0.86 -0.02 -0.69 1.11 3.64 -1.11 -2.12 116.57 118.25 3kln h LYS 76 Ca 0.34 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.85 3kln h LYS 76 Cb 0.17 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.90 3kln h LYS 76 CO -0.17 0.75 0.22 1.25 -2.27 0.00 0.00 179.45 179.23 3kln h HIS 77 N -0.86 0.38 0.00 1.91 2.76 -1.53 -1.10 115.15 116.71 3kln h HIS 77 Ca -0.00 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3kln h HIS 77 Cb 0.78 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.68 3kln h HIS 77 CO 0.20 0.02 -0.00 0.82 -1.30 0.00 0.00 177.93 177.67 3kln h ILE 78 N 0.36 1.19 0.00 6.26 1.08 -1.48 -3.39 117.51 121.54 3kln h ILE 78 Ca 0.37 -0.57 -0.30 0.00 -0.39 0.00 0.00 64.86 63.97 3kln h ILE 78 Cb 0.56 1.57 -0.06 0.00 -3.07 0.00 0.00 36.82 35.82 3kln h ILE 78 CO -0.40 0.15 -2.14 -1.54 -0.69 0.00 0.00 178.15 173.52 3kln n SER 79 N -4.98 1.83 -3.03 1.72 3.41 -0.80 -4.85 113.62 106.93 3kln n SER 79 Ca -0.08 -0.06 -0.17 0.00 -0.26 0.00 0.00 58.87 58.30 3kln n SER 79 Cb 0.14 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 3kln n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kln h PRO 81 N 3.50 0.74 -0.01 0.00 0.13 -1.50 -2.80 132.00 132.05 3kln h PRO 81 Ca 0.01 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3kln h PRO 81 Cb 0.97 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3kln h PRO 81 CO 0.39 0.73 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.60 3kln n ASP 82 N -4.24 1.27 -4.78 1.44 10.43 -1.26 -4.90 116.55 114.51 3kln n ASP 82 Ca 0.03 -1.33 -0.35 0.00 2.57 0.00 0.00 54.79 55.70 3kln n ASP 82 Cb 0.27 0.02 -0.00 0.00 1.84 0.00 0.00 41.12 43.25 3kln n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kln s ALA 83 N -2.09 2.71 0.73 2.24 0.00 -1.06 -5.03 121.76 119.26 3kln s ALA 83 Ca 0.36 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3kln s ALA 83 Cb 0.21 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 20.00 3kln s ALA 83 CO 0.37 -0.73 1.07 0.15 0.00 0.00 0.00 175.76 176.62 3kln s LYS 84 N -3.28 2.65 -0.04 0.00 1.02 0.40 -4.75 119.74 115.74 3kln s LYS 84 Ca 0.72 0.98 0.05 0.00 0.02 0.00 0.00 55.97 57.74 3kln s LYS 84 Cb -0.23 -1.96 -0.00 0.00 -0.52 0.00 0.00 37.83 35.12 3kln s LYS 84 CO 0.26 -1.31 -0.18 -1.21 -0.92 0.00 0.00 175.35 171.99 3kln s GLU 85 N -5.02 1.83 -0.16 1.68 2.02 -0.25 -0.54 118.70 118.26 3kln s GLU 85 Ca 0.59 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.92 3kln s GLU 85 Cb -0.15 -1.60 0.05 0.00 0.10 0.00 0.00 34.13 32.53 3kln s GLU 85 CO 0.55 0.27 -0.00 0.08 0.02 0.00 0.00 175.26 176.18 3kln s VAL 86 N -0.03 0.72 0.22 2.63 1.01 0.11 0.80 120.40 125.86 3kln s VAL 86 Ca -0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3kln s VAL 86 Cb -0.11 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.14 3kln s VAL 86 CO 0.02 -0.00 1.04 -0.63 0.00 0.00 0.00 175.10 175.53 3kln s ILE 87 N 1.79 3.86 0.21 2.22 -1.09 -0.89 -1.18 121.20 126.12 3kln s ILE 87 Ca 0.01 1.76 0.03 0.00 -2.23 0.00 0.00 60.65 60.22 3kln s ILE 87 Cb -0.16 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.55 3kln s ILE 87 CO -0.07 0.37 -0.02 0.27 -1.23 0.00 0.00 174.94 174.27 3kln s ILE 88 N -0.81 1.00 -1.50 2.92 -4.36 -0.49 -0.79 121.20 117.18 3kln s ILE 88 Ca 0.45 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 3kln s ILE 88 Cb -0.29 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.19 3kln s ILE 88 CO 0.36 -0.41 0.00 0.59 0.24 0.00 0.00 174.94 175.72 3kln n ASN 89 N -0.36 -5.03 -4.72 4.36 5.03 -1.05 -0.77 