#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n99 n MET 1 N 0.00 1.04 -2.75 1.57 2.00 -1.26 -4.95 117.12 112.77 3n99 n MET 1 Ca 0.00 0.37 -0.42 0.00 0.00 0.00 0.00 57.70 57.65 3n99 n MET 1 Cb 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 33.22 31.41 3n99 n MET 1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3n99 s ARG 2 N -1.72 4.42 0.28 0.03 0.52 -1.26 -5.00 118.95 116.22 3n99 s ARG 2 Ca 0.62 1.29 0.04 0.00 -0.52 0.00 0.00 55.73 57.17 3n99 s ARG 2 Cb -0.62 -3.53 -0.06 0.00 0.52 0.00 0.00 34.95 31.26 3n99 s ARG 2 CO 0.58 -0.25 0.00 0.95 0.02 0.00 0.00 175.30 176.61 3n99 s THR 3 N 1.78 1.26 -0.22 0.02 -4.23 -1.26 0.14 115.64 113.12 3n99 s THR 3 Ca 0.46 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3n99 s THR 3 Cb -0.18 -2.54 0.30 0.00 1.34 0.00 0.00 72.50 71.41 3n99 s THR 3 CO 0.19 -0.20 1.39 -0.46 -0.54 0.00 0.00 174.62 175.00 3n99 n ASN 4 N -0.56 3.32 0.09 3.99 6.94 -1.10 -4.68 115.26 123.26 3n99 n ASN 4 Ca -0.04 -2.70 0.16 0.00 -0.02 0.00 0.00 54.58 51.98 3n99 n ASN 4 Cb 0.65 -0.65 0.67 0.00 -2.36 0.00 0.00 39.78 38.09 3n99 n ASN 4 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 3n99 h LYS 5 N 0.51 0.01 0.00 -3.83 2.10 -1.96 -0.47 116.57 112.94 3n99 h LYS 5 Ca 0.27 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.90 3n99 h LYS 5 Cb 1.80 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.12 3n99 h LYS 5 CO 0.48 0.01 -0.11 -0.44 -2.00 0.00 0.00 179.45 177.39 3n99 h ASP 6 N 0.02 0.00 0.07 7.07 3.32 -2.02 -2.73 116.42 122.14 3n99 h ASP 6 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3n99 h ASP 6 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3n99 h ASP 6 CO -0.00 0.11 -0.08 0.54 -1.72 0.00 0.00 179.24 178.08 3n99 n ARG 7 N -3.33 1.39 -2.71 3.56 1.74 -0.19 -4.94 116.66 112.17 3n99 n ARG 7 Ca -0.00 -0.80 -0.33 0.00 -0.77 0.00 0.00 57.85 55.95 3n99 n ARG 7 Cb 0.31 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 3n99 n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3n99 s LEU 8 N -2.16 3.87 -0.14 0.55 1.43 -1.03 -5.03 118.68 116.17 3n99 s LEU 8 Ca 0.34 1.68 -0.14 0.00 -1.03 0.00 0.00 54.13 54.98 3n99 s LEU 8 Cb 0.20 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 3n99 s LEU 8 CO 0.39 -0.44 0.32 -0.69 0.23 0.00 0.00 176.35 176.16 3n99 s VAL 9 N -2.26 5.28 -0.24 -1.59 1.01 -1.26 -5.06 120.40 116.28 3n99 s VAL 9 Ca 0.62 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.11 3n99 s VAL 9 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3n99 s VAL 9 CO 0.17 0.41 0.11 -0.60 0.00 0.00 0.00 175.10 175.19 3n99 s ARG 10 N 0.27 3.87 -0.04 2.72 3.52 -1.26 -4.63 118.95 123.40 3n99 s ARG 10 Ca 0.18 -0.37 -0.07 0.00 -0.13 0.00 0.00 55.73 55.33 3n99 s ARG 10 Cb -0.13 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 3n99 s ARG 10 CO 0.05 -0.03 0.18 -1.50 -0.81 0.00 0.00 175.30 173.19 3n99 s ILE 11 N 1.25 0.03 -0.08 4.11 2.07 -0.65 -4.98 121.20 122.95 3n99 s ILE 11 Ca 0.06 -0.25 -0.30 0.00 -1.41 0.00 0.00 60.65 58.75 3n99 s ILE 11 Cb -0.14 -0.34 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 3n99 s ILE 11 CO 0.05 -0.14 1.62 -0.94 -1.91 0.00 0.00 174.94 173.62 3n99 s SER 12 N -0.46 6.66 -0.17 4.50 1.04 -1.26 -1.38 113.70 122.63 3n99 s SER 12 Ca -0.06 2.15 -0.01 0.00 0.48 0.00 0.00 55.95 58.51 3n99 s SER 12 Cb -0.04 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 3n99 s SER 12 CO 0.01 -0.94 -0.12 -0.69 0.98 0.00 0.00 173.24 172.48 3n99 s VAL 13 N 4.10 2.87 0.18 5.02 1.01 -0.17 -4.95 120.40 128.47 3n99 s VAL 13 Ca 0.72 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3n99 s VAL 13 Cb -0.32 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3n99 s VAL 13 CO 0.28 0.50 -0.02 0.68 0.00 0.00 0.00 175.10 176.54 3n99 s VAL 14 N 0.94 3.60 0.00 2.92 -7.23 -1.26 -0.05 120.40 119.32 3n99 s VAL 14 Ca -0.02 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3n99 s VAL 14 Cb -0.15 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.97 3n99 s VAL 14 CO -0.01 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3n99 n GLY 15 N -0.16 2.90 3.21 2.32 0.00 -0.44 -4.67 105.19 108.35 3n99 n GLY 15 Ca -0.10 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 3n99 n GLY 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3n99 s GLU 16 N 0.81 0.75 0.03 1.61 -1.05 0.00 -1.24 118.70 119.62 3n99 s GLU 16 Ca 0.00 -0.65 -0.30 0.00 -0.15 0.00 0.00 54.97 53.87 3n99 s GLU 16 Cb 0.00 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.94 3n99 s GLU 16 CO 0.00 -0.23 1.50 0.42 0.95 0.00 0.00 175.26 177.89 3n99 s ILE 17 N -2.77 3.44 0.35 1.83 1.01 -0.62 -1.17 121.20 123.26 3n99 s ILE 17 Ca -0.03 0.86 -0.23 0.00 0.00 0.00 0.00 60.65 61.25 3n99 s ILE 17 Cb -0.00 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 3n99 s ILE 17 CO -0.05 0.00 0.90 0.00 0.00 0.00 0.00 174.94 175.79 3n99 s ALA 18 N 2.43 3.18 0.87 9.38 0.00 -0.02 -0.70 121.76 136.90 3n99 s ALA 18 Ca 0.68 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 3n99 s ALA 18 Cb -0.35 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 19.79 3n99 s ALA 18 CO 0.29 0.19 1.10 -1.25 0.00 0.00 0.00 175.76 176.08 3n99 s PRO 19 N -2.53 1.50 0.27 0.00 0.04 -1.26 -1.27 135.00 131.74 3n99 s PRO 19 Ca 0.54 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 3n99 s PRO 19 Cb -0.14 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3n99 s PRO 19 CO 0.19 -2.04 1.50 0.00 0.04 0.00 0.00 177.00 176.68 3n99 s ALA 20 N -3.04 3.67 -0.00 8.56 0.00 -1.26 -2.22 121.76 127.46 3n99 s ALA 20 Ca 0.63 1.42 0.08 0.00 0.00 0.00 0.00 51.96 54.08 3n99 s ALA 20 Cb -0.16 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 3n99 s ALA 20 CO 0.56 -0.83 -0.23 0.15 0.00 0.00 0.00 175.76 175.40 3n99 s LYS 21 N -0.46 2.09 -0.19 0.00 1.02 -0.80 -4.87 119.74 116.54 3n99 s LYS 21 Ca 0.61 -0.94 -0.07 0.00 0.02 0.00 0.00 55.97 55.58 3n99 s LYS 21 Cb -0.44 -2.09 0.08 0.00 -0.52 0.00 0.00 37.83 34.86 3n99 s LYS 21 CO 0.45 0.56 0.41 -1.64 -0.92 0.00 0.00 175.35 174.21 3n99 s MET 22 N -0.86 0.33 0.23 1.68 -1.94 -1.26 -3.81 119.30 113.67 3n99 s MET 22 Ca 0.11 0.97 0.24 0.00 -1.71 0.00 0.00 55.69 55.30 3n99 s MET 22 Cb -0.10 0.24 0.34 0.00 2.01 0.00 0.00 34.83 37.33 3n99 s MET 22 CO 0.01 -0.23 1.40 0.00 -0.01 0.00 0.00 175.02 176.19 3n99 h ARG 23 N 7.97 0.00 -3.51 2.03 3.08 -2.00 -3.46 114.38 118.50 3n99 h ARG 23 Ca -0.20 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 3n99 h ARG 23 Cb 1.12 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.00 3n99 h ARG 23 CO 0.15 0.00 -0.38 0.45 -1.07 0.00 0.00 179.97 179.12 3n99 s SER 24 N -5.03 0.01 0.42 7.04 0.15 -1.26 -5.04 113.70 109.98 3n99 s SER 24 Ca 0.06 -0.32 0.13 0.00 0.70 0.00 0.00 55.95 56.52 3n99 s SER 24 Cb 0.10 0.29 0.89 0.00 -1.71 0.00 0.00 66.02 65.59 3n99 s SER 24 CO 0.70 -0.54 1.93 1.55 1.20 0.00 0.00 173.24 178.08 3n99 h PRO 25 N 3.52 0.04 -5.94 5.44 0.13 -1.96 -3.43 132.00 129.79 3n99 h PRO 25 Ca -0.32 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.22 3n99 h PRO 25 Cb 1.19 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3n99 h PRO 25 CO 0.47 0.27 -0.14 0.71 -0.23 0.00 0.00 178.00 179.08 3n99 s TYR 26 N -4.52 3.65 -0.13 1.56 2.02 -1.26 -4.15 117.35 114.52 3n99 s TYR 26 Ca -0.04 1.01 -0.11 0.00 -0.37 0.00 0.00 57.07 57.56 3n99 s TYR 26 Cb 0.15 -2.45 -0.05 0.00 -0.40 0.00 0.00 41.96 39.21 3n99 s TYR 26 CO 0.71 0.42 0.23 -1.12 -1.57 0.00 0.00 175.55 174.22 3n99 s SER 27 N -0.33 6.43 -0.26 2.29 0.01 0.26 -4.93 113.70 117.17 3n99 s SER 27 Ca 0.26 0.51 -0.15 0.00 1.31 0.00 0.00 55.95 57.88 3n99 s SER 27 Cb -0.17 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 3n99 s SER 27 CO 0.13 0.24 0.36 -0.69 0.41 0.00 0.00 173.24 173.69 3n99 s VAL 28 N -0.23 5.19 0.82 3.43 1.01 -1.26 -1.57 120.40 127.79 3n99 s VAL 28 Ca 0.15 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 3n99 s VAL 28 Cb -0.13 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.65 3n99 s VAL 28 CO 0.04 0.17 1.18 0.42 0.00 0.00 0.00 175.10 176.92 3n99 s THR 29 N 1.96 2.00 -0.46 3.92 -4.23 0.36 -3.78 115.64 115.42 3n99 s THR 29 Ca 0.15 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.91 3n99 s THR 29 Cb -0.16 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 70.98 3n99 s THR 29 CO 0.10 0.00 1.76 0.71 -0.54 0.00 0.00 174.62 176.65 3n99 h THR 30 N -1.11 0.00 -0.01 3.99 1.35 -1.71 -1.64 112.91 113.78 3n99 h THR 30 Ca -0.46 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3n99 h THR 30 Cb 1.33 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3n99 h THR 30 CO 0.65 0.00 -0.08 -0.62 -0.25 0.00 0.00 175.52 175.21 3n99 n GLU 31 N -2.39 1.23 -1.42 4.72 4.71 -1.26 -4.90 120.64 121.33 3n99 n GLU 31 Ca 0.03 -0.63 -0.00 0.00 -0.01 0.00 0.00 57.16 56.55 3n99 n GLU 31 Cb 0.30 -1.49 -0.00 0.00 -1.01 0.00 0.00 31.44 29.24 3n99 n GLU 31 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3n99 n GLY 32 N 1.22 0.38 3.89 0.62 0.00 -0.62 -5.05 105.19 105.62 3n99 n GLY 32 Ca 0.17 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 3n99 n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n99 s THR 33 N -2.01 2.68 0.04 2.61 -4.23 -1.26 -4.91 115.64 108.56 3n99 s THR 33 Ca 0.00 -1.32 0.07 0.00 -1.18 0.00 0.00 61.69 59.26 3n99 s THR 33 Cb 0.00 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 3n99 s THR 33 CO 0.00 0.00 -0.19 0.68 -0.54 0.00 0.00 174.62 174.57 3n99 s VAL 34 N -2.47 2.70 0.01 2.29 -7.23 -1.26 -0.48 120.40 113.96 3n99 s VAL 34 Ca 0.49 -1.20 0.03 0.00 -1.81 0.00 0.00 61.98 59.49 3n99 s VAL 34 Cb -0.04 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 3n99 s VAL 34 CO 0.28 0.35 -0.11 -0.13 -0.31 0.00 0.00 175.10 175.19 3n99 s ARG 35 N -1.38 0.81 -0.51 