#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n99 s HIS 0 N 0.00 1.47 0.45 1.61 4.02 -1.26 -5.02 115.29 116.56 3n99 s HIS 0 Ca 0.00 -0.72 -0.25 0.00 1.02 0.00 0.00 55.06 55.11 3n99 s HIS 0 Cb 0.00 -0.74 -0.08 0.00 -1.02 0.00 0.00 32.58 30.74 3n99 s HIS 0 CO 0.00 0.17 1.45 -1.64 1.02 0.00 0.00 174.74 175.73 3n99 s MET 1 N -3.73 3.70 0.07 1.40 -1.94 -1.26 -4.92 119.30 112.62 3n99 s MET 1 Ca 0.20 2.46 -0.31 0.00 -1.71 0.00 0.00 55.69 56.34 3n99 s MET 1 Cb 0.02 -2.68 -0.08 0.00 2.01 0.00 0.00 34.83 34.10 3n99 s MET 1 CO 0.04 -0.82 1.60 1.03 -0.01 0.00 0.00 175.02 176.85 3n99 s ARG 2 N -2.43 4.22 0.21 2.03 0.52 -1.26 -5.00 118.95 117.24 3n99 s ARG 2 Ca 0.60 2.26 0.03 0.00 -0.52 0.00 0.00 55.73 58.11 3n99 s ARG 2 Cb -0.45 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.43 3n99 s ARG 2 CO 0.58 -0.69 0.01 0.95 0.02 0.00 0.00 175.30 176.17 3n99 s THR 3 N 2.43 0.88 -0.18 0.02 -4.23 -1.26 -0.95 115.64 112.34 3n99 s THR 3 Ca 0.72 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 3n99 s THR 3 Cb -0.39 -2.30 0.26 0.00 1.34 0.00 0.00 72.50 71.42 3n99 s THR 3 CO 0.31 -0.34 1.34 -0.46 -0.54 0.00 0.00 174.62 174.93 3n99 n ASN 4 N -0.36 3.28 0.28 3.99 6.94 -1.09 -4.69 115.26 123.60 3n99 n ASN 4 Ca -0.05 -2.61 0.15 0.00 -0.02 0.00 0.00 54.58 52.04 3n99 n ASN 4 Cb 0.64 -0.63 0.82 0.00 -2.36 0.00 0.00 39.78 38.25 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 0.40 0.00 0.00 -3.83 2.10 -1.96 -0.94 116.57 112.35 3n99 h LYS 5 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3n99 h LYS 5 Cb 1.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.04 3n99 h LYS 5 CO 0.42 0.07 0.00 -0.44 -2.00 0.00 0.00 179.45 177.50 3n99 h ASP 6 N 0.00 0.00 0.16 7.07 3.32 -2.02 -2.94 116.42 122.00 3n99 h ASP 6 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n99 h ASP 6 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3n99 h ASP 6 CO 0.01 0.00 -0.30 0.54 -1.72 0.00 0.00 179.24 177.77 3n99 n ARG 7 N -2.37 0.98 -2.39 3.56 1.74 -0.36 -4.95 116.66 112.87 3n99 n ARG 7 Ca 0.03 -0.66 -0.37 0.00 -0.77 0.00 0.00 57.85 56.08 3n99 n ARG 7 Cb 0.30 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.47 4.09 -0.13 0.55 1.43 -1.11 -5.01 118.68 116.04 3n99 s LEU 8 Ca 0.23 2.19 -0.14 0.00 -1.03 0.00 0.00 54.13 55.39 3n99 s LEU 8 Cb 0.19 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 3n99 s LEU 8 CO 0.52 -0.69 0.31 -0.69 0.23 0.00 0.00 176.35 176.03 3n99 s VAL 9 N -1.58 5.27 -0.17 -1.59 1.01 -1.26 -5.05 120.40 117.03 3n99 s VAL 9 Ca 0.60 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 3n99 s VAL 9 Cb -0.26 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3n99 s VAL 9 CO 0.32 0.43 -0.02 -0.60 0.00 0.00 0.00 175.10 175.23 3n99 s ARG 10 N 0.11 3.67 -0.07 2.72 3.52 -1.26 -4.61 118.95 123.02 3n99 s ARG 10 Ca 0.18 -0.51 -0.12 0.00 -0.13 0.00 0.00 55.73 55.15 3n99 s ARG 10 Cb -0.14 -2.97 0.03 0.00 -1.56 0.00 0.00 34.95 30.31 3n99 s ARG 10 CO 0.06 0.18 0.30 -1.50 -0.81 0.00 0.00 175.30 173.53 3n99 s ILE 11 N 0.53 0.03 -0.16 4.11 2.07 -0.69 -4.97 121.20 122.11 3n99 s ILE 11 Ca -0.02 -0.21 -0.29 0.00 -1.41 0.00 0.00 60.65 58.71 3n99 s ILE 11 Cb -0.14 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 41.91 3n99 s ILE 11 CO 0.02 -0.12 1.50 -0.94 -1.91 0.00 0.00 174.94 173.50 3n99 s SER 12 N -0.46 6.67 -0.16 4.50 1.04 -1.26 -1.30 113.70 122.73 3n99 s SER 12 Ca -0.06 1.81 -0.01 0.00 0.48 0.00 0.00 55.95 58.18 3n99 s SER 12 Cb -0.04 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 3n99 s SER 12 CO 0.02 -0.99 -0.13 -0.69 0.98 0.00 0.00 173.24 172.43 3n99 s VAL 13 N 4.25 2.90 0.04 5.02 1.01 -0.25 -4.95 120.40 128.42 3n99 s VAL 13 Ca 0.66 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.99 3n99 s VAL 13 Cb -0.26 