115.26 112.72 3kln n ASN 89 Ca -0.06 0.10 -0.42 0.00 0.87 0.00 0.00 54.58 55.07 3kln n ASN 89 Cb 0.63 -4.23 -0.03 0.00 -1.02 0.00 0.00 39.78 35.13 3kln n ASN 89 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kln n PRO 91 N 3.38 1.54 0.20 0.00 -0.02 -1.26 -0.81 135.00 138.03 3kln n PRO 91 Ca 0.06 0.57 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 3kln n PRO 91 Cb 0.48 -2.46 0.39 0.00 -0.02 0.00 0.00 33.50 31.88 3kln n PRO 91 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3kln h GLN 92 N 1.31 0.00 -0.44 -0.52 5.75 -1.98 -3.02 115.11 116.21 3kln h GLN 92 Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3kln h GLN 92 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 3kln h GLN 92 CO 0.56 0.35 0.00 -0.40 -2.65 0.00 0.00 178.83 176.69 3kln n ASP 93 N -3.64 3.32 -4.41 -0.69 5.68 -1.26 -5.00 116.55 110.54 3kln n ASP 93 Ca -0.01 -1.94 -0.39 0.00 -0.50 0.00 0.00 54.79 51.95 3kln n ASP 93 Cb 0.46 -0.29 0.03 0.00 -1.14 0.00 0.00 41.12 40.18 3kln n ASP 93 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kln n ILE 94 N 1.20 1.61 -2.73 2.12 3.06 -1.14 -4.88 119.36 118.59 3kln n ILE 94 Ca 0.17 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.50 3kln n ILE 94 Cb 0.53 -0.49 -0.03 0.00 0.54 0.00 0.00 39.64 40.19 3kln n ILE 94 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 3kln s GLU 95 N -1.73 3.59 0.36 9.51 2.12 -1.26 -4.93 118.70 126.37 3kln s GLU 95 Ca 0.65 0.30 0.08 0.00 0.36 0.00 0.00 54.97 56.36 3kln s GLU 95 Cb -0.48 -3.93 0.80 0.00 0.26 0.00 0.00 34.13 30.78 3kln s GLU 95 CO 0.58 -1.31 1.89 0.45 -0.54 0.00 0.00 175.26 176.33 3kln h HIS 96 N 9.16 0.80 -0.91 5.30 3.86 -1.99 0.13 115.15 131.51 3kln h HIS 96 Ca -0.24 0.02 0.22 0.00 -1.16 0.00 0.00 60.37 59.22 3kln h HIS 96 Cb 1.07 -0.25 -0.12 0.00 1.06 0.00 0.00 27.41 29.16 3kln h HIS 96 CO 0.92 0.33 0.41 0.87 0.86 0.00 0.00 177.93 181.31 3kln h LYS 97 N 0.70 0.40 0.00 2.45 1.57 -1.95 0.17 116.57 119.92 3kln h LYS 97 Ca 0.42 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3kln h LYS 97 Cb 0.62 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3kln h LYS 97 CO -0.18 0.26 0.12 1.28 -0.57 0.00 0.00 179.45 180.37 3kln n LEU 98 N -5.03 0.19 0.09 2.94 4.77 0.46 -1.37 117.00 119.04 3kln n LEU 98 Ca 0.23 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.83 3kln n LEU 98 Cb 0.66 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3kln n LEU 98 CO 0.13 -0.57 -0.10 0.18 -1.33 0.00 0.00 177.39 175.70 3kln n LEU 99 N -1.72 0.73 0.26 2.23 4.77 0.61 -4.01 117.00 119.88 3kln n LEU 99 Ca -0.00 0.28 0.10 0.00 -0.03 0.00 0.00 56.01 56.35 3kln n LEU 99 Cb 0.13 -0.05 0.69 0.00 -2.33 0.00 0.00 43.42 41.87 3kln n LEU 99 CO 0.03 -0.15 1.08 -0.26 -1.33 0.00 0.00 177.39 176.76 3kln h PHE 100 N 0.00 0.00 0.00 -1.77 0.04 -1.33 -2.40 116.94 111.48 3kln h PHE 100 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kln h PHE 100 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 3kln h PHE 100 CO 0.00 0.00 0.15 0.36 -0.60 0.00 0.00 178.31 178.22 3kln n LYS 101 N -4.41 0.01 -3.34 1.51 2.85 -1.26 -3.79 118.16 109.74 3kln n LYS 101 Ca -0.03 0.38 -0.45 0.00 -1.05 0.00 0.00 58.31 57.16 3kln n LYS 101 Cb 0.10 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.73 3kln n LYS 101 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3kln s TRP 102 N -2.77 3.24 -0.88 5.58 0.52 -0.91 -4.95 118.94 118.78 3kln s TRP 102 Ca -0.00 -1.11 0.26 0.00 0.02 0.00 0.00 56.10 55.27 3kln s TRP 102 Cb 0.00 -3.52 1.02 0.00 -1.15 