4.82 0.52 -0.61 -4.95 118.95 117.65 3n99 s ARG 35 Ca 0.14 -0.51 -0.17 0.00 -0.52 0.00 0.00 55.73 54.66 3n99 s ARG 35 Cb -0.10 -0.78 0.08 0.00 0.52 0.00 0.00 34.95 34.67 3n99 s ARG 35 CO 0.05 0.20 0.53 0.08 0.02 0.00 0.00 175.30 176.18 3n99 s VAL 36 N -0.53 5.06 0.03 3.52 1.01 -1.26 -0.58 120.40 127.65 3n99 s VAL 36 Ca 0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3n99 s VAL 36 Cb -0.06 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3n99 s VAL 36 CO 0.00 -0.77 -0.01 0.27 0.00 0.00 0.00 175.10 174.60 3n99 s ILE 37 N 2.10 0.15 0.49 2.22 -4.36 -1.26 -5.04 121.20 115.50 3n99 s ILE 37 Ca 0.08 -1.21 -0.23 0.00 -0.26 0.00 0.00 60.65 59.03 3n99 s ILE 37 Cb -0.23 -0.75 -0.08 0.00 1.25 0.00 0.00 42.46 42.65 3n99 s ILE 37 CO 0.08 -0.67 1.23 -2.65 0.24 0.00 0.00 174.94 173.17 3n99 n PRO 38 N 1.01 1.66 0.00 0.37 -0.02 -1.26 -4.79 135.00 131.96 3n99 n PRO 38 Ca -0.20 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3n99 n PRO 38 Cb 0.57 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3n99 n PRO 38 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3n99 n VAL 39 N -0.71 0.00 -3.76 -1.45 0.31 -1.26 -1.21 118.33 110.25 3n99 n VAL 39 Ca 0.09 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.16 3n99 n VAL 39 Cb 0.42 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.36 3n99 n VAL 39 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3n99 s LEU 40 N 0.00 2.69 0.00 7.52 0.05 -1.25 -4.34 118.68 123.35 3n99 s LEU 40 Ca 0.00 -1.23 0.00 0.00 0.05 0.00 0.00 54.13 52.95 3n99 s LEU 40 Cb 0.00 -1.17 0.00 0.00 -2.05 0.00 0.00 46.19 42.97 3n99 s LEU 40 CO 0.00 -1.21 0.00 0.61 -0.55 0.00 0.00 176.35 175.20 3n99 n GLY 41 N -1.88 -2.06 5.55 -3.48 0.00 -1.26 -1.91 105.19 100.15 3n99 n GLY 41 Ca 0.01 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.63 3n99 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n99 n GLY 42 N -0.70 -1.65 3.50 -0.02 0.00 -0.40 -4.55 105.19 101.37 3n99 n GLY 42 Ca 0.00 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 3n99 n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n99 s ILE 43 N -0.37 5.18 -0.34 -0.61 1.01 -1.26 -0.85 121.20 123.95 3n99 s ILE 43 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 3n99 s ILE 43 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3n99 s ILE 43 CO 0.00 -0.27 0.43 -0.89 0.00 0.00 0.00 174.94 174.20 3n99 s THR 44 N 1.94 5.11 0.15 2.92 2.01 -0.18 -4.98 115.64 122.59 3n99 s THR 44 Ca 0.09 0.21 0.09 0.00 0.31 0.00 0.00 61.69 62.40 3n99 s THR 44 Cb -0.18 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.35 3n99 s THR 44 CO 0.12 -0.12 1.42 1.88 -0.69 0.00 0.00 174.62 177.22 3n99 h TYR 45 N 8.43 0.00 0.00 4.92 0.05 -1.96 -3.32 116.97 125.09 3n99 h TYR 45 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 3n99 h TYR 45 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 3n99 h TYR 45 CO 0.71 0.81 -0.04 0.27 -1.05 0.00 0.00 178.16 178.86 3n99 n ASN 46 N -3.49 1.91 -3.97 3.88 6.94 -1.26 -4.95 115.26 114.33 3n99 n ASN 46 Ca -0.00 -2.50 -0.26 0.00 -0.02 0.00 0.00 54.58 51.80 3n99 n ASN 46 Cb 0.80 -0.23 -0.17 0.00 -2.36 0.00 0.00 39.78 37.82 3n99 n ASN 46 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3n99 s VAL 47 N -1.82 1.09 0.11 3.53 1.01 -1.26 -5.11 120.40 117.95 3n99 s VAL 47 Ca 0.16 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3n99 s VAL 47 Cb 0.14 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3n99 s VAL 47 CO 0.02 0.36 0.14 -1.59 0.00 0.00 0.00 175.10 174.03 3n99 s LYS 48 N 1.15 0.90 0.25 2.72 -2.85 -1.26 -1.71 119.74 118.94 3n99 s LYS 48 Ca -0.05 -1.19 -0.31 0.00 -1.00 0.00 0.00 55.97 53.42 3n99 s LYS 48 Cb -0.14 0.30 -0.12 0.00 -2.06 0.00 0.00 37.83 35.81 3n99 s LYS 48 CO -0.02 -0.28 1.58 1.55 0.10 0.00 0.00 175.35 178.28 3n99 n VAL 49 N -0.08 0.71 0.00 1.79 3.14 -1.26 -1.40 118.33 121.22 3n99 n VAL 49 Ca -0.10 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3n99 n VAL 49 Cb 0.63 -1.81 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 3n99 n VAL 49 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3n99 n GLY 50 N 2.63 2.82 3.76 7.55 0.00 0.85 -4.91 105.19 117.90 3n99 n GLY 50 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3n99 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n99 s ASP 51 N -0.41 4.22 0.35 1.61 1.01 -0.49 -4.72 116.67 118.23 3n99 s ASP 51 Ca 0.00 1.63 -0.28 0.00 0.71 0.00 0.00 52.55 54.60 3n99 s ASP 51 Cb 0.00 -2.34 -0.10 0.00 1.01 0.00 0.00 42.92 41.49 3n99 s ASP 51 CO 0.00 -2.19 1.35 -0.55 0.21 0.00 0.00 175.17 174.00 3n99 s SER 52 N -3.50 6.63 0.18 0.27 0.15 -1.26 -0.43 113.70 115.74 3n99 s SER 52 Ca 0.62 2.79 0.21 0.00 0.70 0.00 0.00 55.95 60.26 3n99 s SER 52 Cb -0.17 -2.65 0.87 0.00 -1.71 0.00 0.00 66.02 62.36 3n99 s SER 52 CO 0.56 -0.64 1.64 0.00 1.20 0.00 0.00 173.24 176.00 3n99 n ALA 53 N 0.66 1.69 -2.53 5.45 0.00 0.57 -4.62 120.51 121.74 3n99 n ALA 53 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 3n99 n ALA 53 Cb 0.41 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 3n99 n ALA 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3n99 s TYR 54 N -3.21 2.55 0.00 0.00 1.51 -1.26 -0.12 117.35 116.82 3n99 s TYR 54 Ca 0.05 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3n99 s TYR 54 Cb 0.10 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 3n99 s TYR 54 CO 0.36 0.43 0.00 0.41 -1.11 0.00 0.00 175.55 175.65 3n99 n GLY 55 N -1.00 1.57 3.78 0.71 0.00 -1.26 -5.02 105.19 103.98 3n99 n GLY 55 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3n99 n GLY 55 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3n99 s TRP 56 N -3.01 3.87 -1.28 1.61 0.52 -1.26 -4.97 118.94 114.43 3n99 s TRP 56 Ca 0.00 1.56 -0.18 0.00 0.02 0.00 0.00 56.10 57.50 3n99 s TRP 56 Cb 0.00 -2.73 0.02 0.00 -1.15 0.00 0.00 33.47 29.61 3n99 s TRP 56 CO 0.00 0.50 1.90 0.00 0.02 0.00 0.00 176.95 179.36 3n99 n ALA 57 N 1.77 3.70 -3.63 0.98 0.00 -1.26 -4.82 120.51 117.26 3n99 n ALA 57 Ca -0.06 -3.68 -0.01 0.00 0.00 0.00 0.00 53.44 49.69 3n99 n ALA 57 Cb 0.49 -3.57 -0.01 0.00 0.00 0.00 0.00 19.45 16.36 3n99 n ALA 57 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3n99 s GLY 58 N 4.42 -0.36 -0.04 0.00 0.00 -1.26 -4.33 107.32 105.74 3n99 s GLY 58 Ca 0.55 0.84 0.01 0.00 0.00 0.00 0.00 44.72 46.12 3n99 s GLY 58 CO 0.05 0.21 -0.03 -0.35 0.00 0.00 0.00 173.10 172.98 3n99 s ASP 59 N -2.77 0.88 -1.40 1.64 2.15 -0.35 -4.73 116.67 112.11 3n99 s ASP 59 Ca 0.12 -0.10 -0.07 0.00 0.43 0.00 0.00 52.55 52.94 3n99 s ASP 59 Cb 0.02 -0.39 0.04 0.00 -0.30 0.00 0.00 42.92 42.29 3n99 s ASP 59 CO -0.03 -0.08 0.51 1.41 -0.17 0.00 0.00 175.17 176.80 3n99 n HIS 60 N 4.17 -1.84 -2.04 -5.34 8.25 -1.08 -4.09 115.22 113.26 3n99 n HIS 60 Ca -0.24 0.46 -0.42 0.00 -0.26 0.00 0.00 57.72 57.27 3n99 n HIS 60 Cb 0.51 -3.63 -0.03 0.00 1.12 0.00 0.00 29.99 27.96 3n99 n HIS 60 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3n99 s VAL 61 N -3.02 2.85 -0.30 1.59 1.01 -1.26 -4.20 120.40 117.07 3n99 s VAL 61 Ca 0.33 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.85 3n99 s VAL 61 Cb -0.16 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3n99 s VAL 61 CO 0.41 0.07 0.16 -1.61 0.00 0.00 0.00 175.10 174.12 3n99 s GLU 62 N 0.64 3.52 0.57 2.72 2.02 -1.26 -1.25 118.70 125.65 3n99 s GLU 62 Ca 0.65 -0.60 -0.21 0.00 0.02 0.00 0.00 54.97 54.83 3n99 s GLU 62 Cb -0.41 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 3n99 s GLU 62 CO 0.35 -0.34 1.32 -1.25 0.02 0.00 0.00 175.26 175.35 3n99 s PRO 63 N 1.65 3.01 6.77 0.39 0.04 -1.26 -4.59 135.00 141.01 3n99 s PRO 63 Ca 0.06 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3n99 s PRO 63 Cb -0.17 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3n99 s PRO 63 CO 0.07 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.26 3n99 n GLY 64 N 0.73 2.45 3.38 0.56 0.00 -0.70 -4.52 105.19 107.10 3n99 n GLY 64 Ca 0.12 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3n99 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n99 s VAL 65 N 0.00 4.00 -0.06 1.61 1.01 -0.60 -1.01 120.40 125.35 3n99 s VAL 65 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 3n99 s VAL 65 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3n99 s VAL 65 CO 0.00 0.25 0.81 -0.44 0.00 0.00 0.00 175.10 175.72 3n99 s SER 66 N 1.54 7.11 -0.15 3.32 0.01 -0.03 -1.30 113.70 124.20 3n99 s SER 66 Ca 0.05 1.34 -0.01 0.00 1.31 0.00 0.00 55.95 58.64 3n99 s SER 66 Cb -0.16 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 3n99 s SER 66 CO 0.02 -0.21 -0.12 -0.69 0.41 0.00 0.00 173.24 172.65 3n99 s VAL 67 N 1.07 3.00 0.42 3.43 1.01 0.63 -0.84 120.40 129.12 3n99 s VAL 67 Ca 0.42 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.81 3n99 s VAL 67 Cb -0.19 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.85 3n99 s VAL 67 CO 0.20 0.51 0.07 0.00 0.00 0.00 0.00 175.10 175.88 3n99 s MET 68 N 0.67 2.06 0.61 2.72 0.23 -0.32 -0.60 119.30 124.68 3n99 s MET 68 Ca -0.06 -2.04 -0.15 0.00 -1.03 0.00 0.00 55.69 52.41 3n99 s MET 68 Cb -0.15 -1.75 -0.03 0.00 -1.53 0.00 0.00 34.83 31.37 3n99 s MET 68 CO 0.02 -0.09 1.06 0.00 -2.03 0.00 0.00 175.02 173.98 3n99 s ALA 69 N -2.68 2.73 0.32 3.16 0.00 -1.26 -0.82 121.76 123.21 3n99 s ALA 69 Ca 0.35 0.33 0.12 0.00 0.00 0.00 0.00 51.96 52.76 3n99 s ALA 69 Cb 0.08 -3.22 0.55 0.00 0.00 0.00 0.00 23.12 20.52 3n99 s ALA 69 CO 0.19 -0.89 1.73 0.00 0.00 0.00 0.00 175.76 176.78 3n99 h ARG 70 N 0.21 0.00 -3.10 0.00 3.08 -1.90 -3.44 114.38 109.24 3n99 h ARG 70 Ca -0.46 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.63 3n99 h ARG 70 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.22 3n99 h ARG 70 CO 0.57 0.49 0.18 -0.98 -1.07 0.00 0.00 179.97 179.16 3n99 s ARG 71 N -3.92 1.81 0.35 0.04 1.70 -1.26 -5.07 118.95 112.60 3n99 s ARG 71 Ca -0.02 -1.08 0.04 0.00 -0.47 0.00 0.00 55.73 54.20 3n99 s ARG 71 Cb 0.14 0.59 0.65 0.00 -0.57 0.00 0.00 34.95 35.76 3n99 s ARG 71 CO 0.74 -0.82 1.95 -0.22 -1.08 0.00 0.00 175.30 175.87 3n99 h LYS 72 N 2.03 0.64 0.00 3.89 3.64 -2.03 -2.20 116.57 122.55 3n99 h LYS 72 Ca -0.21 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3n99 h LYS 72 Cb 1.