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3n99 s VAL 13 CO 0.24 0.50 -0.05 0.54 0.00 0.00 0.00 175.10 176.34 3n99 s VAL 14 N 0.78 3.75 0.00 2.92 0.11 -1.26 -0.28 120.40 126.41 3n99 s VAL 14 Ca -0.05 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 3n99 s VAL 14 Cb -0.15 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 3n99 s VAL 14 CO 0.01 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 3n99 n GLY 15 N 1.14 2.93 3.04 6.54 0.00 -0.37 -4.67 105.19 113.79 3n99 n GLY 15 Ca -0.14 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.33 0.47 0.11 1.61 -1.05 0.10 -0.42 118.70 119.19 3n99 s GLU 16 Ca 0.00 -0.91 -0.31 0.00 -0.15 0.00 0.00 54.97 53.60 3n99 s GLU 16 Cb 0.00 0.17 -0.10 0.00 -0.44 0.00 0.00 34.13 33.76 3n99 s GLU 16 CO 0.00 -0.09 1.76 0.42 0.95 0.00 0.00 175.26 178.30 3n99 s ILE 17 N -2.72 2.69 0.43 1.83 1.01 -0.36 -0.33 121.20 123.75 3n99 s ILE 17 Ca -0.04 0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.60 3n99 s ILE 17 Cb -0.01 -3.13 -0.11 0.00 0.01 0.00 0.00 42.46 39.23 3n99 s ILE 17 CO -0.06 0.00 0.96 0.00 0.00 0.00 0.00 174.94 175.85 3n99 s ALA 18 N 2.61 3.02 0.76 9.38 0.00 0.16 -1.31 121.76 136.37 3n99 s ALA 18 Ca 0.78 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 3n99 s ALA 18 Cb -0.44 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.56 3n99 s ALA 18 CO 0.35 0.06 1.08 -1.25 0.00 0.00 0.00 175.76 175.99 3n99 s PRO 19 N -3.14 2.43 0.28 0.00 0.04 -1.26 -1.68 135.00 131.67 3n99 s PRO 19 Ca 0.62 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 3n99 s PRO 19 Cb -0.11 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 3n99 s PRO 19 CO 0.15 -1.46 1.35 0.00 0.04 0.00 0.00 177.00 177.08 3n99 n ALA 20 N -3.37 1.12 -2.47 8.56 0.00 -1.26 -2.62 120.51 120.47 3n99 n ALA 20 Ca 0.08 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.66 3n99 n ALA 20 Cb 0.54 -2.26 -0.15 0.00 0.00 0.00 0.00 19.45 17.58 3n99 n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3n99 s LYS 21 N -0.97 1.49 -0.17 0.00 1.02 -0.76 -4.87 119.74 115.48 3n99 s LYS 21 Ca 0.63 -0.68 -0.08 0.00 0.02 0.00 0.00 55.97 55.86 3n99 s LYS 21 Cb -0.62 -1.45 0.07 0.00 -0.52 0.00 0.00 37.83 35.30 3n99 s LYS 21 CO 0.54 0.40 0.40 -1.64 -0.92 0.00 0.00 175.35 174.13 3n99 s MET 22 N -0.49 0.36 0.10 1.68 -1.94 -1.26 -3.71 119.30 114.03 3n99 s MET 22 Ca 0.07 0.84 0.24 0.00 -1.71 0.00 0.00 55.69 55.13 3n99 s MET 22 Cb -0.07 0.06 0.39 0.00 2.01 0.00 0.00 34.83 37.22 3n99 s MET 22 CO -0.01 -0.19 1.35 0.54 -0.01 0.00 0.00 175.02 176.71 3n99 n ARG 23 N 4.59 0.24 -3.80 2.03 1.74 -1.26 -4.88 116.66 115.32 3n99 n ARG 23 Ca -0.19 0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.85 3n99 n ARG 23 Cb 0.53 -1.65 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 3n99 n ARG 23 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3n99 s SER 24 N -3.99 -0.03 0.49 0.55 0.15 -1.26 -5.01 113.70 104.61 3n99 s SER 24 Ca 0.07 -0.36 0.22 0.00 0.70 0.00 0.00 55.95 56.58 3n99 s SER 24 Cb 0.14 0.34 1.28 0.00 -1.71 0.00 0.00 66.02 66.07 3n99 s SER 24 CO 0.71 -0.64 2.05 1.55 1.20 0.00 0.00 173.24 178.11 3n99 h PRO 25 N 3.12 0.00 -5.75 5.44 0.13 -1.96 -3.44 132.00 129.54 3n99 h PRO 25 Ca -0.33 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.16 3n99 h PRO 25 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 3n99 h PRO 25 CO 0.49 0.14 -0.39 0.71 -0.23 0.00 0.00 178.00 178.72 3n99 s TYR 26 N -4.41 3.64 -0.17 1.56 2.02 -1.26 -4.28 117.35 114.45 3n99 s TYR 26 Ca -0.03 0.68 -0.06 0.00 -0.37 0.00 0.00 57.07 57.28 3n99 s TYR 26 Cb 0.14 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3n99 s TYR 26 CO 0.63 0.69 0.04 -1.12 -1.57 0.00 0.00 175.55 174.23 3n99 s SER 27 N -1.00 5.47 -0.19 2.29 0.01 0.12 -4.93 113.70 115.47 3n99 s SER 27 Ca 0.18 