0.00 0.00 33.47 29.82 3kln s TRP 102 CO 0.01 -0.93 1.82 0.09 0.02 0.00 0.00 176.95 177.97 3kln n ASN 103 N 5.26 0.31 -0.61 2.95 5.03 -1.25 -2.79 115.26 124.17 3kln n ASN 103 Ca -0.13 0.54 0.06 0.00 0.87 0.00 0.00 54.58 55.92 3kln n ASN 103 Cb 0.42 -0.62 0.18 0.00 -1.02 0.00 0.00 39.78 38.74 3kln n ASN 103 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3kln n ASN 104 N -1.80 1.70 -4.68 6.41 3.02 -1.26 -5.07 115.26 113.58 3kln n ASN 104 Ca 0.06 -3.56 -0.45 0.00 -0.03 0.00 0.00 54.58 50.59 3kln n ASN 104 Cb 0.34 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 3kln n ASN 104 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kln n LEU 105 N -0.98 3.34 -0.07 3.41 7.94 -1.12 -1.09 117.00 128.43 3kln n LEU 105 Ca 0.17 1.06 -0.07 0.00 -1.11 0.00 0.00 56.01 56.06 3kln n LEU 105 Cb 0.73 -1.45 -0.11 0.00 0.53 0.00 0.00 43.42 43.13 3kln n LEU 105 CO -0.03 -0.16 -0.94 0.00 -1.11 0.00 0.00 177.39 175.15 3kln n ALA 106 N 4.15 1.67 -3.77 1.96 0.00 0.24 -4.81 120.51 119.95 3kln n ALA 106 Ca 0.18 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 3kln n ALA 106 Cb 0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.72 3kln n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kln s GLY 107 N -4.69 -0.19 -0.12 0.00 0.00 -1.25 -1.93 107.32 99.16 3kln s GLY 107 Ca -0.07 0.15 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 3kln s GLY 107 CO 0.55 1.07 0.26 0.14 0.00 0.00 0.00 173.10 175.12 3kln s VAL 108 N -2.67 -0.13 0.05 1.40 1.01 -1.22 -2.10 120.40 116.74 3kln s VAL 108 Ca 0.16 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.40 3kln s VAL 108 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 3kln s VAL 108 CO 0.01 0.07 -0.23 -0.36 0.00 0.00 0.00 175.10 174.59 3kln s PHE 109 N 1.54 2.41 0.26 5.22 0.08 0.03 -4.89 117.98 122.63 3kln s PHE 109 Ca -0.07 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.69 3kln s PHE 109 Cb -0.11 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 3kln s PHE 109 CO -0.09 0.19 0.24 0.71 -0.10 0.00 0.00 175.22 176.17 3kln s TYR 110 N -0.87 3.14 0.55 0.36 2.02 -1.26 -1.79 117.35 119.50 3kln s TYR 110 Ca 0.13 -0.12 0.30 0.00 -0.37 0.00 0.00 57.07 57.01 3kln s TYR 110 Cb -0.10 -1.48 1.47 0.00 -0.40 0.00 0.00 41.96 41.44 3kln s TYR 110 CO 0.03 0.46 1.89 0.97 -1.57 0.00 0.00 175.55 177.34 3kln h ILE 111 N 1.40 0.51 -1.30 2.71 2.10 -1.17 0.10 117.51 121.88 3kln h ILE 111 Ca -0.49 0.00 -0.53 0.00 1.08 0.00 0.00 64.86 64.92 3kln h ILE 111 Cb 1.24 0.58 -0.42 0.00 -1.09 0.00 0.00 36.82 37.13 3kln h ILE 111 CO 0.60 0.00 -0.84 -0.90 -1.08 0.00 0.00 178.15 175.93 3kln n ASP 112 N -4.12 4.01 -4.84 2.19 5.68 -1.26 -4.88 116.55 113.33 3kln n ASP 112 Ca 0.15 -3.48 -0.36 0.00 -0.50 0.00 0.00 54.79 50.60 3kln n ASP 112 Cb 0.86 -0.46 -0.06 0.00 -1.14 0.00 0.00 41.12 40.32 3kln n ASP 112 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3kln s ASP 113 N -3.48 6.80 0.64 -1.12 -0.00 0.36 -5.11 116.67 114.76 3kln s ASP 113 Ca 0.44 0.99 -0.04 0.00 -0.00 0.00 0.00 52.55 53.93 3kln s ASP 113 Cb 0.41 -2.25 0.04 0.00 -0.00 0.00 0.00 42.92 41.12 3kln s ASP 113 CO -0.11 0.20 0.92 1.51 -0.00 0.00 0.00 175.17 177.69 3kln s ASP 114 N -1.49 5.08 0.53 0.27 1.47 -1.26 -4.92 116.67 116.34 3kln s ASP 114 Ca 0.32 0.37 0.35 0.00 1.18 0.00 0.00 52.55 54.76 3kln s ASP 114 Cb -0.16 -1.15 1.71 0.00 -0.34 0.00 0.00 42.92 42.98 3kln s ASP 114 CO 0.17 -1.37 2.05 0.24 0.68 0.00 0.00 175.17 176.95 3kln h MET 115 N -0.33 0.00 -0.45 2.11 2.86 -1.99 -2.00 114.93 115.14 3kln h MET 115 Ca -0.44 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.09 3kln h MET 115 Cb 1.