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3n99 h LYS 72 CO 0.27 0.53 0.00 0.93 -2.27 0.00 0.00 179.45 178.90 3n99 h GLU 73 N 0.64 0.00 -0.35 1.90 3.07 -2.00 -2.46 114.58 115.38 3n99 h GLU 73 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3n99 h GLU 73 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3n99 h GLU 73 CO -0.02 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.98 3n99 n GLU 74 N -3.00 2.35 -0.03 2.33 1.02 -0.83 -4.41 120.64 118.07 3n99 n GLU 74 Ca -0.01 -2.04 -0.14 0.00 -0.02 0.00 0.00 57.16 54.94 3n99 n GLU 74 Cb 0.17 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 3n99 n GLU 74 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3n99 h GLU 75 N 4.00 0.29 0.01 3.49 5.08 -1.52 -2.94 114.58 123.00 3n99 h GLU 75 Ca 0.00 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3n99 h GLU 75 Cb 0.88 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3n99 h GLU 75 CO 0.00 0.85 -0.11 0.82 -1.00 0.00 0.00 179.01 179.56 3n99 h ILE 76 N -0.21 0.72 -0.52 3.13 2.04 -1.79 -0.77 117.51 120.11 3n99 h ILE 76 Ca -0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 3n99 h ILE 76 Cb 0.88 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3n99 h ILE 76 CO 0.05 0.00 -0.05 1.55 0.00 0.00 0.00 178.15 179.70 3n99 h PRO 77 N -0.20 0.93 -0.57 2.37 0.13 -1.84 0.17 132.00 132.99 3n99 h PRO 77 Ca 0.04 -0.30 0.09 0.00 -0.87 0.00 0.00 66.00 64.96 3n99 h PRO 77 Cb 0.24 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 31.22 3n99 h PRO 77 CO -0.11 0.95 0.19 1.25 -0.23 0.00 0.00 178.00 180.05 3n99 h LEU 78 N 0.84 0.17 0.00 1.56 5.85 -1.30 -0.63 115.31 121.81 3n99 h LEU 78 Ca 0.15 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 3n99 h LEU 78 Cb 0.57 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3n99 h LEU 78 CO 0.03 0.11 -0.65 0.24 -0.34 0.00 0.00 178.44 177.83 3n99 h MET 79 N 0.36 0.00 0.08 1.25 2.86 -0.76 -3.16 114.93 115.56 3n99 h MET 79 Ca 0.28 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.62 3n99 h MET 79 Cb 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3n99 h MET 79 CO -0.30 0.54 -1.64 1.15 1.06 0.00 0.00 176.91 177.71 3n99 h THR 80 N 0.00 0.80 0.00 2.22 2.02 -0.40 -3.38 112.91 114.17 3n99 h THR 80 Ca -0.02 -2.30 -0.07 0.00 0.77 0.00 0.00 66.41 64.79 3n99 h THR 80 Cb 1.45 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 70.29 3n99 h THR 80 CO 0.07 0.67 -0.96 -0.07 0.37 0.00 0.00 175.52 175.59 3n99 h LEU 81 N -0.36 0.00 -9.38 2.58 3.38 -1.27 -3.45 115.31 106.81 3n99 h LEU 81 Ca -0.38 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.05 3n99 h LEU 81 Cb 1.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.49 3n99 h LEU 81 CO -0.02 0.27 0.85 -0.44 0.09 0.00 0.00 178.44 179.19 3n99 s SER 82 N -5.76 6.83 0.06 -0.43 0.01 -1.19 -3.87 113.70 109.35 3n99 s SER 82 Ca 0.00 2.15 0.08 0.00 1.31 0.00 0.00 55.95 59.49 3n99 s SER 82 Cb 0.08 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 3n99 s SER 82 CO 0.78 -0.73 -0.21 0.00 0.41 0.00 0.00 173.24 173.49 3n99 s ILE 84 N -0.94 2.73 0.00 0.00 1.01 0.20 -1.47 121.20 122.73 3n99 s ILE 84 Ca 0.14 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3n99 s ILE 84 Cb -0.10 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.16 3n99 s ILE 84 CO 0.05 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3n99 n GLY 85 N 4.01 1.25 3.74 6.18 0.00 0.14 -1.12 105.19 119.38 3n99 n GLY 85 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3n99 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n99 s ASN 86 N -1.69 4.82 0.36 1.61 0.02 -0.54 -4.58 114.94 114.94 3n99 s ASN 86 Ca 0.00 2.67 -0.25 0.00 -1.02 0.00 0.00 52.86 54.26 3n99 s ASN 86 Cb 0.00 -2.62 -0.10 0.00 0.02 0.00 0.00 41.25 38.55 3n99 s ASN 86 CO 0.00 -1.86 0.99 -0.70 0.02 0.00 0.00 177.10 175.55 3n99 s GLU 87 N -3.23 4.41 -0.04 -0.60 2.12 -1.26 -1.06 118.70 119.04 3n99 s GLU 87 Ca 0.79 1.40 0.00 0.00 0.36 0.00 0.00 54.97 57.52 3n99 s GLU 87 Cb -0.38 -2.67 0.03 0.00 0.26 0.00 0.00 34.13 31.36 3n99 s GLU 87 CO 0.42 0.10 -0.01 0.08 -0.54 0.00 0.00 175.26 175.31 3n99 s VAL 88 N -1.66 0.28 -0.10 3.70 1.01 -0.11 -0.90 120.40 122.61 3n99 s VAL 88 Ca 0.54 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.60 3n99 s VAL 88 Cb -0.19 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3n99 s VAL 88 CO 0.25 0.18 -0.23 -0.63 0.00 0.00 0.00 175.10 174.66 3n99 s ILE 89 N 1.14 2.01 -0.03 2.22 1.09 0.39 -0.21 121.20 127.82 3n99 s ILE 89 Ca -0.08 -0.99 -0.30 0.00 -1.10 0.00 0.00 60.65 58.18 3n99 s ILE 89 Cb -0.14 -1.75 -0.05 0.00 -1.06 0.00 0.00 42.46 39.47 3n99 s ILE 89 CO -0.02 0.55 1.35 -0.69 -0.10 0.00 0.00 174.94 176.03 3n99 s VAL 90 N 0.40 3.88 -1.14 2.92 1.01 -0.64 -1.37 120.40 125.46 3n99 s VAL 90 Ca -0.18 1.23 0.10 0.00 0.00 0.00 0.00 61.98 63.13 3n99 s VAL 90 Cb -0.18 -3.79 0.13 0.00 0.00 0.00 0.00 36.38 32.54 3n99 s VAL 90 CO 0.08 -0.01 0.93 0.23 0.00 0.00 0.00 175.10 176.32 3n99 n MET 91 N 5.46 1.06 -3.93 2.72 2.81 -0.25 0.34 117.12 125.33 3n99 n MET 91 Ca 0.13 -1.34 -0.08 0.00 -1.81 0.00 0.00 57.70 54.59 3n99 n MET 91 Cb 0.44 -1.21 -0.03 0.00 -0.71 0.00 0.00 33.22 31.71 3n99 n MET 91 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3n99 s SER 92 N -0.88 -0.10 0.00 7.83 1.04 -1.25 -4.85 113.70 115.48 3n99 s SER 92 Ca 0.14 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.73 3n99 s SER 92 Cb 0.09 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.88 3n99 s SER 92 CO 0.13 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.68 3n99 n GLY 93 N -0.43 -2.17 0.29 7.32 0.00 -1.26 -3.91 105.19 105.03 3n99 n GLY 93 Ca -0.03 -1.53 0.19 0.00 0.00 0.00 0.00 46.02 44.65 3n99 n GLY 93 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3n99 h ASP 94 N 0.00 0.00 -0.68 1.61 3.32 -1.98 -2.32 116.42 116.36 3n99 h ASP 94 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n99 h ASP 94 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3n99 h ASP 94 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3n99 n ALA 95 N -2.09 2.72 -1.54 3.45 0.00 -1.26 -4.99 120.51 116.80 3n99 n ALA 95 Ca -0.00 -1.46 -0.52 0.00 0.00 0.00 0.00 53.44 51.46 3n99 n ALA 95 Cb 0.25 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 3n99 n ALA 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3n99 n LYS 96 N 1.35 0.73 0.00 0.00 4.81 -0.88 -0.72 118.16 123.46 3n99 n LYS 96 Ca 0.25 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 3n99 n LYS 96 Cb 0.75 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 34.07 3n99 n LYS 96 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3n99 n GLY 97 N 1.98 2.68 3.76 3.14 0.00 0.15 -4.99 105.19 111.92 3n99 n GLY 97 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3n99 n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n99 s SER 98 N -1.42 5.75 -0.01 1.61 0.01 0.10 -4.75 113.70 115.00 3n99 s SER 98 Ca 0.00 2.62 0.05 0.00 1.31 0.00 0.00 55.95 59.93 3n99 s SER 98 Cb 0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 3n99 s SER 98 CO 0.00 -1.23 -0.16 -0.13 0.41 0.00 0.00 173.24 172.13 3n99 s ARG 99 N -2.70 2.32 0.07 12.44 0.52 -1.26 -1.63 118.95 128.71 3n99 s ARG 99 Ca 0.66 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 3n99 s ARG 99 Cb -0.37 -2.29 -0.00 0.00 0.52 0.00 0.00 34.95 32.81 3n99 s ARG 99 CO 0.45 0.59 0.07 0.41 0.02 0.00 0.00 175.30 176.84 3n99 n GLY 100 N 1.97 3.54 3.03 -3.53 0.00 0.70 -4.60 105.19 106.31 3n99 n GLY 100 Ca -0.16 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 3n99 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n99 s PHE 101 N -2.94 0.75 -0.04 1.61 0.08 -0.26 -0.93 117.98 116.24 3n99 s PHE 101 Ca 0.08 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.60 3n99 s PHE 101 Cb 0.00 -0.47 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 3n99 s PHE 101 CO 0.06 -0.02 1.47 0.08 -0.10 0.00 0.00 175.22 176.71 3n99 s VAL 102 N -0.49 3.72 -0.17 -0.44 1.01 -0.22 -0.35 120.40 123.45 3n99 s VAL 102 Ca 0.00 1.01 0.22 0.00 0.00 0.00 0.00 61.98 63.22 3n99 s VAL 102 Cb -0.05 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 3n99 s VAL 102 CO 0.00 -0.04 0.80 0.35 0.00 0.00 0.00 175.10 176.21 3n99 n THR 103 N 5.01 0.32 -1.96 3.92 -2.24 0.80 0.24 114.28 120.37 3n99 n THR 103 Ca 0.15 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3n99 n THR 103 Cb 0.43 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3n99 n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n99 n GLY 104 N 1.23 -1.37 3.36 3.38 0.00 -1.05 -4.86 105.19 105.87 3n99 n GLY 104 Ca -0.02 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 3n99 n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n99 s LYS 105 N -1.07 0.89 -0.12 1.61 -2.85 -1.26 -0.20 119.74 116.73 3n99 s LYS 105 Ca 0.00 -0.11 -0.01 0.00 -1.00 0.00 0.00 55.97 54.85 3n99 s LYS 105 Cb 0.00 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.20 3n99 s LYS 105 CO 0.00 -0.28 -0.06 -1.58 0.10 0.00 0.00 175.35 173.52 3n99 s HIS 106 N -1.72 1.45 0.64 1.78 2.46 0.43 -4.15 115.29 116.17 3n99 s HIS 106 Ca -0.10 -0.75 -0.09 0.00 0.47 0.00 0.00 55.06 54.59 3n99 s HIS 106 Cb -0.02 -1.21 -0.00 0.00 -0.13 0.00 0.00 32.58 31.22 3n99 s HIS 106 CO 0.03 -0.52 1.00 0.20 -2.47 0.00 0.00 