0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.35 3n99 s SER 27 Cb -0.13 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 3n99 s SER 27 CO 0.07 0.20 0.35 -0.69 0.41 0.00 0.00 173.24 173.58 3n99 s VAL 28 N 0.21 5.24 0.70 3.43 1.01 -1.26 -1.27 120.40 128.45 3n99 s VAL 28 Ca 0.03 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 3n99 s VAL 28 Cb -0.13 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.64 3n99 s VAL 28 CO 0.01 0.30 0.99 0.42 0.00 0.00 0.00 175.10 176.82 3n99 s THR 29 N 1.04 2.30 -0.02 3.92 -4.23 0.51 -3.63 115.64 115.53 3n99 s THR 29 Ca 0.18 -0.36 0.32 0.00 -1.18 0.00 0.00 61.69 60.64 3n99 s THR 29 Cb -0.14 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 71.12 3n99 s THR 29 CO 0.07 0.00 1.93 0.71 -0.54 0.00 0.00 174.62 176.79 3n99 h THR 30 N -0.56 0.00 -0.06 3.99 1.35 -1.72 -2.25 112.91 113.66 3n99 h THR 30 Ca -0.43 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3n99 h THR 30 Cb 1.30 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3n99 h THR 30 CO 0.54 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.19 3n99 n GLU 31 N -2.91 1.38 -2.05 4.72 4.71 -1.26 -4.92 120.64 120.31 3n99 n GLU 31 Ca 0.01 -0.56 -0.07 0.00 -0.01 0.00 0.00 57.16 56.52 3n99 n GLU 31 Cb 0.29 -1.39 -0.01 0.00 -1.01 0.00 0.00 31.44 29.32 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 1.01 0.15 3.79 0.62 0.00 -0.84 -5.06 105.19 104.86 3n99 n GLY 32 Ca 0.17 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.36 1.98 0.06 2.61 -4.23 -1.26 -4.90 115.64 107.53 3n99 s THR 33 Ca 0.00 -1.67 0.09 0.00 -1.18 0.00 0.00 61.69 58.93 3n99 s THR 33 Cb 0.00 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 3n99 s THR 33 CO 0.00 0.00 -0.24 0.68 -0.54 0.00 0.00 174.62 174.52 3n99 s VAL 34 N -2.68 2.33 0.00 2.29 -7.23 -1.26 -0.36 120.40 113.49 3n99 s VAL 34 Ca 0.34 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 3n99 s VAL 34 Cb 0.02 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 3n99 s VAL 34 CO 0.20 0.32 -0.07 -0.13 -0.31 0.00 0.00 175.10 175.10 3n99 s ARG 35 N -1.40 0.57 -0.50 4.82 0.52 -0.40 -4.95 118.95 117.61 3n99 s ARG 35 Ca 0.13 -0.33 -0.16 0.00 -0.52 0.00 0.00 55.73 54.85 3n99 s ARG 35 Cb -0.10 -0.53 0.09 0.00 0.52 0.00 0.00 34.95 34.93 3n99 s ARG 35 CO 0.03 0.14 0.44 0.08 0.02 0.00 0.00 175.30 176.02 3n99 s VAL 36 N -0.33 5.20 0.04 3.52 1.01 -1.26 0.13 120.40 128.71 3n99 s VAL 36 Ca 0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 3n99 s VAL 36 Cb -0.04 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3n99 s VAL 36 CO -0.00 -0.69 0.05 0.27 0.00 0.00 0.00 175.10 174.73 3n99 s ILE 37 N 1.70 0.15 0.73 2.22 -4.36 -1.26 -5.04 121.20 115.34 3n99 s ILE 37 Ca 0.04 -1.27 -0.15 0.00 -0.26 0.00 0.00 60.65 59.01 3n99 s ILE 37 Cb -0.26 -1.00 0.04 0.00 1.25 0.00 0.00 42.46 42.49 3n99 s ILE 37 CO 0.06 -0.70 1.23 -2.84 0.24 0.00 0.00 174.94 172.92 3n99 s PRO 38 N -2.89 2.12 0.00 0.37 0.02 -1.26 -4.79 135.00 128.58 3n99 s PRO 38 Ca -0.03 1.84 0.00 0.00 0.02 0.00 0.00 61.00 62.83 3n99 s PRO 38 Cb 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.70 3n99 s PRO 38 CO -0.06 -1.87 0.00 0.28 -0.33 0.00 0.00 177.00 175.02 3n99 n VAL 39 N -2.64 0.00 -3.38 3.83 0.31 -1.26 -1.37 118.33 113.81 3n99 n VAL 39 Ca 0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.24 3n99 n VAL 39 Cb 0.50 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.47 3n99 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3n99 n LEU 40 N 0.00 0.00 0.00 7.52 -0.00 -1.24 -4.40 117.00 118.87 3n99 n LEU 40 Ca 0.00 -2.72 0.00 0.00 -0.00 0.00 0.00 56.01 53.29 3n99 n LEU 40 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 3n99 n LEU 40 CO 0.00 -0.67 0.00 0.61 -0.00 0.00 0.00 177.39 177.33 3n99 n GLY 41 N -2.08 -2.95 0.25 1.47 