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 3kln h MET 115 CO 0.58 0.00 -0.14 -0.44 1.06 0.00 0.00 176.91 177.97 3kln h ASP 116 N 0.00 0.90 -0.20 1.22 3.32 -1.99 -0.90 116.42 118.76 3kln h ASP 116 Ca 0.00 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 3kln h ASP 116 Cb 0.22 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3kln h ASP 116 CO 0.00 1.07 -0.01 0.74 -1.72 0.00 0.00 179.24 179.32 3kln h THR 117 N 0.72 1.26 -0.83 0.35 2.02 -1.76 -2.32 112.91 112.35 3kln h THR 117 Ca 0.11 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.42 3kln h THR 117 Cb 0.69 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3kln h THR 117 CO 0.05 0.27 0.55 0.25 0.37 0.00 0.00 175.52 177.01 3kln h LEU 118 N 0.12 0.92 -0.24 2.58 5.85 -1.44 -0.45 115.31 122.65 3kln h LEU 118 Ca 0.06 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 3kln h LEU 118 Cb 0.41 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3kln h LEU 118 CO 0.01 0.64 -0.34 0.40 -0.34 0.00 0.00 178.44 178.81 3kln h ILE 119 N 1.07 1.31 0.64 4.05 1.08 -1.10 -1.28 117.51 123.29 3kln h ILE 119 Ca 0.32 -1.54 -0.03 0.00 -0.39 0.00 0.00 64.86 63.22 3kln h ILE 119 Cb -0.04 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 3kln h ILE 119 CO -0.08 0.48 -0.47 0.50 -0.69 0.00 0.00 178.15 177.89 3kln h LYS 120 N 0.36 -1.03 -1.00 2.37 3.64 -1.14 -2.21 116.57 117.57 3kln h LYS 120 Ca 0.03 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3kln h LYS 120 Cb 0.93 0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 32.86 3kln h LYS 120 CO 0.08 -0.69 -0.57 0.41 -2.27 0.00 0.00 179.45 176.41 3kln n GLY 121 N -1.57 -2.55 0.33 5.01 0.00 -0.20 -1.96 105.19 104.25 3kln n GLY 121 Ca -0.13 1.18 0.05 0.00 0.00 0.00 0.00 46.02 47.12 3kln n GLY 121 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kln h MET 122 N 0.00 0.65 -0.50 1.61 2.86 -1.12 -1.48 114.93 116.94 3kln h MET 122 Ca 0.17 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3kln h MET 122 Cb 0.42 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3kln h MET 122 CO -0.94 0.43 -0.07 0.77 1.06 0.00 0.00 176.91 178.16 3kln h SER 123 N 0.67 0.88 -0.45 1.22 0.02 -0.74 0.11 113.55 115.26 3kln h SER 123 Ca 0.23 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 3kln h SER 123 Cb 0.07 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3kln h SER 123 CO -0.06 0.98 -0.10 0.11 -1.14 0.00 0.00 176.83 176.63 3kln h LYS 124 N 0.81 0.91 -0.04 3.45 1.57 -0.77 -2.97 116.57 119.52 3kln h LYS 124 Ca 0.14 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 58.46 3kln h LYS 124 Cb 0.58 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kln h LYS 124 CO 0.04 0.96 -0.62 0.82 -0.57 0.00 0.00 179.45 180.07 3kln h ILE 125 N 0.82 1.41 0.00 1.86 2.04 -0.88 -1.77 117.51 120.99 3kln h ILE 125 Ca 0.13 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.93 3kln h ILE 125 Cb 0.62 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3kln h ILE 125 CO 0.04 0.60 0.00 -0.07 0.00 0.00 0.00 178.15 178.72 3kln h LEU 126 N 0.12 0.00 -0.41 1.44 4.07 -0.74 -1.32 115.31 118.47 3kln h LEU 126 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3kln h LEU 126 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3kln h LEU 126 CO 0.09 0.00 -0.18 0.00 -1.08 0.00 0.00 178.44 177.27 3kln n GLN 127 N -2.70 0.82 -0.50 1.13 1.13 -0.78 -4.94 117.38 111.55 3kln n GLN 127 Ca 0.02 -0.41 0.00 