174.74 172.99 3n99 s GLY 107 N 1.72 1.62 0.00 1.59 0.00 -1.26 -1.72 107.32 109.26 3n99 s GLY 107 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3n99 s GLY 107 CO -0.08 -0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.54 3n99 n GLY 108 N -2.77 0.75 0.31 0.20 0.00 -1.26 -4.28 105.19 98.14 3n99 n GLY 108 Ca 0.05 -0.68 0.16 0.00 0.00 0.00 0.00 46.02 45.55 3n99 n GLY 108 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3n99 h VAL 109 N 0.00 0.46 -5.09 1.61 -1.51 -2.04 -3.47 116.25 106.20 3n99 h VAL 109 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.36 3n99 h VAL 109 Cb 0.00 0.97 0.08 0.00 -2.13 0.00 0.00 31.29 30.22 3n99 h VAL 109 CO 0.00 0.00 -0.36 0.59 -1.23 0.00 0.00 177.57 176.57 3n99 n ASN 110 N -3.75 -6.57 -4.47 4.19 3.02 -0.92 -4.95 115.26 101.81 3n99 n ASN 110 Ca -0.02 -0.33 -0.31 0.00 -0.03 0.00 0.00 54.58 53.88 3n99 n ASN 110 Cb 0.12 -4.68 -0.13 0.00 -0.61 0.00 0.00 39.78 34.48 3n99 n ASN 110 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3n99 s HIS 111 N -3.16 2.62 -0.13 3.10 3.76 -0.70 -4.46 115.29 116.31 3n99 s HIS 111 Ca 0.19 -0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 54.85 3n99 s HIS 111 Cb -0.03 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 3n99 s HIS 111 CO 0.65 0.24 0.00 0.08 -0.85 0.00 0.00 174.74 174.86 3n99 s VAL 112 N -0.88 4.28 -0.15 -0.90 1.01 0.23 -0.43 120.40 123.56 3n99 s VAL 112 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3n99 s VAL 112 Cb -0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3n99 s VAL 112 CO 0.04 0.53 0.05 -0.76 0.00 0.00 0.00 175.10 174.97 3n99 s LEU 113 N -0.17 3.82 -0.05 3.92 1.43 0.72 -0.27 118.68 128.08 3n99 s LEU 113 Ca 0.05 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3n99 s LEU 113 Cb -0.13 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.16 3n99 s LEU 113 CO 0.02 0.26 -0.13 -0.69 0.23 0.00 0.00 176.35 176.04 3n99 s VAL 114 N -0.15 1.13 -0.25 -1.59 1.01 -0.42 -0.14 120.40 119.99 3n99 s VAL 114 Ca 0.07 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 3n99 s VAL 114 Cb -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3n99 s VAL 114 CO 0.01 0.34 0.35 -2.28 0.00 0.00 0.00 175.10 173.53 3n99 s HIS 115 N 0.38 3.28 0.22 5.22 2.46 0.53 -1.55 115.29 125.83 3n99 s HIS 115 Ca -0.09 0.43 0.09 0.00 0.47 0.00 0.00 55.06 55.96 3n99 s HIS 115 Cb -0.13 -2.52 -0.04 0.00 -0.13 0.00 0.00 32.58 29.75 3n99 s HIS 115 CO 0.02 -0.15 -0.02 -0.06 -2.47 0.00 0.00 174.74 172.06 3n99 s PHE 116 N 1.78 2.72 0.65 3.88 0.08 -1.26 -1.10 117.98 124.72 3n99 s PHE 116 Ca 0.15 -0.20 -0.18 0.00 0.12 0.00 0.00 56.93 56.82 3n99 s PHE 116 Cb -0.15 -1.26 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 3n99 s PHE 116 CO 0.09 0.57 1.28 -1.21 -0.10 0.00 0.00 175.22 175.85 3n99 s GLU 117 N -3.30 2.57 0.35 0.44 2.02 -1.26 -4.89 118.70 114.63 3n99 s GLU 117 Ca 0.29 2.02 0.05 0.00 0.02 0.00 0.00 54.97 57.35 3n99 s GLU 117 Cb -0.08 -1.85 0.71 0.00 0.10 0.00 0.00 34.13 33.01 3n99 s GLU 117 CO 0.18 -1.57 1.94 1.49 0.02 0.00 0.00 175.26 177.33 3n99 h GLU 118 N 0.53 0.78 0.00 1.61 4.81 -2.01 -0.93 114.58 119.37 3n99 h GLU 118 Ca -0.51 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 3n99 h GLU 118 Cb 1.33 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3n99 h GLU 118 CO 0.53 0.52 -0.08 0.93 -0.73 0.00 0.00 179.01 180.18 3n99 h GLU 119 N 0.80 0.00 0.00 1.92 5.08 -2.04 -2.67 114.58 117.67 3n99 h GLU 119 Ca 0.34 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.54 3n99 h GLU 119 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3n99 h GLU 119 CO -0.12 0.08 -0.72 0.28 -1.00 0.00 0.00 179.01 177.53 3n99 h VAL 120 N 0.00 1.33 -0.24 3.13 2.07 -1.52 -3.35 116.25 117.68 3n99 h VAL 120 Ca -0.00 -2.65 -0.06 0.00 0.82 0.00 0.00 66.70 64.81 3n99 h VAL 120 Cb 0.19 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3n99 h VAL 120 CO 0.01 0.71 -0.12 -0.07 0.02 0.00 0.00 177.57 178.12 3n99 h LEU 121 N 0.00 0.37 -1.04 2.57 3.38 -1.53 -1.73 115.31 117.33 3n99 h LEU 121 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3n99 h LEU 121 Cb 1.45 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3n99 h LEU 121 CO 0.09 0.52 0.00 1.23 0.09 0.00 0.00 178.44 180.37 3n99 h GLY 122 N 0.85 0.00 -0.08 0.83 0.00 -1.72 -2.76 103.07 100.19 3n99 h GLY 122 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3n99 h GLY 122 CO 0.02 0.00 -0.59 0.28 0.00 0.00 0.00 176.54 176.26 3n99 n LYS 123 N -3.00 0.56 -2.34 4.80 5.02 -0.66 -4.98 118.16 117.56 3n99 n LYS 123 Ca 0.02 -0.42 -0.32 0.00 -2.02 0.00 0.00 58.31 55.57 3n99 n LYS 123 Cb 0.35 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 3n99 n LYS 123 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3n99 s LEU 124 N -2.73 3.60 0.01 -0.35 1.43 -1.04 -4.14 118.68 115.46 3n99 s LEU 124 Ca 0.15 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 3n99 s LEU 124 Cb 0.18 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.88 3n99 s LEU 124 CO 0.67 -0.66 -0.02 -0.32 0.23 0.00 0.00 176.35 176.25 3n99 s MET 125 N -4.11 0.20 0.30 1.70 -2.45 -1.26 -5.06 119.30 108.62 3n99 s MET 125 Ca 0.59 -0.33 -0.30 0.00 -1.25 0.00 0.00 55.69 54.40 3n99 s MET 125 Cb -0.11 -0.00 -0.11 0.00 1.25 0.00 0.00 34.83 35.86 3n99 s MET 125 CO 0.33 -0.01 1.59 0.08 1.05 0.00 0.00 175.02 178.06 3n99 s VAL 126 N -0.74 2.06 0.00 10.11 1.01 -1.26 -1.68 120.40 129.89 3n99 s VAL 126 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3n99 s VAL 126 Cb -0.05 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3n99 s VAL 126 CO -0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3n99 n GLY 127 N 2.10 2.72 3.78 4.51 0.00 0.12 -4.93 105.19 113.49 3n99 n GLY 127 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3n99 n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n99 s ASP 128 N -1.30 6.27 0.44 1.61 1.01 -0.68 -4.51 116.67 119.52 3n99 s ASP 128 Ca 0.00 3.05 -0.22 0.00 0.71 0.00 0.00 52.55 56.09 3n99 s ASP 128 Cb 0.00 -2.67 -0.08 0.00 1.01 0.00 0.00 42.92 41.18 3n99 s ASP 128 CO 0.00 -0.92 1.07 -0.54 0.21 0.00 0.00 175.17 174.98 3n99 s LYS 129 N -2.15 3.94 -0.03 8.23 1.02 -1.26 -1.59 119.74 127.90 3n99 s LYS 129 Ca 0.54 1.50 -0.01 0.00 0.02 0.00 0.00 55.97 58.03 3n99 s LYS 129 Cb -0.46 -2.35 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 3n99 s LYS 129 CO 0.63 -0.33 0.03 0.42 -0.92 0.00 0.00 175.35 175.18 3n99 s ILE 130 N -1.75 0.01 -0.27 2.17 -1.09 -0.37 -1.09 121.20 118.80 3n99 s ILE 130 Ca 0.63 0.24 -0.08 0.00 -2.23 0.00 0.00 60.65 59.20 3n99 s ILE 130 Cb -0.21 -0.17 -0.02 0.00 -1.58 0.00 0.00 42.46 40.48 3n99 s ILE 130 CO 0.26 0.14 0.10 -0.22 -1.23 0.00 0.00 174.94 173.98 3n99 s LEU 131 N 1.40 3.71 -0.22 2.97 2.96 -0.47 -1.32 118.68 127.71 3n99 s LEU 131 Ca -0.05 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 3n99 s LEU 131 Cb -0.13 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3n99 s LEU 131 CO -0.03 -0.11 0.09 -0.63 -1.32 0.00 0.00 176.35 174.36 3n99 s ILE 132 N 1.60 4.77 -1.16 6.68 1.01 0.92 -0.46 121.20 134.56 3n99 s ILE 132 Ca 0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 3n99 s ILE 132 Cb -0.16 -3.20 0.13 0.00 0.01 0.00 0.00 42.46 39.24 3n99 s ILE 132 CO 0.04 0.38 1.45 -0.54 0.00 0.00 0.00 174.94 176.28 3n99 s LYS 133 N 1.02 3.92 0.11 2.79 1.02 -0.08 -1.00 119.74 127.53 3n99 s LYS 133 Ca 0.05 -2.14 -0.31 0.00 0.02 0.00 0.00 55.97 53.59 3n99 s LYS 133 Cb -0.14 -5.18 -0.08 0.00 -0.52 0.00 0.00 37.83 31.90 3n99 s LYS 133 CO 0.03 -1.93 1.50 0.00 -0.92 0.00 0.00 175.35 174.03 3n99 s ALA 134 N 2.77 3.67 -0.29 5.17 0.00 -0.48 -4.33 121.76 128.28 3n99 s ALA 134 Ca 0.44 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 3n99 s ALA 134 Cb -0.01 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.64 3n99 s ALA 134 CO -0.01 -0.79 0.79 -0.46 0.00 0.00 0.00 175.76 175.29 3n99 s TRP 135 N 1.53 -1.00 0.00 0.00 -0.00 -1.25 -1.64 118.94 116.58 3n99 s TRP 135 Ca 0.68 1.83 0.00 0.00 -0.00 0.00 0.00 56.10 58.61 3n99 s TRP 135 Cb -0.39 0.60 0.00 0.00 -0.00 0.00 0.00 33.47 33.68 3n99 s TRP 135 CO 0.30 -0.50 0.00 0.41 -0.00 0.00 0.00 176.95 177.17 3n99 n GLY 136 N 4.79 2.25 3.74 5.86 0.00 -1.26 -4.08 105.19 116.48 3n99 n GLY 136 Ca -0.14 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3n99 n GLY 136 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n99 s GLN 137 N 0.00 4.45 0.00 1.61 -1.52 -1.26 -2.26 119.66 120.68 3n99 s GLN 137 Ca 0.00 1.93 0.00 0.00 -1.95 0.00 0.00 55.36 55.34 3n99 s GLN 137 Cb 0.00 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 3n99 s GLN 137 CO 0.00 -0.15 0.00 0.41 -0.25 0.00 0.00 175.29 175.30 3n99 n GLY 138 N 2.29 0.38 3.76 3.09 0.00 -1.26 -4.77 105.19 108.67 3n99 n GLY 138 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3n99 n GLY 138 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3n99 s LEU 139 N 0.00 4.34 0.01 0.99 2.96 -0.96 -4.96 118.68 121.05 3n99 s LEU 139 Ca 0.00 2.97 0.02 0.00 -0.22 0.00 0.00 54.13 56.90 3n99 s LEU 139 Cb 0.00 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 3n99 s LEU 139 CO 0.00 -0.91 -0.07 -0.54 -1.32 0.00 0.00 176.35 173.51 3n99 s LYS 140 N -0.78 0.55 -0.38 1.98 1.02 -1.26 -4.45 119.74 116.42 3n99 s LYS 140 Ca 0.61 -0.35 -0.20 0.00 0.02 0.00 0.00 55.97 56.06 3n99 s LYS 140 Cb -0.48 -0.50 0.01 0.00 -0.52 0.00 0.00 37.83 36.35 3n99 s LYS 140 CO 0.51 0.13 0.62 -0.51 -0.92 0.00 0.00 175.35 175.17 3n99 s LEU 141 N -0.44 4.34 0.40 3.17 1.43 -1.26 -2.69 118.68 123.62 3n99 s LEU 141 Ca 0.00 -0.02 0.20 0.00 -1.03 0.00 0.00 54.13 53.28 3n99 s LEU 141 Cb -0.04 -2.73 0.77 0.00 0.03 0.00 0.00 46.19 44.22 3n99 s LEU 141 CO -0.00 -0.63 1.77 -0.07 0.23 0.00 0.00 176.35 177.66 3n99 h