0.00 -1.26 -1.83 105.19 98.80 3n99 n GLY 41 Ca 0.09 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.46 -1.59 3.60 -0.02 0.00 -0.68 -4.54 105.19 101.49 3n99 n GLY 42 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.53 4.63 -0.37 -0.61 1.01 -1.26 -1.16 121.20 121.91 3n99 s ILE 43 Ca 0.00 1.15 -0.16 0.00 0.00 0.00 0.00 60.65 61.65 3n99 s ILE 43 Cb 0.00 -4.29 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 3n99 s ILE 43 CO 0.00 -0.48 0.38 -0.89 0.00 0.00 0.00 174.94 173.95 3n99 s THR 44 N 3.35 5.15 -0.19 2.92 2.01 -0.41 -4.97 115.64 123.50 3n99 s THR 44 Ca 0.36 -0.11 0.19 0.00 0.31 0.00 0.00 61.69 62.44 3n99 s THR 44 Cb -0.12 -3.89 0.17 0.00 0.01 0.00 0.00 72.50 68.67 3n99 s THR 44 CO 0.17 -0.20 1.55 1.88 -0.69 0.00 0.00 174.62 177.34 3n99 h TYR 45 N 8.55 0.00 0.00 4.92 0.05 -1.96 -3.34 116.97 125.19 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 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 3n99 h TYR 45 CO 0.66 0.31 -0.10 0.27 -1.05 0.00 0.00 178.16 178.25 3n99 n ASN 46 N -3.21 1.46 -3.95 3.88 6.94 -1.26 -4.96 115.26 114.15 3n99 n ASN 46 Ca 0.02 -2.31 -0.26 0.00 -0.02 0.00 0.00 54.58 52.02 3n99 n ASN 46 Cb 0.63 -0.22 -0.17 0.00 -2.36 0.00 0.00 39.78 37.66 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 -1.42 1.05 0.12 3.53 1.01 -1.26 -5.11 120.40 118.33 3n99 s VAL 47 Ca 0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3n99 s VAL 47 Cb 0.11 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3n99 s VAL 47 CO 0.01 0.36 0.10 -1.59 0.00 0.00 0.00 175.10 173.98 3n99 s LYS 48 N 1.24 0.92 0.32 2.72 -2.85 -1.26 -1.80 119.74 119.02 3n99 s LYS 48 Ca -0.04 -1.31 -0.29 0.00 -1.00 0.00 0.00 55.97 53.33 3n99 s LYS 48 Cb -0.14 0.27 -0.12 0.00 -2.06 0.00 0.00 37.83 35.78 3n99 s LYS 48 CO -0.03 -0.27 1.38 1.55 0.10 0.00 0.00 175.35 178.08 3n99 n VAL 49 N -0.09 1.63 0.00 1.79 3.14 -1.26 -1.15 118.33 122.39 3n99 n VAL 49 Ca -0.08 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 3n99 n VAL 49 Cb 0.63 -1.65 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 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 1.23 3.23 3.79 7.55 0.00 0.22 -4.91 105.19 116.31 3n99 n GLY 50 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.01 4.69 0.51 1.61 1.01 -0.30 -4.72 116.67 119.46 3n99 s ASP 51 Ca 0.00 1.57 -0.23 0.00 0.71 0.00 0.00 52.55 54.60 3n99 s ASP 51 Cb 0.00 -2.34 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 3n99 s ASP 51 CO 0.00 -1.88 1.36 -0.55 0.21 0.00 0.00 175.17 174.32 3n99 s SER 52 N -3.68 5.54 0.24 0.27 0.15 -1.26 -0.38 113.70 114.58 3n99 s SER 52 Ca 0.60 2.78 0.26 0.00 0.70 0.00 0.00 55.95 60.29 3n99 s SER 52 Cb -0.15 -2.64 0.81 0.00 -1.71 0.00 0.00 66.02 62.33 3n99 s SER 52 CO 0.55 -1.39 1.76 0.00 1.20 0.00 0.00 173.24 175.37 3n99 h ALA 53 N 1.80 1.00 -2.16 5.45 0.00 -1.22 -3.42 119.26 120.70 3n99 h ALA 53 Ca -0.51 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.85 3n99 h ALA 53 Cb 1.28 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 3n99 h ALA 53 CO 0.59 0.00 -0.63 0.71 0.00 0.00 0.00 179.25 179.92 3n99 s TYR 54 N -3.14 2.71 0.00 0.00 1.51 -1.26 -0.64 117.35 116.53 3n99 s TYR 54 Ca 0.09 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 3n99 s TYR 54 Cb 0.11 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.71 3n99 s TYR 54 CO 0.57 0.59 0.00 0.41 -1.11 0.00 0.00 175.55 176.01 3n99 n GLY 55 N -0.93 0.75 3.84 0.71 0.00 -1.26 -5.03 105.19 103.27 3n99 n GLY 55 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.59 3.72 -1.38 1.61 0.52 -1.26 -4.98 118.94 114.56 3n99 s TRP 56 Ca 0.00 0.97 -0.15 0.00 0.02 0.00 0.00 56.10 56.94 3n99 s TRP 56 Cb 0.00 -2.27 0.06 0.00 -1.15 0.00 0.00 33.47 30.11 3n99 s TRP 56 CO 0.00 0.64 2.01 0.00 0.02 0.00 0.00 176.95 179.61 