0.00 -1.94 0.00 0.00 57.00 54.67 3kln n GLN 127 Cb 0.29 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.15 3kln n GLN 127 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3kln n ASP 128 N -0.74 -1.50 -2.94 1.08 10.43 -0.50 -5.09 116.55 117.29 3kln n ASP 128 Ca 0.13 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.40 3kln n ASP 128 Cb 0.32 -0.25 0.05 0.00 1.84 0.00 0.00 41.12 43.08 3kln n ASP 128 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3kln n GLU 129 N -2.50 0.14 -4.24 -1.24 1.02 -0.74 -4.99 120.64 108.09 3kln n GLU 129 Ca 0.00 -1.01 -0.20 0.00 -0.02 0.00 0.00 57.16 55.93 3kln n GLU 129 Cb 0.00 -0.33 -0.12 0.00 -0.02 0.00 0.00 31.44 30.98 3kln n GLU 129 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3kln s MET 130 N -3.61 1.01 -0.81 3.49 -1.94 -1.26 -4.34 119.30 111.83 3kln s MET 130 Ca 0.27 -1.16 0.02 0.00 -1.71 0.00 0.00 55.69 53.11 3kln s MET 130 Cb -0.01 -1.01 0.33 0.00 2.01 0.00 0.00 34.83 36.15 3kln s MET 130 CO 0.18 0.21 1.39 1.87 -0.01 0.00 0.00 175.02 178.66 3kln n TRP 131 N 0.83 3.41 -3.83 -0.03 -0.00 -0.81 -4.96 117.44 112.05 3kln n TRP 131 Ca -0.18 -3.28 -0.37 0.00 -0.00 0.00 0.00 57.50 53.67 3kln n TRP 131 Cb 0.55 -0.85 -0.06 0.00 -0.00 0.00 0.00 31.31 30.96 3kln n TRP 131 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3kln s LEU 132 N -3.89 4.40 0.97 5.87 1.43 -1.26 -3.43 118.68 122.76 3kln s LEU 132 Ca 0.44 0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 3kln s LEU 132 Cb 0.23 -2.16 0.14 0.00 0.03 0.00 0.00 46.19 44.43 3kln s LEU 132 CO -0.13 0.39 0.91 0.41 0.23 0.00 0.00 176.35 178.16 3kln n THR 133 N 1.92 0.00 -0.10 5.49 -1.04 -1.26 -4.82 114.28 114.47 3kln n THR 133 Ca -0.19 -0.12 -0.04 0.00 -2.04 0.00 0.00 64.05 61.67 3kln n THR 133 Cb 0.55 -0.89 0.17 0.00 -1.82 0.00 0.00 70.33 68.33 3kln n THR 133 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3kln h ARG 134 N -1.93 0.77 -0.56 -2.82 3.08 -1.99 -2.54 114.38 108.39 3kln h ARG 134 Ca -0.46 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.32 3kln h ARG 134 Cb 1.28 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 3kln h ARG 134 CO 0.40 0.79 0.12 0.87 -1.07 0.00 0.00 179.97 181.08 3kln h LYS 135 N 0.72 0.91 0.09 0.04 1.79 -1.99 -2.26 116.57 115.88 3kln h LYS 135 Ca 0.14 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3kln h LYS 135 Cb 0.45 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3kln h LYS 135 CO 0.02 0.86 -0.04 1.25 -1.08 0.00 0.00 179.45 180.46 3kln h LEU 136 N 0.81 -0.10 -1.79 2.94 5.85 -1.90 -1.58 115.31 119.54 3kln h LEU 136 Ca 0.17 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.72 3kln h LEU 136 Cb 0.37 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3kln h LEU 136 CO 0.01 0.26 0.40 0.00 -0.34 0.00 0.00 178.44 178.77 3kln h ALA 137 N 0.38 2.24 -0.03 1.25 0.00 -1.53 0.41 119.26 121.98 3kln h ALA 137 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3kln h ALA 137 Cb 0.40 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3kln h ALA 137 CO 0.02 -0.39 -0.58 0.37 0.00 0.00 0.00 179.25 178.67 3kln h GLN 138 N 0.23 0.09 0.00 0.00 4.15 -1.13 -1.54 115.11 116.90 3kln h GLN 138 Ca 0.28 -0.06 -0.23 0.00 0.77 0.00 0.00 58.65 59.41 3kln h GLN 138 Cb 0.79 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.49 3kln h GLN 138 CO -0.05 0.64 -0.95 0.93 -1.93 0.00 0.00 178.83 177.47 3kln h GLU 139 N 0.07 0.44 0.49 1.69 4.39 -0.09 -0.76 114.58 120.81 3kln h GLU 139 Ca -0.00 -0.47 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 