LEU 142 N 9.42 0.00 -1.87 1.79 3.38 -0.64 -2.59 115.31 124.80 3n99 h LEU 142 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3n99 h LEU 142 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3n99 h LEU 142 CO 0.84 0.32 0.00 0.47 0.09 0.00 0.00 178.44 180.17 3n99 n ASP 143 N -3.52 2.84 -3.21 -0.43 8.00 -1.26 -4.50 116.55 114.47 3n99 n ASP 143 Ca -0.00 -1.90 -0.23 0.00 0.71 0.00 0.00 54.79 53.36 3n99 n ASP 143 Cb 0.47 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 3n99 n ASP 143 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3n99 n HIS 144 N 1.14 0.77 0.28 1.24 8.25 -0.98 -4.98 115.22 120.93 3n99 n HIS 144 Ca 0.17 -3.75 0.18 0.00 -0.26 0.00 0.00 57.72 54.06 3n99 n HIS 144 Cb 0.54 -0.41 0.95 0.00 1.12 0.00 0.00 29.99 32.19 3n99 n HIS 144 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3n99 h PRO 145 N 3.73 0.00 -0.22 -0.41 0.13 -1.79 -1.39 132.00 132.06 3n99 h PRO 145 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3n99 h PRO 145 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3n99 h PRO 145 CO 0.56 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 3n99 n ASP 146 N -3.42 2.40 -4.41 1.44 8.00 -1.26 -4.72 116.55 114.58 3n99 n ASP 146 Ca -0.01 -1.82 -0.40 0.00 0.71 0.00 0.00 54.79 53.27 3n99 n ASP 146 Cb 0.23 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.09 3n99 n ASP 146 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n99 s VAL 147 N -1.73 4.62 -0.10 2.53 1.01 -0.53 -4.52 120.40 121.69 3n99 s VAL 147 Ca 0.34 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 3n99 s VAL 147 Cb 0.20 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3n99 s VAL 147 CO 0.29 -0.12 0.52 -0.54 0.00 0.00 0.00 175.10 175.26 3n99 s LYS 148 N 1.58 4.34 0.21 2.72 -0.14 -0.53 -4.59 119.74 123.33 3n99 s LYS 148 Ca 0.03 0.54 0.11 0.00 -1.36 0.00 0.00 55.97 55.29 3n99 s LYS 148 Cb -0.18 -3.42 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 3n99 s LYS 148 CO 0.07 0.18 -0.17 0.14 -0.76 0.00 0.00 175.35 174.81 3n99 s VAL 149 N 0.52 2.72 -0.04 3.17 -7.23 -1.26 -1.23 120.40 117.04 3n99 s VAL 149 Ca 0.28 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 3n99 s VAL 149 Cb -0.16 -2.35 0.11 0.00 0.56 0.00 0.00 36.38 34.54 3n99 s VAL 149 CO 0.12 -0.19 0.98 0.00 -0.31 0.00 0.00 175.10 175.70 3n99 s MET 150 N -2.95 0.70 -1.65 4.82 0.23 -0.82 -4.67 119.30 114.97 3n99 s MET 150 Ca 0.24 -0.27 0.00 0.00 -1.03 0.00 0.00 55.69 54.64 3n99 s MET 150 Cb -0.08 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 3n99 s MET 150 CO 0.13 -0.31 0.00 0.09 -2.03 0.00 0.00 175.02 172.90 3n99 n ASN 151 N -0.22 -5.46 -3.86 -1.18 3.02 -1.26 -4.24 115.26 102.06 3n99 n ASN 151 Ca -0.06 0.38 -0.20 0.00 -0.03 0.00 0.00 54.58 54.67 3n99 n ASN 151 Cb 0.61 -4.32 -0.17 0.00 -0.61 0.00 0.00 39.78 35.29 3n99 n ASN 151 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3n99 s ILE 152 N -2.38 0.48 0.09 2.41 2.07 -1.26 -0.62 121.20 121.98 3n99 s ILE 152 Ca 0.00 -0.06 -0.34 0.00 -1.41 0.00 0.00 60.65 58.84 3n99 s ILE 152 Cb 0.00 -0.54 -0.14 0.00 0.13 0.00 0.00 42.46 41.91 3n99 s ILE 152 CO 0.00 0.23 1.61 -0.67 -1.91 0.00 0.00 174.94 174.20 3n99 n ASP 153 N 4.30 2.95 0.13 4.50 -0.08 -0.28 -4.52 116.55 123.55 3n99 n ASP 153 Ca -0.21 1.07 0.05 0.00 -1.51 0.00 0.00 54.79 54.18 3n99 n ASP 153 Cb 0.51 -1.38 0.48 0.00 2.34 0.00 0.00 41.12 43.07 3n99 n ASP 153 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3n99 h PRO 154 N 6.44 0.25 -0.50 -0.67 0.11 -1.91 -0.64 132.00 135.08 3n99 h PRO 154 Ca -0.46 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 3n99 h PRO 154 Cb 1.27 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3n99 h PRO 154 CO 0.89 0.25 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.42 3n99 h ASP 155 N 0.25 0.93 -0.38 -2.05 3.32 -1.96 -2.93 116.42 113.60 3n99 h ASP 155 Ca 0.06 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 3n99 h ASP 155 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3n99 h ASP 155 CO -0.00 1.04 0.05 0.25 -1.72 0.00 0.00 179.24 178.86 3n99 h LEU 156 N 0.79 0.69 -0.70 1.55 5.85 -1.75 -2.93 115.31 118.80 3n99 h LEU 156 Ca 0.13 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3n99 h LEU 156 Cb 0.61 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3n99 h LEU 156 CO 0.04 0.73 0.46 0.15 -0.34 0.00 0.00 178.44 179.47 3n99 h PHE 157 N 0.69 0.89 0.00 1.25 3.57 -0.96 -1.26 116.94 121.12 3n99 h PHE 157 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3n99 h PHE 157 Cb 0.36 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3n99 h PHE 157 CO 0.02 0.57 0.00 0.93 -2.23 0.00 0.00 178.31 177.59 3n99 h GLU 158 N 0.95 0.00 -0.02 1.11 5.08 -1.34 -2.38 114.58 117.97 3n99 h GLU 158 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3n99 h GLU 158 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3n99 h GLU 158 CO -0.05 0.00 -0.06 1.63 -1.00 0.00 0.00 179.01 179.53 3n99 n LYS 159 N -2.60 1.93 0.00 2.33 5.02 -0.49 -4.44 118.16 119.91 3n99 n LYS 159 Ca 0.00 -1.45 0.16 0.00 -2.02 0.00 0.00 58.31 55.00 3n99 n LYS 159 Cb 0.19 -1.47 0.90 0.00 -0.02 0.00 0.00 35.03 34.63 3n99 n LYS 159 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3n99 n LEU 160 N 0.73 0.01 -0.82 -0.35 4.77 -0.90 -4.87 117.00 115.58 3n99 n LEU 160 Ca 0.15 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3n99 n LEU 160 Cb 0.50 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 3n99 n LEU 160 CO 0.17 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.75 3n99 n GLY 161 N 1.08 0.61 3.73 -0.72 0.00 -1.26 -4.70 105.19 103.93 3n99 n GLY 161 Ca 0.21 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3n99 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n99 s ILE 162 N -2.38 4.09 -0.02 -0.61 1.01 -1.26 -4.50 121.20 117.53 3n99 s ILE 162 Ca 0.00 1.68 0.02 0.00 0.00 0.00 0.00 60.65 62.35 3n99 s ILE 162 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3n99 s ILE 162 CO 0.00 0.23 -0.08 -1.10 0.00 0.00 0.00 174.94 173.99 3n99 s GLN 163 N 0.15 0.83 -0.00 2.79 -0.21 -0.45 -4.94 119.66 117.83 3n99 s GLN 163 Ca 0.51 -0.27 -0.06 0.00 0.02 0.00 0.00 55.36 55.57 3n99 s GLN 163 Cb -0.28 -0.79 -0.05 0.00 1.00 0.00 0.00 33.01 32.90 3n99 s GLN 163 CO 0.32 0.11 0.25 -1.83 -2.12 0.00 0.00 175.29 172.02 3n99 s GLU 164 N 0.16 3.55 -0.30 2.91 -1.05 -1.26 0.40 118.70 123.12 3n99 s GLU 164 Ca -0.02 -0.11 -0.12 0.00 -0.15 0.00 0.00 54.97 54.57 3n99 s GLU 164 Cb -0.07 -3.09 0.14 0.00 -0.44 0.00 0.00 34.13 30.66 3n99 s GLU 164 CO 0.00 0.66 0.73 0.21 0.95 0.00 0.00 175.26 177.81 3n99 s LYS 165 N -1.74 0.52 -1.39 -4.83 2.20 -0.53 -4.97 119.74 109.01 3n99 s LYS 165 Ca 0.27 1.27 -0.08 0.00 -0.36 0.00 0.00 55.97 57.07 3n99 s LYS 165 Cb -0.13 0.73 0.01 0.00 -1.51 0.00 0.00 37.83 36.92 3n99 s LYS 165 CO 0.16 -0.17 1.06 -1.71 -0.36 0.00 0.00 175.35 174.32 3n99 n ASN 166 N 5.25 -6.32 -0.28 1.43 4.05 -1.26 -1.75 115.26 116.38 3n99 n ASN 166 Ca -0.12 -0.48 -0.04 0.00 0.45 0.00 0.00 54.58 54.39 3n99 n ASN 166 Cb 0.51 -4.99 -0.02 0.00 1.23 0.00 0.00 39.78 36.51 3n99 n ASN 166 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3n99 n GLY 167 N -1.91 0.64 3.20 8.20 0.00 -1.26 -5.03 105.19 109.04 3n99 n GLY 167 Ca -0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3n99 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n99 s LYS 168 N -1.70 0.91 -0.19 1.61 1.02 -0.72 -4.87 119.74 115.81 3n99 s LYS 168 Ca 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 3n99 s LYS 168 Cb 0.00 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 3n99 s LYS 168 CO 0.00 0.17 -0.05 0.42 -0.92 0.00 0.00 175.35 174.97 3n99 s ILE 169 N -1.77 3.52 -0.19 2.17 -1.09 0.11 -1.45 121.20 122.51 3n99 s ILE 169 Ca 0.04 -0.46 -0.09 0.00 -2.23 0.00 0.00 60.65 57.91 3n99 s ILE 169 Cb -0.07 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 3n99 s ILE 169 CO 0.02 0.45 0.10 -1.00 -1.23 0.00 0.00 174.94 173.28 3n99 s HIS 170 N 1.03 3.34 -0.15 3.97 3.76 0.16 0.01 115.29 127.41 3n99 s HIS 170 Ca 0.01 0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 3n99 s HIS 170 Cb -0.15 -2.11 0.04 0.00 1.11 0.00 0.00 32.58 31.48 3n99 s HIS 170 CO 0.00 0.25 -0.04 0.08 -0.85 0.00 0.00 174.74 174.18 3n99 s VAL 171 N 0.29 0.90 0.10 -0.90 1.01 -0.21 -1.34 120.40 120.25 3n99 s VAL 171 Ca 0.06 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 3n99 s VAL 171 Cb -0.12 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 3n99 s VAL 171 CO -0.01 0.14 1.44 -2.16 0.00 0.00 0.00 175.10 174.52 3n99 s PRO 172 N 1.73 4.29 0.07 2.72 0.05 -1.26 -0.47 135.00 142.13 3n99 s PRO 172 Ca 0.02 2.13 0.03 0.00 0.05 0.00 0.00 61.00 63.23 3n99 s PRO 172 Cb -0.15 -3.31 -0.03 0.00 0.05 0.00 0.00 34.50 31.07 3n99 s PRO 172 CO -0.07 -0.51 -0.10 0.14 0.05 0.00 0.00 177.00 176.51 3n99 s VAL 173 N 1.41 0.81 -0.55 -0.36 -7.23 -0.30 -4.85 120.40 109.33 3n99 s VAL 173 Ca 0.66 -1.40 0.24 0.00 -1.81 0.00 0.00 61.98 59.67 3n99 s VAL 173 Cb -0.37 -1.07 0.28 0.00 0.56 0.00 0.00 36.38 35.78 3n99 s VAL 173 CO 0.30 -0.46 1.62 -0.37 -0.31 0.00 0.00 175.10 175.88 3n99 h VAL 174 N 3.98 0.00 -2.17 1.32 -1.51 -1.10 0.49 116.25 117.27 3n99 h VAL 174 Ca -0.37 -0.78 0.03 0.00 -1.23 0.00 0.00 66.70 64.35 3n99 h VAL 174 Cb 1.19 1.72 -0.18 0.00 -2.13 0.00 0.00 31.29 31.90 3n99 h VAL 174 CO 0.47 0.00 0.36 0.00 -1.23 0.00 0.00 177.57 177.17 3n99 s ALA 175 N -3.18 -1.79 -0.22 5.19 0.00 -1.26 -4.71 121.76 115.79 3n99 s ALA 175 Ca 0.08 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 3n99 s ALA 175 Cb 0.08 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3n99 s ALA 175 CO 0.65 -0.52 -0.12 0.15 0.00 0.00 0.00 175.76 175.93 3n99 s LYS 176 N -2.20 2.90 -0.22 0.00 1.02 -1.26 -1.38 