3n99 n ALA 57 N 1.74 4.78 -3.62 0.98 0.00 -1.26 -4.82 120.51 118.31 3n99 n ALA 57 Ca -0.14 -3.91 -0.06 0.00 0.00 0.00 0.00 53.44 49.33 3n99 n ALA 57 Cb 0.52 -3.51 -0.02 0.00 0.00 0.00 0.00 19.45 16.44 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 3.40 -0.36 -0.05 0.00 0.00 -1.26 -4.24 107.32 104.81 3n99 s GLY 58 Ca 0.49 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.76 3n99 s GLY 58 CO -0.02 0.16 -0.12 -0.35 0.00 0.00 0.00 173.10 172.76 3n99 s ASP 59 N -2.72 1.73 -1.46 1.64 2.15 -0.47 -4.74 116.67 112.79 3n99 s ASP 59 Ca 0.08 -0.29 -0.09 0.00 0.43 0.00 0.00 52.55 52.68 3n99 s ASP 59 Cb -0.01 -0.69 0.04 0.00 -0.30 0.00 0.00 42.92 41.96 3n99 s ASP 59 CO -0.04 0.06 0.85 1.41 -0.17 0.00 0.00 175.17 177.28 3n99 n HIS 60 N 3.61 -2.28 -2.31 -5.34 8.25 -0.95 -4.11 115.22 112.08 3n99 n HIS 60 Ca -0.21 0.75 -0.41 0.00 -0.26 0.00 0.00 57.72 57.59 3n99 n HIS 60 Cb 0.52 -4.26 -0.03 0.00 1.12 0.00 0.00 29.99 27.34 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 -3.21 3.30 -0.26 1.59 1.01 -1.26 -4.14 120.40 117.42 3n99 s VAL 61 Ca 0.49 1.18 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 3n99 s VAL 61 Cb -0.23 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3n99 s VAL 61 CO 0.61 0.23 0.11 -1.61 0.00 0.00 0.00 175.10 174.44 3n99 s GLU 62 N -0.84 3.69 0.53 2.72 2.02 -1.26 -0.77 118.70 124.79 3n99 s GLU 62 Ca 0.51 -0.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.81 3n99 s GLU 62 Cb -0.35 -3.43 -0.06 0.00 0.10 0.00 0.00 34.13 30.40 3n99 s GLU 62 CO 0.41 -0.21 1.34 -0.35 0.02 0.00 0.00 175.26 176.47 3n99 n PRO 63 N 4.96 1.73 0.00 0.39 -0.04 -1.26 -4.61 135.00 136.16 3n99 n PRO 63 Ca -0.15 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 3n99 n PRO 63 Cb 0.51 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3n99 n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3n99 n GLY 64 N 0.77 2.17 3.49 0.55 0.00 -0.75 -4.50 105.19 106.92 3n99 n GLY 64 Ca 0.10 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 4.32 -0.09 1.61 1.01 -0.16 -1.29 120.40 125.80 3n99 s VAL 65 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 3n99 s VAL 65 Cb 0.00 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3n99 s VAL 65 CO 0.00 0.39 0.46 -0.44 0.00 0.00 0.00 175.10 175.51 3n99 s SER 66 N 1.11 6.71 -0.15 3.32 0.01 -0.31 -0.84 113.70 123.54 3n99 s SER 66 Ca 0.04 0.84 -0.00 0.00 1.31 0.00 0.00 55.95 58.13 3n99 s SER 66 Cb -0.14 -2.28 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 3n99 s SER 66 CO 0.03 0.07 -0.14 -0.69 0.41 0.00 0.00 173.24 172.92 3n99 s VAL 67 N 0.25 2.78 0.40 3.43 1.01 0.10 -0.66 120.40 127.71 3n99 s VAL 67 Ca 0.25 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3n99 s VAL 67 Cb -0.15 -2.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 3n99 s VAL 67 CO 0.11 0.51 0.07 0.00 0.00 0.00 0.00 175.10 175.79 3n99 s MET 68 N 0.77 2.07 0.60 2.72 0.23 0.55 -1.01 119.30 125.24 3n99 s MET 68 Ca -0.06 -1.95 -0.17 0.00 -1.03 0.00 0.00 55.69 52.49 3n99 s MET 68 Cb -0.15 -1.82 -0.03 0.00 -1.53 0.00 0.00 34.83 31.30 3n99 s MET 68 CO 0.01 -0.04 1.10 0.00 -2.03 0.00 0.00 175.02 174.06 3n99 s ALA 69 N -2.64 2.62 0.32 3.16 0.00 -1.26 0.00 121.76 123.96 3n99 s ALA 69 Ca 0.37 0.61 0.20 0.00 0.00 0.00 0.00 51.96 53.14 3n99 s ALA 69 Cb 0.06 -3.31 0.97 0.00 0.00 0.00 0.00 23.12 20.84 3n99 s ALA 69 CO 0.20 -0.97 1.89 0.00 0.00 0.00 0.00 175.76 176.88 3n99 h ARG 70 N 0.57 0.00 -2.63 0.00 3.08 -1.90 -3.43 114.38 110.07 3n99 h ARG 70 Ca -0.48 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.66 3n99 h ARG 70 Cb 1.24 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 3n99 h ARG 70 CO 0.56 0.27 0.37 -0.98 -1.07 0.00 0.00 179.97 179.12 3n99 s ARG 71 N -4.01 1.27 0.18 0.04 1.70 -1.26 -5.07 118.95 