3kln h GLU 139 Cb 1.04 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3kln h GLU 139 CO 0.08 1.13 -0.30 1.88 -1.16 0.00 0.00 179.01 180.64 3kln h TYR 140 N 0.25 -0.80 -0.50 4.33 0.05 -0.97 -0.85 116.97 118.48 3kln h TYR 140 Ca -0.08 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.77 3kln h TYR 140 Cb 1.59 0.28 -0.06 0.00 1.01 0.00 0.00 36.73 39.55 3kln h TYR 140 CO 0.06 -0.45 0.13 0.82 -1.05 0.00 0.00 178.16 177.67 3kln h ILE 141 N -0.74 0.76 -0.47 -2.88 2.04 -1.34 0.76 117.51 115.64 3kln h ILE 141 Ca -0.07 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3kln h ILE 141 Cb 0.59 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3kln h ILE 141 CO 0.07 0.05 0.24 -0.07 0.00 0.00 0.00 178.15 178.44 3kln h LEU 142 N 0.27 0.60 -0.10 1.44 4.07 -1.16 0.16 115.31 120.60 3kln h LEU 142 Ca 0.25 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 3kln h LEU 142 Cb 0.31 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 3kln h LEU 142 CO -0.30 0.54 -0.00 -0.74 -1.08 0.00 0.00 178.44 176.86 3kln h HIS 143 N 0.62 0.20 -0.47 1.13 -0.00 -0.33 -3.16 115.15 113.14 3kln h HIS 143 Ca 0.16 -0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 60.40 3kln h HIS 143 Cb 0.09 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 3kln h HIS 143 CO -0.01 0.44 -0.11 1.88 -0.00 0.00 0.00 177.93 180.13 3kln h TYR 144 N -0.11 1.00 0.00 5.26 0.05 -0.80 -2.98 116.97 119.40 3kln h TYR 144 Ca 0.03 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.59 3kln h TYR 144 Cb 0.37 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.86 3kln h TYR 144 CO 0.04 0.98 0.00 0.07 -1.05 0.00 0.00 178.16 178.20 3kln h ARG 145 N 0.74 0.00 -0.27 4.88 0.11 -0.73 0.27 114.38 119.37 3kln h ARG 145 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3kln h ARG 145 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 3kln h ARG 145 CO 0.05 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.12 3kln n ALA 146 N -2.01 2.47 -0.31 0.08 0.00 -1.13 -4.93 120.51 114.68 3kln n ALA 146 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3kln n ALA 146 Cb 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3kln n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kln n GLY 147 N 1.32 0.69 3.80 0.00 0.00 0.08 -5.06 105.19 106.03 3kln n GLY 147 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3kln n GLY 147 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kln s ASN 148 N -2.82 5.51 0.00 1.61 0.02 -1.21 -5.05 114.94 113.01 3kln s ASN 148 Ca 0.00 1.77 0.00 0.00 -1.02 0.00 0.00 52.86 53.61 3kln s ASN 148 Cb 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.75 3kln s ASN 148 CO 0.00 -1.35 0.00 -1.54 0.02 0.00 0.00 177.10 174.23 3kln n SER 149 N -2.50 0.00 -4.86 -1.22 3.41 -1.26 -4.63 113.62 102.57 3kln n SER 149 Ca 0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.39 3kln n SER 149 Cb 0.53 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3kln n SER 149 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kln s VAL 150 N 0.77 4.18 -0.13 -3.33 1.01 -1.26 -5.03 120.40 116.60 3kln s VAL 150 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.69 3kln s VAL 150 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3kln s VAL 150 CO 0.00 -0.92 -0.15 -0.69 0.00 0.00 0.00 175.10 173.34 3kln s VAL 151 N -3.18 2.86 0.75 2.92 1.01 -1.26 -5.06 120.40 118.43 3kln s VAL 151 Ca 0.57 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 3kln s VAL 151 Cb -0.12 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.11 