119.74 118.60 3n99 s LYS 176 Ca -0.02 -0.91 -0.09 0.00 0.02 0.00 0.00 55.97 54.96 3n99 s LYS 176 Cb -0.01 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 3n99 s LYS 176 CO -0.02 -0.32 0.12 0.42 -0.92 0.00 0.00 175.35 174.64 3n99 s ILE 177 N 1.31 5.09 0.62 2.17 1.01 0.52 -4.91 121.20 127.00 3n99 s ILE 177 Ca 0.02 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 3n99 s ILE 177 Cb -0.15 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 3n99 s ILE 177 CO -0.08 0.38 1.13 -2.84 0.00 0.00 0.00 174.94 173.53 3n99 s PRO 178 N 0.92 2.96 0.31 2.79 0.02 -1.26 -0.46 135.00 140.27 3n99 s PRO 178 Ca 0.06 1.51 0.08 0.00 0.02 0.00 0.00 61.00 62.67 3n99 s PRO 178 Cb -0.13 -1.96 0.85 0.00 0.02 0.00 0.00 34.50 33.28 3n99 s PRO 178 CO 0.03 -1.14 1.69 0.00 -0.33 0.00 0.00 177.00 177.25 3n99 h ALA 179 N 0.46 1.64 0.00 -1.55 0.00 -1.82 -1.94 119.26 116.04 3n99 h ALA 179 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3n99 h ALA 179 Cb 1.26 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3n99 h ALA 179 CO 0.55 -0.38 0.00 -2.39 0.00 0.00 0.00 179.25 177.03 3n99 n HIS 180 N -5.02 0.27 1.39 0.00 1.44 -1.26 -1.52 115.22 110.53 3n99 n HIS 180 Ca 0.26 0.10 0.14 0.00 -2.01 0.00 0.00 57.72 56.20 3n99 n HIS 180 Cb 0.75 -0.67 0.44 0.00 0.12 0.00 0.00 29.99 30.64 3n99 n HIS 180 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3n99 n MET 181 N -1.74 1.57 -3.40 -1.40 2.00 -0.73 -4.88 117.12 108.54 3n99 n MET 181 Ca 0.04 -0.98 -0.38 0.00 0.00 0.00 0.00 57.70 56.38 3n99 n MET 181 Cb 0.21 -1.48 -0.06 0.00 0.00 0.00 0.00 33.22 31.89 3n99 n MET 181 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3n99 s MET 182 N -2.10 4.08 0.00 0.03 -1.94 -0.58 0.92 119.30 119.71 3n99 s MET 182 Ca 0.34 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.84 3n99 s MET 182 Cb 0.21 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.78 3n99 s MET 182 CO 0.37 0.58 0.00 0.41 -0.01 0.00 0.00 175.02 176.37 3n99 n GLY 183 N 2.04 3.31 3.57 -0.03 0.00 0.10 -4.83 105.19 109.36 3n99 n GLY 183 Ca -0.12 -0.33 -0.54 0.00 0.00 0.00 0.00 46.02 45.03 3n99 n GLY 183 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3n99 n SER 184 N 0.00 1.17 0.00 1.61 2.88 -0.15 -2.14 113.62 116.98 3n99 n SER 184 Ca 0.00 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 3n99 n SER 184 Cb 0.00 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 3n99 n SER 184 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3n99 n GLY 185 N 2.26 2.90 3.62 0.46 0.00 -1.26 -0.92 105.19 112.24 3n99 n GLY 185 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 3n99 n GLY 185 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3n99 n ILE 186 N -1.08 1.46 -0.42 -0.61 5.41 -0.91 -1.56 119.36 121.65 3n99 n ILE 186 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.38 3n99 n ILE 186 Cb 0.00 -1.12 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 3n99 n ILE 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3n99 n GLY 187 N 1.60 1.29 3.58 7.39 0.00 0.57 -5.00 105.19 114.62 3n99 n GLY 187 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3n99 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n99 n ALA 188 N -0.23 -0.15 -0.07 4.61 0.00 -0.60 -4.73 120.51 119.34 3n99 n ALA 188 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3n99 n ALA 188 Cb 0.00 -2.04 0.24 0.00 0.00 0.00 0.00 19.45 17.65 3n99 n ALA 188 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3n99 h SER 189 N 0.44 0.64 -3.32 0.00 0.87 -1.93 -2.18 113.55 108.07 3n99 h SER 189 Ca -0.48 -0.11 -0.22 0.00 -1.23 0.00 0.00 61.79 59.75 3n99 h SER 189 Cb 1.37 -0.17 -0.31 0.00 -0.44 0.00 0.00 62.40 62.85 3n99 h SER 189 CO 0.50 0.66 -0.54 -0.55 -0.53 0.00 0.00 176.83 176.37 3n99 s SER 190 N -6.65 -0.08 0.11 6.23 0.15 -1.26 -3.51 113.70 108.69 3n99 s SER 190 Ca -0.09 0.43 0.10 0.00 0.70 0.00 0.00 55.95 57.09 3n99 s SER 190 Cb 0.16 0.34 0.48 0.00 -1.71 0.00 0.00 66.02 65.29 3n99 s SER 190 CO 0.78 -0.17 1.30 -1.54 1.20 0.00 0.00 173.24 174.81 3n99 n SER 191 N 4.40 0.20 0.09 5.45 3.41 -0.63 -1.66 113.62 124.89 3n99 n SER 191 Ca -0.23 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 3n99 n SER 191 Cb 0.52 -0.61 0.40 0.00 -0.26 0.00 0.00 64.21 64.26 3n99 n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n99 n ALA 192 N -1.60 2.36 -1.19 7.33 0.00 -1.26 -4.18 120.51 121.96 3n99 n ALA 192 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3n99 n ALA 192 Cb 0.05 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.13 3n99 n ALA 192 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3n99 n SER 193 N -2.17 1.45 -3.68 0.00 3.41 -0.67 -4.21 113.62 107.76 3n99 n SER 193 Ca 0.06 -2.48 -0.09 0.00 -0.26 0.00 0.00 58.87 56.10 3n99 n SER 193 Cb 0.42 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 3n99 n SER 193 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3n99 s THR 194 N -1.59 0.00 0.48 6.66 -1.32 -1.24 -4.62 115.64 114.01 3n99 s THR 194 Ca 0.16 -0.57 0.08 0.00 -1.21 0.00 0.00 61.69 60.15 3n99 s THR 194 Cb 0.14 -1.60 0.03 0.00 -1.51 0.00 0.00 72.50 69.57 3n99 s THR 194 CO 0.02 0.00 0.59 1.51 -2.21 0.00 0.00 174.62 174.52 3n99 s ASP 195 N -2.84 5.26 0.14 8.08 -4.77 -1.26 -4.69 116.67 116.59 3n99 s ASP 195 Ca 0.07 -0.70 -0.04 0.00 -3.30 0.00 0.00 52.55 48.58 3n99 s ASP 195 Cb -0.04 -0.23 -0.03 0.00 -1.09 0.00 0.00 42.92 41.54 3n99 s ASP 195 CO -0.01 -0.96 0.15 -0.72 0.70 0.00 0.00 175.17 174.33 3n99 s TYR 196 N -2.52 0.65 -0.16 2.11 1.13 -0.67 -4.69 117.35 113.21 3n99 s TYR 196 Ca 0.54 -1.03 -0.08 0.00 -1.41 0.00 0.00 57.07 55.09 3n99 s TYR 196 Cb -0.07 -0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.45 3n99 s TYR 196 CO 0.33 -0.60 0.13 -0.51 -2.51 0.00 0.00 175.55 172.39 3n99 s ASP 197 N -3.01 6.24 -0.44 -0.18 1.11 -0.10 0.01 116.67 120.30 3n99 s ASP 197 Ca 0.21 0.33 -0.29 0.00 0.18 0.00 0.00 52.55 52.98 3n99 s ASP 197 Cb 0.06 -2.06 0.03 0.00 1.07 0.00 0.00 42.92 42.02 3n99 s ASP 197 CO 0.01 0.29 1.11 -0.63 1.18 0.00 0.00 175.17 177.13 3n99 s ILE 198 N -0.32 4.28 -0.34 0.77 1.01 -0.16 0.02 121.20 126.46 3n99 s ILE 198 Ca 0.11 1.30 -0.03 0.00 0.00 0.00 0.00 60.65 62.03 3n99 s ILE 198 Cb -0.12 -4.56 0.06 0.00 0.01 0.00 0.00 42.46 37.86 3n99 s ILE 198 CO 0.01 -0.89 2.66 1.15 0.00 0.00 0.00 174.94 177.87 3n99 n MET 199 N 7.60 2.14 -3.48 2.79 0.00 0.26 -2.89 117.12 123.54 3n99 n MET 199 Ca 0.12 -1.88 -0.37 0.00 0.00 0.00 0.00 57.70 55.56 3n99 n MET 199 Cb 0.49 -1.95 -0.08 0.00 0.00 0.00 0.00 33.22 31.68 3n99 n MET 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3n99 s ALA 200 N -1.33 3.58 0.29 3.17 0.00 -1.26 -4.85 121.76 121.36 3n99 s ALA 200 Ca 0.51 -0.56 0.11 0.00 0.00 0.00 0.00 51.96 52.01 3n99 s ALA 200 Cb 0.33 -2.50 0.42 0.00 0.00 0.00 0.00 23.12 21.37 3n99 s ALA 200 CO -0.13 -0.15 1.65 0.77 0.00 0.00 0.00 175.76 177.91 3n99 h SER 201 N 7.16 0.00 -4.25 0.00 0.02 -1.90 -3.44 113.55 111.15 3n99 h SER 201 Ca -0.38 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.27 3n99 h SER 201 Cb 1.16 -0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.45 3n99 h SER 201 CO 0.72 0.57 -0.74 0.20 -1.14 0.00 0.00 176.83 176.44 3n99 s ASN 202 N -6.86 0.68 0.39 3.07 0.01 -1.26 -5.01 114.94 105.96 3n99 s ASN 202 Ca -0.02 -0.27 0.14 0.00 -0.71 0.00 0.00 52.86 52.00 3n99 s ASN 202 Cb 0.13 -0.02 0.99 0.00 0.41 0.00 0.00 41.25 42.76 3n99 s ASN 202 CO 0.76 -0.05 1.86 1.55 -1.51 0.00 0.00 177.10 179.70 3n99 h PRO 203 N 5.41 0.49 -0.00 -0.60 0.13 -1.87 -1.08 132.00 134.48 3n99 h PRO 203 Ca -0.31 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 3n99 h PRO 203 Cb 1.20 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3n99 h PRO 203 CO 0.46 0.32 -0.11 0.93 -0.23 0.00 0.00 178.00 179.38 3n99 h GLU 204 N 0.50 0.01 0.00 0.86 3.07 -1.79 0.19 114.58 117.42 3n99 h GLU 204 Ca 0.47 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3n99 h GLU 204 Cb 1.02 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3n99 h GLU 204 CO -0.20 0.11 0.05 -0.25 -1.40 0.00 0.00 179.01 177.33 3n99 n ASP 205 N -4.41 0.36 -0.46 1.42 8.00 -0.41 -0.91 116.55 120.14 3n99 n ASP 205 Ca -0.03 0.64 0.04 0.00 0.71 0.00 0.00 54.79 56.16 3n99 n ASP 205 Cb 0.18 -0.68 0.11 0.00 -0.02 0.00 0.00 41.12 40.71 3n99 n ASP 205 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3n99 n LEU 206 N -1.99 2.67 -0.95 0.64 4.77 0.67 -4.99 117.00 117.83 3n99 n LEU 206 Ca -0.01 -2.01 -0.09 0.00 -0.03 0.00 0.00 56.01 53.87 3n99 n LEU 206 Cb 0.07 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3n99 n LEU 206 CO 0.06 0.67 -0.11 0.61 -1.33 0.00 0.00 177.39 177.29 3n99 n GLY 207 N 0.22 0.23 3.20 -0.72 0.00 -0.09 -4.84 105.19 103.20 3n99 n GLY 207 Ca 0.08 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 3n99 n GLY 207 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3n99 s VAL 208 N -2.42 0.89 0.13 1.61 -7.23 -1.18 -5.02 120.40 107.17 3n99 s VAL 208 Ca 0.00 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 3n99 s VAL 208 Cb 0.00 -1.70 -0.13 0.00 0.56 0.00 0.00 36.38 35.11 3n99 s VAL 208 CO 0.00 -0.79 1.39 0.00 -0.31 0.00 0.00 175.10 175.39 3n99 h ALA 209 N 2.97 0.55 -2.61 1.32 0.00 -1.96 -2.84 119.26 116.69 3n99 h ALA 209 Ca -0.36 -0.76 -0.07 0.00 0.00 0.00 0.00 54.91 53.72 3n99 h ALA 209 Cb 1.18 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 3n99 h ALA 209 CO 0.63 1.05 -0.14 0.34 0.00 0.00 0.00 179.25 181.12 3n99 s ASP 210 N -6.71 -0.20 -0.05 0.00 2.15 -1.26 -4.75 116.67 105.85 3n99 s ASP 210 Ca 0.01 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.78 3n99 s ASP 210 Cb 0.10 0.42 0.02 0.00 -0.30 0.00 0.00 42.92 43.17 3n99 s ASP 210 CO 0.79 -0.73 -0.04 -0.22 -0.17 0.00 0.00 175.17 174.80 