111.80 3n99 s ARG 71 Ca -0.02 -0.62 -0.13 0.00 -0.47 0.00 0.00 55.73 54.50 3n99 s ARG 71 Cb 0.13 0.49 0.12 0.00 -0.57 0.00 0.00 34.95 35.12 3n99 s ARG 71 CO 0.66 -0.57 1.81 -0.22 -1.08 0.00 0.00 175.30 175.90 3n99 h LYS 72 N 2.00 0.59 -0.01 3.89 3.64 -2.03 -1.95 116.57 122.70 3n99 h LYS 72 Ca -0.25 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3n99 h LYS 72 Cb 1.25 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3n99 h LYS 72 CO 0.29 0.39 0.03 0.93 -2.27 0.00 0.00 179.45 178.82 3n99 h GLU 73 N 0.61 0.00 -0.33 1.90 3.07 -2.00 -0.53 114.58 117.30 3n99 h GLU 73 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3n99 h GLU 73 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3n99 h GLU 73 CO -0.11 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.89 3n99 n GLU 74 N -3.31 1.96 -0.03 2.33 1.02 -0.73 -4.40 120.64 117.48 3n99 n GLU 74 Ca -0.03 -1.47 -0.14 0.00 -0.02 0.00 0.00 57.16 55.50 3n99 n GLU 74 Cb 0.11 -1.38 -0.10 0.00 -0.02 0.00 0.00 31.44 30.05 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 2.65 0.18 -0.14 3.49 5.08 -1.17 -2.95 114.58 121.72 3n99 h GLU 75 Ca 0.00 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3n99 h GLU 75 Cb 0.59 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3n99 h GLU 75 CO 0.00 0.76 -0.06 0.82 -1.00 0.00 0.00 179.01 179.53 3n99 h ILE 76 N -0.37 0.79 -0.48 3.13 2.04 -1.78 -0.96 117.51 119.88 3n99 h ILE 76 Ca -0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 3n99 h ILE 76 Cb 0.78 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3n99 h ILE 76 CO 0.03 0.00 -0.05 1.55 0.00 0.00 0.00 178.15 179.69 3n99 h PRO 77 N -0.04 0.83 -0.53 2.37 0.13 -1.84 0.17 132.00 133.08 3n99 h PRO 77 Ca 0.08 -0.25 0.06 0.00 -0.87 0.00 0.00 66.00 65.02 3n99 h PRO 77 Cb 0.16 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.16 3n99 h PRO 77 CO -0.17 0.86 0.24 1.25 -0.23 0.00 0.00 178.00 179.94 3n99 h LEU 78 N 0.76 0.30 0.00 1.56 5.85 -1.27 -0.97 115.31 121.55 3n99 h LEU 78 Ca 0.14 0.05 -0.24 0.00 0.84 0.00 0.00 57.88 58.67 3n99 h LEU 78 Cb 0.53 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3n99 h LEU 78 CO 0.03 0.20 -1.21 0.24 -0.34 0.00 0.00 178.44 177.36 3n99 h MET 79 N 0.45 0.01 0.14 1.25 2.86 -0.77 -3.17 114.93 115.70 3n99 h MET 79 Ca 0.25 -0.01 -0.26 0.00 -2.06 0.00 0.00 59.70 57.61 3n99 h MET 79 Cb 0.21 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.89 3n99 h MET 79 CO -0.21 0.86 -1.27 1.15 1.06 0.00 0.00 176.91 178.50 3n99 h THR 80 N 0.00 1.18 0.00 2.22 2.02 -0.61 -3.39 112.91 114.33 3n99 h THR 80 Ca -0.09 -2.46 -0.10 0.00 0.77 0.00 0.00 66.41 64.52 3n99 h THR 80 Cb 1.85 2.88 -0.02 0.00 -1.74 0.00 0.00 68.15 71.11 3n99 h THR 80 CO 0.12 0.72 -1.02 -0.07 0.37 0.00 0.00 175.52 175.64 3n99 h LEU 81 N -0.27 0.00 -9.31 2.58 3.38 -1.33 -3.45 115.31 106.90 3n99 h LEU 81 Ca -0.26 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.16 3n99 h LEU 81 Cb 1.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 3n99 h LEU 81 CO 0.11 0.39 0.94 -0.44 0.09 0.00 0.00 178.44 179.53 3n99 s SER 82 N -5.86 6.78 0.09 -0.43 0.01 -1.20 -3.92 113.70 109.17 3n99 s SER 82 Ca -0.00 2.13 0.08 0.00 1.31 0.00 0.00 55.95 59.47 3n99 s SER 82 Cb 0.08 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 3n99 s SER 82 CO 0.78 -0.81 -0.18 0.00 0.41 0.00 0.00 173.24 173.44 3n99 n ILE 84 N 1.08 0.42 0.00 0.00 5.41 -0.25 -1.45 119.36 124.57 3n99 n ILE 84 Ca -0.16 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.52 3n99 n ILE 84 Cb 0.52 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 3n99 n ILE 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3n99 n GLY 85 N 4.29 2.58 3.77 7.39 0.00 0.44 -1.48 105.19 122.18 3n99 n GLY 85 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3n99 