3kln s VAL 151 CO 0.54 0.52 1.12 0.28 0.00 0.00 0.00 175.10 177.56 3kln s THR 152 N 0.48 2.74 0.00 3.92 -1.32 -1.26 -4.54 115.64 115.65 3kln s THR 152 Ca -0.10 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 3kln s THR 152 Cb -0.16 -3.23 0.00 0.00 -1.51 0.00 0.00 72.50 67.60 3kln s THR 152 CO 0.05 -0.29 0.00 1.57 -2.21 0.00 0.00 174.62 173.73 3kln n HIS 193 N -3.13 0.00 0.26 9.09 -0.00 -1.26 -5.12 115.22 115.07 3kln n HIS 193 Ca 0.07 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.95 3kln n HIS 193 Cb 0.59 0.00 0.57 0.00 -0.00 0.00 0.00 29.99 31.15 3kln n HIS 193 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3kln h LEU 194 N 0.00 0.00 -0.52 0.27 3.38 -2.06 -3.01 115.31 113.37 3kln h LEU 194 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kln h LEU 194 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kln h LEU 194 CO 0.00 0.03 0.00 -0.74 0.09 0.00 0.00 178.44 177.82 3kln h HIS 195 N 0.00 0.00 0.00 1.13 2.76 -2.01 -3.00 115.15 114.03 3kln h HIS 195 Ca -0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 3kln h HIS 195 Cb 0.63 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 3kln h HIS 195 CO 0.00 0.00 -0.54 -0.91 -1.30 0.00 0.00 177.93 175.18 3kln h ASN 196 N 0.00 0.00 -0.06 3.26 4.21 -1.88 -3.22 115.58 117.89 3kln h ASN 196 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3kln h ASN 196 Cb 0.77 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 3kln h ASN 196 CO 0.00 0.54 0.00 1.33 -1.29 0.00 0.00 177.43 178.01 3kln n VAL 197 N -3.30 0.06 0.94 2.81 0.24 -1.14 -3.78 118.33 114.17 3kln n VAL 197 Ca 0.01 -0.26 0.03 0.00 -2.04 0.00 0.00 64.34 62.07 3kln n VAL 197 Cb 0.72 0.41 0.10 0.00 -1.47 0.00 0.00 33.84 33.59 3kln n VAL 197 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3kln n PHE 198 N 0.15 0.41 -3.64 6.34 3.01 -1.20 -3.52 117.46 119.02 3kln n PHE 198 Ca 0.18 -0.16 -0.08 0.00 1.01 0.00 0.00 57.45 58.40 3kln n PHE 198 Cb 0.33 -0.10 -0.07 0.00 -0.01 0.00 0.00 39.48 39.63 3kln n PHE 198 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 3kln s LYS 199 N -1.61 0.69 -0.73 -1.08 0.00 -1.25 -2.77 119.74 112.99 3kln s LYS 199 Ca 0.14 1.06 -0.03 0.00 0.00 0.00 0.00 55.97 57.15 3kln s LYS 199 Cb 0.09 0.21 0.26 0.00 0.00 0.00 0.00 37.83 38.39 3kln s LYS 199 CO 0.07 -0.12 2.25 1.63 0.00 0.00 0.00 175.35 179.18 3kln n LYS 200 N 3.71 2.64 0.07 1.78 5.02 -1.26 -4.88 118.16 125.23 3kln n LYS 200 Ca -0.18 -3.16 -0.06 0.00 -2.02 0.00 0.00 58.31 52.89 3kln n LYS 200 Cb 0.58 -2.23 -0.10 0.00 -0.02 0.00 0.00 35.03 33.26 3kln n LYS 200 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3kln h ILE 201 N 1.99 1.55 -2.79 -0.18 2.04 -1.76 -3.49 117.51 114.88 3kln h ILE 201 Ca 0.52 -3.21 -0.21 0.00 1.00 0.00 0.00 64.86 62.95 3kln h ILE 201 Cb 0.24 2.77 0.04 0.00 -0.74 0.00 0.00 36.82 39.13 3kln h ILE 201 CO 1.27 0.89 -0.33 0.59 0.00 0.00 0.00 178.15 180.57 3kln n ASN 202 N -3.32 -4.04 -4.67 1.72 4.13 -1.14 -4.66 115.26 103.28 3kln n ASN 202 Ca -0.00 -0.18 -0.43 0.00 1.68 0.00 0.00 54.58 55.65 3kln n ASN 202 Cb 0.91 -2.86 -0.02 0.00 -1.54 0.00 0.00 39.78 36.26 3kln n ASN 202 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kln s ALA 203 N -2.93 3.57 -0.46 5.41 0.00 -1.12 -4.79 121.76 121.44 3kln s ALA 203 Ca 0.19 0.23 0.26 0.00 0.00 0.00 0.00 51.96 52.64 3kln s ALA 203 Cb -0.08 -3.48 0.82 0.00 0.00 0.00 0.00 23.12 20.39 3kln s ALA 203 CO 0.24 -0.85 1.76 0.87 0.00 0.00 0.00 175.76 177.77 3kln h LYS 204 N 7.32 0.00 