3n99 s LEU 211 N -2.38 1.20 0.03 -1.34 2.96 -1.26 -5.00 118.68 112.89 3n99 s LEU 211 Ca -0.01 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3n99 s LEU 211 Cb 0.01 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 3n99 s LEU 211 CO -0.07 -0.08 0.08 -0.54 -1.32 0.00 0.00 176.35 174.42 3n99 s LYS 212 N 1.15 2.99 0.12 1.98 1.02 -1.26 -0.31 119.74 125.43 3n99 s LYS 212 Ca -0.07 -0.57 -0.34 0.00 0.02 0.00 0.00 55.97 55.02 3n99 s LYS 212 Cb -0.14 -2.80 -0.13 0.00 -0.52 0.00 0.00 37.83 34.24 3n99 s LYS 212 CO -0.01 0.62 1.65 1.28 -0.92 0.00 0.00 175.35 177.97 3n99 n LEU 213 N 0.92 3.26 0.00 3.17 4.77 0.43 -1.26 117.00 128.29 3n99 n LEU 213 Ca -0.11 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 3n99 n LEU 213 Cb 0.52 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 3n99 n LEU 213 CO 0.40 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3n99 n GLY 214 N 3.66 0.44 3.77 -0.72 0.00 0.03 -0.10 105.19 112.27 3n99 n GLY 214 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3n99 n GLY 214 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n99 s ASP 215 N -2.42 6.31 -0.19 1.61 1.01 -0.39 -0.89 116.67 121.71 3n99 s ASP 215 Ca 0.00 2.33 -0.14 0.00 0.71 0.00 0.00 52.55 55.46 3n99 s ASP 215 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3n99 s ASP 215 CO 0.00 -0.82 0.29 -0.63 0.21 0.00 0.00 175.17 174.22 3n99 s ILE 216 N -1.49 5.29 0.14 0.77 1.01 -0.32 -0.88 121.20 125.72 3n99 s ILE 216 Ca 0.61 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.82 3n99 s ILE 216 Cb -0.30 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3n99 s ILE 216 CO 0.37 0.35 -0.10 0.68 0.00 0.00 0.00 174.94 176.23 3n99 s VAL 217 N 0.79 1.09 0.04 2.92 -7.23 0.10 -0.67 120.40 117.44 3n99 s VAL 217 Ca 0.15 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3n99 s VAL 217 Cb -0.13 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3n99 s VAL 217 CO 0.05 -0.74 0.10 0.00 -0.31 0.00 0.00 175.10 174.19 3n99 s ALA 218 N -3.28 3.64 -0.20 1.32 0.00 -0.48 -0.83 121.76 121.93 3n99 s ALA 218 Ca 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3n99 s ALA 218 Cb 0.02 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.61 3n99 s ALA 218 CO -0.00 0.74 -0.15 0.42 0.00 0.00 0.00 175.76 176.77 3n99 s ILE 219 N -1.32 2.37 0.12 0.00 1.01 0.10 -0.35 121.20 123.13 3n99 s ILE 219 Ca 0.27 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.68 3n99 s ILE 219 Cb -0.12 -2.09 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 3n99 s ILE 219 CO 0.19 0.41 0.84 -1.10 0.00 0.00 0.00 174.94 175.29 3n99 s GLN 220 N 1.30 4.61 -1.28 2.79 -0.21 0.39 -1.24 119.66 126.02 3n99 s GLN 220 Ca 0.03 1.24 0.00 0.00 0.02 0.00 0.00 55.36 56.65 3n99 s GLN 220 Cb -0.14 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.54 3n99 s GLN 220 CO -0.10 0.37 0.00 -0.25 -2.12 0.00 0.00 175.29 173.20 3n99 n ASP 221 N 2.30 -4.40 -4.16 5.90 8.00 -0.00 -2.37 116.55 121.82 3n99 n ASP 221 Ca -0.02 0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 3n99 n ASP 221 Cb 0.49 -3.43 -0.17 0.00 -0.02 0.00 0.00 41.12 37.99 3n99 n ASP 221 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3n99 s HIS 222 N -2.64 2.20 -0.16 1.24 3.76 -1.24 -0.57 115.29 117.88 3n99 s HIS 222 Ca 0.00 -0.87 -0.08 0.00 -0.15 0.00 0.00 55.06 53.96 3n99 s HIS 222 Cb 0.00 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 3n99 s HIS 222 CO 0.00 -0.36 0.13 0.34 -0.85 0.00 0.00 174.74 174.00 3n99 s ASP 223 N 0.40 6.27 -0.17 1.40 3.68 -0.26 -3.22 116.67 124.77 3n99 s ASP 223 Ca -0.17 0.33 0.17 0.00 2.13 0.00 0.00 52.55 55.02 3n99 s ASP 223 Cb -0.17 -2.07 0.45 0.00 -1.45 0.00 0.00 42.92 39.68 3n99 s ASP 223 CO 0.07 0.29 1.18 0.59 0.13 0.00 0.00 175.17 177.43 3n99 n ASN 224 N 2.80 2.06 -0.15 -0.34 3.02 -1.26 -1.97 115.26 119.42 3n99 n ASN 224 Ca -0.18 -2.98 -0.10 0.00 -0.03 0.00 0.00 54.58 51.29 3n99 n ASN 224 Cb 0.53 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.28 3n99 n ASN 224 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3n99 h SER 225 N 1.48 0.79 0.00 6.41 0.02 -1.94 -3.43 113.55 116.89 3n99 h SER 225 Ca -0.03 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3n99 h SER 225 Cb 1.42 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3n99 h SER 225 CO 0.20 0.93 0.00 -1.22 -1.14 0.00 0.00 176.83 175.60 3n99 n TYR 226 N -4.36 0.00 -0.99 3.45 4.01 -1.26 -4.91 117.16 113.11 3n99 n TYR 226 Ca -0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 3n99 n TYR 226 Cb 0.32 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.56 3n99 n TYR 226 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3n99 s GLY 227 N -0.72 1.55 -0.12 2.72 0.00 -1.23 -1.60 107.32 107.93 3n99 s GLY 227 Ca 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 44.72 44.18 3n99 s GLY 227 CO 0.00 0.31 0.48 0.14 0.00 0.00 0.00 173.10 174.03 3n99 s VAL 228 N -2.83 5.18 0.00 1.40 1.01 -0.82 -4.45 120.40 119.90 3n99 s VAL 228 Ca 0.67 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3n99 s VAL 228 Cb -0.20 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3n99 s VAL 228 CO 0.60 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.63 3n99 n GLY 229 N 3.25 0.82 3.62 4.51 0.00 -1.22 -0.32 105.19 115.85 3n99 n GLY 229 Ca -0.07 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3n99 n GLY 229 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n99 s LYS 230 N -3.37 3.65 0.07 1.61 2.47 -0.83 -4.80 119.74 118.54 3n99 s LYS 230 Ca 0.00 1.41 -0.31 0.00 -1.56 0.00 0.00 55.97 55.51 3n99 s LYS 230 Cb 0.00 -4.06 -0.08 0.00 -1.46 0.00 0.00 37.83 32.24 3n99 s LYS 230 CO 0.00 -1.47 1.61 -0.47 0.16 0.00 0.00 175.35 175.18 3n99 s TYR 231 N 5.56 2.53 -0.17 4.03 5.04 -1.26 -1.10 117.35 131.98 3n99 s TYR 231 Ca 0.70 0.41 -0.07 0.00 -2.44 0.00 0.00 57.07 55.67 3n99 s TYR 231 Cb -0.21 -3.92 0.07 0.00 0.35 0.00 0.00 41.96 38.25 3n99 s TYR 231 CO 0.30 -3.63 0.37 0.50 -1.34 0.00 0.00 175.55 171.75 3n99 s ARG 232 N 2.50 0.30 0.02 4.97 3.52 0.26 -4.92 118.95 125.59 3n99 s ARG 232 Ca 0.72 0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 56.88 3n99 s ARG 232 Cb -0.39 0.11 -0.08 0.00 -1.56 0.00 0.00 34.95 33.03 3n99 s ARG 232 CO 0.31 -0.22 1.82 0.21 -0.81 0.00 0.00 175.30 176.61 3n99 s LYS 233 N 2.06 4.16 0.00 5.12 2.47 -1.26 -1.69 119.74 130.60 3n99 s LYS 233 Ca -0.04 2.44 0.00 0.00 -1.56 0.00 0.00 55.97 56.81 3n99 s LYS 233 Cb -0.11 -3.99 0.00 0.00 -1.46 0.00 0.00 37.83 32.27 3n99 s LYS 233 CO -0.12 -0.89 0.00 0.41 0.16 0.00 0.00 175.35 174.92 3n99 n GLY 234 N 4.32 0.50 3.78 5.54 0.00 -1.26 -5.04 105.19 113.03 3n99 n GLY 234 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3n99 n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n99 s ALA 235 N -2.15 2.45 -0.00 4.61 0.00 -0.68 -0.03 121.76 125.96 3n99 s ALA 235 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 3n99 s ALA 235 Cb 0.00 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 3n99 s ALA 235 CO 0.00 -1.38 0.05 0.54 0.00 0.00 0.00 175.76 174.97 3n99 s VAL 236 N -2.64 0.06 0.19 0.00 0.11 0.01 -0.82 120.40 117.31 3n99 s VAL 236 Ca 0.63 -0.48 0.09 0.00 -2.93 0.00 0.00 61.98 59.29 3n99 s VAL 236 Cb -0.18 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 3n99 s VAL 236 CO 0.48 -0.26 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.36 3n99 s SER 237 N -0.82 2.81 -0.03 3.54 0.01 -0.37 -1.82 113.70 117.02 3n99 s SER 237 Ca -0.09 -0.91 0.07 0.00 1.31 0.00 0.00 55.95 56.33 3n99 s SER 237 Cb -0.05 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 3n99 s SER 237 CO 0.00 -0.04 -0.25 -0.63 0.41 0.00 0.00 173.24 172.73 3n99 s ILE 238 N -2.25 2.00 0.32 1.44 -1.09 -0.20 0.01 121.20 121.44 3n99 s ILE 238 Ca 0.19 -1.07 -0.07 0.00 -2.23 0.00 0.00 60.65 57.47 3n99 s ILE 238 Cb -0.05 -1.67 0.01 0.00 -1.58 0.00 0.00 42.46 39.17 3n99 s ILE 238 CO 0.08 0.56 0.52 -0.83 -1.23 0.00 0.00 174.94 174.04 3n99 s GLY 239 N -0.46 1.06 -0.06 6.18 0.00 -0.01 -0.88 107.32 113.16 3n99 s GLY 239 Ca 0.06 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.59 3n99 s GLY 239 CO 0.00 -0.80 -0.19 0.14 0.00 0.00 0.00 173.10 172.26 3n99 s VAL 240 N -3.19 2.62 -0.10 1.40 1.01 0.27 -0.72 120.40 121.70 3n99 s VAL 240 Ca 0.26 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 3n99 s VAL 240 Cb -0.01 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3n99 s VAL 240 CO 0.16 0.57 0.93 -0.69 0.00 0.00 0.00 175.10 176.08 3n99 s VAL 241 N -0.35 4.84 -0.00 2.92 1.01 -0.06 -0.88 120.40 127.88 3n99 s VAL 241 Ca 0.03 1.90 0.01 0.00 0.00 0.00 0.00 61.98 63.92 3n99 s VAL 241 Cb -0.12 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 3n99 s VAL 241 CO 0.02 0.05 0.03 1.33 0.00 0.00 0.00 175.10 176.53 3n99 n VAL 242 N 4.44 0.01 -4.08 2.92 0.24 0.63 -0.79 118.33 121.69 3n99 n VAL 242 Ca 0.06 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.23 3n99 n VAL 242 Cb 0.49 0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 3n99 n VAL 242 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3n99 s HIS 243 N -2.08 0.72 0.93 6.34 -3.43 -1.25 -4.52 115.29 111.99 3n99 s HIS 243 Ca -0.00 -1.01 -0.14 0.00 -0.80 0.00 0.00 55.06 53.10 3n99 s HIS 243 Cb 0.01 -0.12 0.16 0.00 -1.43 0.00 0.00 32.58 31.19 3n99 s HIS 243 CO 0.05 -0.86 1.18 -1.54 -2.00 0.00 0.00 174.74 171.57 3n99 s SER 244 N -3.09 3.34 1.10 7.38 1.04 -0.38 -3.19 113.70 119.89 3n99 s SER 244 Ca 0.29 0.75 -0.12 0.00 0.48 0.00 0.00 55.95 57.35 3n99 s SER 244 Cb 0.02 -1.16 0.25 0.00 0.10 0.00 0.00 66.02 65.23 3n99 s SER 244 CO 0.11 -2.64 1.06 0.00 0.98 0.00 0.00 173.24 172.75 3n99 s ALA 245 N -3.43 0.05 0.05 5.32 0.00 0.82 -3.71 121.76 120.86 3n99 s ALA 245 Ca 0.66 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.72 