n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3n99 n ASN 86 N 0.00 3.40 -4.75 1.61 5.03 -0.53 -4.57 115.26 115.45 3n99 n ASN 86 Ca 0.00 1.13 -0.41 0.00 0.87 0.00 0.00 54.58 56.16 3n99 n ASN 86 Cb 0.00 -1.61 -0.02 0.00 -1.02 0.00 0.00 39.78 37.13 3n99 n ASN 86 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3n99 s GLU 87 N -2.45 4.26 -0.06 3.52 2.12 -1.26 -1.88 118.70 122.96 3n99 s GLU 87 Ca 0.61 2.32 0.04 0.00 0.36 0.00 0.00 54.97 58.30 3n99 s GLU 87 Cb -0.45 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 30.86 3n99 s GLU 87 CO 0.58 -0.39 -0.17 0.08 -0.54 0.00 0.00 175.26 174.82 3n99 s VAL 88 N -0.32 1.44 -0.08 3.70 1.01 0.38 -1.28 120.40 125.26 3n99 s VAL 88 Ca 0.57 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3n99 s VAL 88 Cb -0.42 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3n99 s VAL 88 CO 0.47 0.42 -0.16 -0.63 0.00 0.00 0.00 175.10 175.20 3n99 s ILE 89 N 0.28 1.45 0.03 2.22 1.01 -0.36 0.39 121.20 126.21 3n99 s ILE 89 Ca -0.10 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 3n99 s ILE 89 Cb -0.14 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 3n99 s ILE 89 CO 0.04 0.42 1.19 -0.69 0.00 0.00 0.00 174.94 175.90 3n99 s VAL 90 N 0.54 4.14 -0.57 2.92 1.01 -0.10 -1.53 120.40 126.80 3n99 s VAL 90 Ca -0.16 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.39 3n99 s VAL 90 Cb -0.16 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.27 3n99 s VAL 90 CO 0.05 0.09 0.60 0.23 0.00 0.00 0.00 175.10 176.08 3n99 n MET 91 N 4.19 0.37 -3.99 2.72 2.81 -0.12 -0.42 117.12 122.68 3n99 n MET 91 Ca 0.09 -0.70 -0.09 0.00 -1.81 0.00 0.00 57.70 55.19 3n99 n MET 91 Cb 0.47 -1.05 -0.05 0.00 -0.71 0.00 0.00 33.22 31.88 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 -0.53 -0.06 0.08 7.83 1.04 -1.23 -4.86 113.70 115.97 3n99 s SER 92 Ca 0.05 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3n99 s SER 92 Cb 0.04 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3n99 s SER 92 CO 0.08 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3n99 n GLY 93 N -0.40 -1.76 0.27 7.32 0.00 -1.26 -4.07 105.19 105.29 3n99 n GLY 93 Ca -0.02 -1.35 0.17 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.56 1.61 3.32 -1.98 -2.73 116.42 116.08 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 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3n99 n ALA 95 N -2.10 3.44 -1.62 3.45 0.00 -1.26 -5.00 120.51 117.42 3n99 n ALA 95 Ca 0.01 -1.83 -0.48 0.00 0.00 0.00 0.00 53.44 51.13 3n99 n ALA 95 Cb 0.32 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 0.68 1.53 0.00 0.00 4.81 -1.03 -0.88 118.16 123.26 3n99 n LYS 96 Ca 0.26 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3n99 n LYS 96 Cb 1.03 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.90 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 2.50 2.58 3.77 3.14 0.00 0.44 -4.99 105.19 112.62 3n99 n GLY 97 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.58 6.40 -0.06 1.61 0.01 -0.06 -4.76 113.70 115.26 3n99 s SER 98 Ca 0.00 2.69 0.03 0.00 1.31 0.00 0.00 55.95 59.98 3n99 s SER 98 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 3n99 s SER 98 CO 0.00 -0.79 -0.16 -0.13 0.41 0.00 0.00 173.24 172.57 3n99 s ARG 99 N -2.15 2.63 0.00 12.44 0.52 -1.26 -0.93 118.95 130.21 3n99 s ARG 99 Ca 0.55 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 3n99 s ARG 99 Cb -0.39 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 32.70 3n99 s ARG 99 CO 0.51 0.53 0.00 0.41 0.02 0.00 0.00 175.30 176.76 3n99 n GLY 100 N 2.59 4.95 2.92 -3.53 0.00 0.16 -4.68 105.19 107.59 3n99 n GLY 100 Ca -0.17 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.20 0.19 0.08 1.61 0.40 -0.71 -0.47 117.98 117.89 3n99 s PHE 101 Ca 0.00 -0.13 -0.31 0.00 -0.60 0.00 