0.00 0.00 1.57 -1.91 -3.47 116.57 120.08 3kln h LYS 204 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3kln h LYS 204 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3kln h LYS 204 CO 0.92 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 180.07 3kln n ASN 205 N -2.60 0.00 -0.04 0.86 0.23 -1.26 -5.04 115.26 107.41 3kln n ASN 205 Ca 0.04 -0.54 -0.16 0.00 -0.53 0.00 0.00 54.58 53.39 3kln n ASN 205 Cb 0.39 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.01 3kln n ASN 205 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3kln h ARG 206 N 0.00 0.55 -0.63 -3.83 2.43 -2.01 -3.29 114.38 107.61 3kln h ARG 206 Ca 0.00 -0.41 0.15 0.00 -0.81 0.00 0.00 59.98 58.91 3kln h ARG 206 Cb 0.00 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3kln h ARG 206 CO 0.00 1.04 0.43 1.25 -1.51 0.00 0.00 179.97 181.18 3kln h LEU 207 N 0.17 0.17 -0.02 3.80 5.85 -2.00 0.19 115.31 123.48 3kln h LEU 207 Ca -0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kln h LEU 207 Cb 1.10 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3kln h LEU 207 CO 0.10 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.29 3kln n GLN 208 N -4.42 0.18 -0.01 1.25 6.02 -1.24 -3.08 117.38 116.08 3kln n GLN 208 Ca 0.12 0.16 -0.19 0.00 -0.01 0.00 0.00 57.00 57.07 3kln n GLN 208 Cb 0.57 -1.72 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 3kln n GLN 208 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kln h ALA 209 N 2.65 0.07 -0.17 -1.58 0.00 -0.69 -3.19 119.26 116.36 3kln h ALA 209 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 54.91 53.90 3kln h ALA 209 Cb 0.66 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kln h ALA 209 CO 0.00 0.50 -0.53 1.37 0.00 0.00 0.00 179.25 180.59 3kln h LEU 210 N -0.57 0.53 -1.28 0.00 -0.00 -1.57 0.13 115.31 112.56 3kln h LEU 210 Ca -0.20 -0.28 -0.05 0.00 -0.00 0.00 0.00 57.88 57.35 3kln h LEU 210 Cb 1.50 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 42.00 3kln h LEU 210 CO 0.04 0.96 -0.26 0.40 -0.00 0.00 0.00 178.44 179.58 3kln h ILE 211 N 0.37 0.72 0.00 0.15 2.04 -1.74 -0.97 117.51 118.09 3kln h ILE 211 Ca 0.01 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 3kln h ILE 211 Cb 1.05 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 3kln h ILE 211 CO 0.10 0.25 -0.51 -0.25 0.00 0.00 0.00 178.15 177.74 3kln h TRP 212 N 0.00 0.00 0.17 1.37 7.01 -1.40 -2.96 115.95 120.14 3kln h TRP 212 Ca -0.00 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 3kln h TRP 212 Cb 0.68 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 3kln h TRP 212 CO 0.00 0.51 -0.08 0.00 -2.79 0.00 0.00 178.44 176.08 3kln h ALA 213 N 1.49 -0.22 -0.21 2.65 0.00 0.61 -3.06 119.26 120.52 3kln h ALA 213 Ca -0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3kln h ALA 213 Cb 1.17 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3kln h ALA 213 CO 0.07 -0.55 -0.46 0.87 0.00 0.00 0.00 179.25 179.17 3kln h LYS 214 N -0.37 0.52 -1.22 0.00 1.57 -1.53 -2.54 116.57 113.00 3kln h LYS 214 Ca -0.02 -0.29 -0.19 0.00 -1.87 0.00 0.00 60.65 58.28 3kln h LYS 214 Cb 0.29 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 3kln h LYS 214 CO 0.04 0.88 0.24 -1.71 -0.57 0.00 0.00 179.45 178.33 3kln n ASN 215 N -4.00 4.18 0.00 0.86 5.15 -1.12 -4.92 115.26 115.42 3kln n ASN 215 Ca -0.02 -2.64 0.00 0.00 -0.60 0.00 0.00 54.58 51.32 3kln n ASN 215 Cb 0.55 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3kln n ASN 215 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25