3n99 s ALA 245 Cb -0.11 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3n99 s ALA 245 CO 0.53 -3.56 -0.06 0.00 0.00 0.00 0.00 175.76 172.67 3n99 n VAL 247 N 1.01 0.21 -3.28 0.00 0.24 -1.26 -4.68 118.33 110.57 3n99 n VAL 247 Ca -0.20 -0.38 -0.31 0.00 -2.04 0.00 0.00 64.34 61.41 3n99 n VAL 247 Cb 0.57 0.07 -0.05 0.00 -1.47 0.00 0.00 33.84 32.96 3n99 n VAL 247 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3n99 s SER 248 N -4.38 6.60 0.19 -1.34 0.01 -1.25 -1.99 113.70 111.53 3n99 s SER 248 Ca -0.01 0.97 -0.33 0.00 1.31 0.00 0.00 55.95 57.89 3n99 s SER 248 Cb 0.13 -2.25 -0.13 0.00 0.21 0.00 0.00 66.02 63.98 3n99 s SER 248 CO 0.84 -0.16 1.59 0.00 0.41 0.00 0.00 173.24 175.92 3n99 n ALA 249 N -0.47 1.75 -0.56 1.44 0.00 -1.26 -1.99 120.51 119.41 3n99 n ALA 249 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3n99 n ALA 249 Cb 0.53 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3n99 n ALA 249 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n99 n GLY 250 N 3.33 0.98 3.61 0.00 0.00 -1.26 -4.99 105.19 106.85 3n99 n GLY 250 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3n99 n GLY 250 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n99 s HIS 251 N -3.21 2.53 -1.54 1.61 0.09 -0.84 -0.98 115.29 112.95 3n99 s HIS 251 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 55.06 54.69 3n99 s HIS 251 Cb 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 32.58 31.24 3n99 s HIS 251 CO 0.00 0.55 0.00 0.41 -0.00 0.00 0.00 174.74 175.70 3n99 n GLY 252 N -0.88 -1.26 3.66 -2.22 0.00 -1.24 -4.47 105.19 98.77 3n99 n GLY 252 Ca -0.05 -0.93 -0.47 0.00 0.00 0.00 0.00 46.02 44.58 3n99 n GLY 252 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n99 n PRO 253 N 0.00 2.03 -2.66 1.61 -0.02 -1.14 -4.39 135.00 130.43 3n99 n PRO 253 Ca 0.00 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 3n99 n PRO 253 Cb 0.00 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 30.94 3n99 n PRO 253 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3n99 s GLY 254 N 0.95 2.23 -0.05 -1.23 0.00 -1.19 -0.99 107.32 107.04 3n99 s GLY 254 Ca 0.80 0.27 0.02 0.00 0.00 0.00 0.00 44.72 45.81 3n99 s GLY 254 CO 0.39 0.54 -0.11 0.14 0.00 0.00 0.00 173.10 174.06 3n99 s VAL 255 N -2.37 1.00 -0.24 1.40 1.01 0.10 -0.27 120.40 121.03 3n99 s VAL 255 Ca 0.60 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3n99 s VAL 255 Cb -0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3n99 s VAL 255 CO 0.22 0.32 0.14 -0.69 0.00 0.00 0.00 175.10 175.09 3n99 s VAL 256 N 0.57 5.11 0.23 2.92 1.01 -0.06 -1.67 120.40 128.51 3n99 s VAL 256 Ca -0.11 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 3n99 s VAL 256 Cb -0.14 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 3n99 s VAL 256 CO 0.02 0.34 1.09 -0.69 0.00 0.00 0.00 175.10 175.86 3n99 s VAL 257 N 1.23 3.69 0.00 2.92 1.01 -1.26 -0.56 120.40 127.42 3n99 s VAL 257 Ca 0.07 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.63 3n99 s VAL 257 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3n99 s VAL 257 CO 0.05 0.33 0.00 2.30 0.00 0.00 0.00 175.10 177.78 3n99 n ILE 258 N 1.77 0.00 -3.62 2.22 -5.35 -0.06 -4.49 119.36 109.83 3n99 n ILE 258 Ca 0.01 -0.48 -0.15 0.00 -0.27 0.00 0.00 62.75 61.86 3n99 n ILE 258 Cb 0.45 1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 3n99 n ILE 258 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 3n99 s MET 259 N -0.97 0.85 -0.04 6.28 0.00 -1.05 -1.94 119.30 122.44 3n99 s MET 259 Ca 0.00 0.82 -0.24 0.00 0.00 0.00 0.00 55.69 56.27 3n99 s MET 259 Cb 0.00 0.41 0.05 0.00 0.00 0.00 0.00 34.83 35.29 3n99 s MET 259 CO 0.00 -0.14 0.52 -0.08 0.00 0.00 0.00 175.02 175.32 3n99 s THR 260 N 0.06 0.02 -3.80 10.11 -1.32 -0.37 -1.03 115.64 119.32 3n99 s THR 260 Ca -0.02 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 3n99 s THR 260 Cb -0.04 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 3n99 s THR 260 CO 0.03 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 3n99 n GLY 261 N 1.08 -0.55 3.88 6.08 0.00 -0.75 -1.46 105.19 113.46 3n99 n GLY 261 Ca -0.20 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 3n99 n GLY 261 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n99 s ASP 262 N -4.00 6.60 0.60 1.61 2.15 -1.26 -0.81 116.67 121.56 3n99 s ASP 262 Ca 0.00 0.76 0.30 0.00 0.43 0.00 0.00 52.55 54.03 3n99 s ASP 262 Cb 0.00 -2.16 1.67 0.00 -0.30 0.00 0.00 42.92 42.13 3n99 s ASP 262 CO 0.00 0.12 2.07 1.05 -0.17 0.00 0.00 175.17 178.24 3n99 h GLU 263 N 3.38 0.00 0.00 4.34 4.11 -0.68 -0.14 114.58 125.58 3n99 h GLU 263 Ca -0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.95 3n99 h GLU 263 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3n99 h GLU 263 CO 0.68 0.00 -0.01 0.66 0.07 0.00 0.00 179.01 180.41 3n99 h SER 264 N 0.00 0.00 0.00 3.06 4.64 -1.94 -3.34 113.55 115.97 3n99 h SER 264 Ca 0.09 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 3n99 h SER 264 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3n99 h SER 264 CO -0.00 0.01 -1.47 0.29 -0.87 0.00 0.00 176.83 174.79 3n99 n LYS 265 N -3.12 1.52 -3.83 4.77 4.76 -0.20 -4.87 118.16 117.18 3n99 n LYS 265 Ca -0.01 0.02 -0.36 0.00 -2.87 0.00 0.00 58.31 55.09 3n99 n LYS 265 Cb 0.21 -1.17 -0.12 0.00 -1.84 0.00 0.00 35.03 32.12 3n99 n LYS 265 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3n99 s ILE 266 N -2.16 4.50 -0.43 -0.18 1.01 -0.39 0.06 121.20 123.60 3n99 s ILE 266 Ca -0.07 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.50 3n99 s ILE 266 Cb 0.02 -3.08 0.12 0.00 0.01 0.00 0.00 42.46 39.53 3n99 s ILE 266 CO 0.23 0.36 0.16 -0.76 0.00 0.00 0.00 174.94 174.94 3n99 s LEU 267 N 1.29 4.33 0.32 2.97 1.02 0.10 -4.52 118.68 124.19 3n99 s LEU 267 Ca 0.05 -2.57 -0.29 0.00 0.02 0.00 0.00 54.13 51.35 3n99 s LEU 267 Cb -0.15 -1.57 -0.10 0.00 0.02 0.00 0.00 46.19 44.39 3n99 s LEU 267 CO 0.04 -0.31 1.27 -2.84 0.02 0.00 0.00 176.35 174.53 3n99 s PRO 268 N 0.34 4.41 -0.23 1.29 0.02 -1.26 -1.05 135.00 138.52 3n99 s PRO 268 Ca 0.14 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.32 3n99 s PRO 268 Cb -0.23 -3.09 0.05 0.00 0.02 0.00 0.00 34.50 31.25 3n99 s PRO 268 CO -0.05 -0.12 -0.09 -1.21 -0.33 0.00 0.00 177.00 175.20 3n99 s GLU 269 N -1.70 2.00 -0.03 5.54 0.41 0.38 -4.84 118.70 120.46 3n99 s GLU 269 Ca 0.48 -1.04 -0.30 0.00 -0.41 0.00 0.00 54.97 53.70 3n99 s GLU 269 Cb -0.38 -2.62 -0.05 0.00 -1.78 0.00 0.00 34.13 29.30 3n99 s GLU 269 CO 0.51 -0.52 1.37 -2.00 -0.49 0.00 0.00 175.26 174.13 3n99 s GLU 270 N 1.30 4.28 0.23 1.61 2.12 -1.26 -1.15 118.70 125.83 3n99 s GLU 270 Ca -0.05 1.90 0.03 0.00 0.36 0.00 0.00 54.97 57.21 3n99 s GLU 270 Cb -0.18 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 3n99 s GLU 270 CO -0.07 -0.59 0.02 0.14 -0.54 0.00 0.00 175.26 174.22 3n99 s VAL 271 N 2.60 0.88 0.17 3.70 -7.23 0.16 -4.90 120.40 115.78 3n99 s VAL 271 Ca 0.62 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 3n99 s VAL 271 Cb -0.29 -2.37 -0.11 0.00 0.56 0.00 0.00 36.38 34.16 3n99 s VAL 271 CO 0.25 -0.28 1.42 -0.33 -0.31 0.00 0.00 175.10 175.84 3n99 h GLU 272 N 2.49 0.41 -3.58 4.82 5.08 -1.93 -3.39 114.58 118.48 3n99 h GLU 272 Ca -0.38 -0.35 -0.26 0.00 -1.00 0.00 0.00 59.36 57.37 3n99 h GLU 272 Cb 1.22 0.08 -0.31 0.00 0.50 0.00 0.00 28.75 30.24 3n99 h GLU 272 CO 0.64 0.99 -0.70 0.50 -1.00 0.00 0.00 179.01 179.44 3n99 s ARG 273 N -3.59 0.00 -0.42 2.33 3.52 -1.26 -4.96 118.95 114.58 3n99 s ARG 273 Ca -0.06 0.12 0.08 0.00 -0.13 0.00 0.00 55.73 55.74 3n99 s ARG 273 Cb 0.10 -0.11 0.18 0.00 -1.56 0.00 0.00 34.95 33.56 3n99 s ARG 273 CO 0.84 -0.08 0.63 0.00 -0.81 0.00 0.00 175.30 175.88 3n99 s ALA 274 N 0.54 -2.33 -0.03 6.12 0.00 -1.26 -4.94 121.76 119.85 3n99 s ALA 274 Ca -0.04 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 3n99 s ALA 274 Cb -0.06 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.36 3n99 s ALA 274 CO -0.02 -2.22 0.04 1.21 0.00 0.00 0.00 175.76 174.77 3n99 s ASN 275 N 1.79 0.67 0.66 0.00 3.84 -1.26 -1.17 114.94 119.47 3n99 s ASN 275 Ca 0.17 0.04 0.39 0.00 0.21 0.00 0.00 52.86 53.67 3n99 s ASN 275 Cb -0.04 -0.14 2.15 0.00 -0.55 0.00 0.00 41.25 42.66 3n99 s ASN 275 CO -0.07 -0.18 2.24 0.16 -2.79 0.00 0.00 177.10 176.46 3n99 h ILE 276 N 6.35 0.08 0.00 -5.21 3.07 -1.36 -1.75 117.51 118.68 3n99 h ILE 276 Ca -0.29 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.11 3n99 h ILE 276 Cb 1.12 0.91 -0.00 0.00 -0.27 0.00 0.00 36.82 38.58 3n99 h ILE 276 CO 0.32 0.00 -0.03 0.77 -1.05 0.00 0.00 178.15 178.16 3n99 h SER 277 N 0.00 0.00 0.40 2.16 4.64 -1.91 -1.72 113.55 117.13 3n99 h SER 277 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3n99 h SER 277 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3n99 h SER 277 CO -0.00 0.03 -0.04 0.44 -0.87 0.00 0.00 176.83 176.40 3n99 h ASP 278 N 0.00 0.00 -0.26 4.97 3.32 -1.72 -2.49 116.42 120.24 3n99 h ASP 278 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n99 h ASP 278 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3n99 h ASP 278 CO 0.00 0.04 0.00 -1.22 -1.72 0.00 0.00 179.24 176.34 3n99 n TYR 279 N -3.28 0.34 0.10 4.55 4.01 -0.65 -4.73 117.16 117.50 3n99 n TYR 279 Ca -0.02 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 3n99 n TYR 279 Cb 0.19 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3n99 n TYR 279 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3n99 n LEU 280 N 0.43 0.26 0.00 7.72 4.77 -1.19 -5.05 117.00 123.93 3n99 n LEU 280 Ca 0.10 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 3n99 n LEU 280 Cb 0.38 0.12 0.68 0.00 -2.33 0.00 0.00 43.42 42.27 3n99 n LEU 280 CO 0.07 -0.72 0.86 0.52 -1.33 0.00 0.00 177.39 176.79