0.00 56.93 55.89 3n99 s PHE 101 Cb 0.00 -0.13 -0.07 0.00 0.51 0.00 0.00 43.02 43.33 3n99 s PHE 101 CO 0.00 -0.04 1.38 0.08 0.70 0.00 0.00 175.22 177.34 3n99 s VAL 102 N -0.34 3.48 -0.04 -0.44 1.01 -0.79 -0.61 120.40 122.68 3n99 s VAL 102 Ca -0.03 1.02 0.21 0.00 0.00 0.00 0.00 61.98 63.19 3n99 s VAL 102 Cb -0.03 -3.66 -0.32 0.00 0.00 0.00 0.00 36.38 32.38 3n99 s VAL 102 CO -0.00 0.06 0.44 0.35 0.00 0.00 0.00 175.10 175.95 3n99 n THR 103 N 4.15 0.07 -1.15 3.92 -2.24 0.42 -0.42 114.28 119.03 3n99 n THR 103 Ca 0.12 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3n99 n THR 103 Cb 0.43 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.33 -1.66 3.45 3.38 0.00 -1.19 -4.86 105.19 105.64 3n99 n GLY 104 Ca -0.05 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.60 1.10 -0.05 1.61 -2.85 -1.26 -0.79 119.74 115.90 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 0.51 0.03 0.00 -2.06 0.00 0.00 37.83 36.31 3n99 s LYS 105 CO 0.00 -0.40 0.02 -1.58 0.10 0.00 0.00 175.35 173.49 3n99 s HIS 106 N -2.30 0.40 0.62 1.78 2.46 0.68 -4.21 115.29 114.71 3n99 s HIS 106 Ca -0.06 0.01 -0.07 0.00 0.47 0.00 0.00 55.06 55.40 3n99 s HIS 106 Cb -0.01 -0.62 0.01 0.00 -0.13 0.00 0.00 32.58 31.83 3n99 s HIS 106 CO -0.00 -0.24 0.95 0.20 -2.47 0.00 0.00 174.74 173.18 3n99 s GLY 107 N 1.85 1.61 0.00 1.59 0.00 -1.26 -1.26 107.32 109.86 3n99 s GLY 107 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3n99 s GLY 107 CO -0.04 -0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.39 3n99 n GLY 108 N -2.69 1.39 0.24 0.20 0.00 -1.26 -4.27 105.19 98.81 3n99 n GLY 108 Ca 0.05 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 0.43 -4.66 1.61 -1.51 -2.04 -3.47 116.25 106.61 3n99 h VAL 109 Ca 0.00 -0.87 -0.09 0.00 -1.23 0.00 0.00 66.70 64.51 3n99 h VAL 109 Cb 0.00 1.63 0.07 0.00 -2.13 0.00 0.00 31.29 30.86 3n99 h VAL 109 CO 0.00 0.15 -0.30 0.59 -1.23 0.00 0.00 177.57 176.79 3n99 n ASN 110 N -3.36 -5.62 -4.60 4.19 3.02 -0.79 -4.95 115.26 103.15 3n99 n ASN 110 Ca -0.00 -0.27 -0.34 0.00 -0.03 0.00 0.00 54.58 53.94 3n99 n ASN 110 Cb 0.36 -3.87 -0.11 0.00 -0.61 0.00 0.00 39.78 35.55 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 -3.13 2.97 -0.08 3.10 3.76 -0.39 -4.47 115.29 117.05 3n99 s HIS 111 Ca 0.16 0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 55.01 3n99 s HIS 111 Cb -0.02 -1.72 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 3n99 s HIS 111 CO 0.51 0.35 0.26 0.08 -0.85 0.00 0.00 174.74 175.10 3n99 s VAL 112 N -0.82 5.29 -0.14 -0.90 1.01 -0.18 -0.23 120.40 124.43 3n99 s VAL 112 Ca 0.13 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 3n99 s VAL 112 Cb -0.11 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3n99 s VAL 112 CO 0.02 0.57 -0.07 -0.76 0.00 0.00 0.00 175.10 174.86 3n99 s LEU 113 N -0.82 3.10 -0.02 3.92 1.43 0.03 0.02 118.68 126.34 3n99 s LEU 113 Ca 0.18 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 3n99 s LEU 113 Cb -0.14 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3n99 s LEU 113 CO 0.07 0.19 -0.10 -0.69 0.23 0.00 0.00 176.35 176.06 3n99 s VAL 114 N 0.21 0.82 -0.23 -1.59 1.01 -0.02 -0.43 120.40 120.16 3n99 s VAL 114 Ca -0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 3n99 s VAL 114 Cb -0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3n99 s VAL 114 CO 0.03 0.25 0.28 -2.28 0.00 0.00 0.00 175.10 173.38 3n99 s HIS 115 N 0.13 3.32 0.25 5.22 2.46 0.22 -0.99 115.29 125.90 3n99 s HIS 115 Ca -0.02 0.38 0.11 0.00 0.47 0.00 0.00 55.06 56.00 3n99 s HIS 115 Cb -0.08 -2.41 -0.05 0.00 -0.13 0.00 0.00 32.58 29.91 3n99 s HIS 115 CO 0.00 -0.02 -0.16 -0.06 -2.47 0.00 0.00 174.74 172.04 3n99 s PHE 116 N 1.34 2.40 0.64 3.88 0.08 -1.26 -1.74 117.98 123.32 3n99 s PHE 116 Ca 0.13 -0.30 -0.18 0.00 0.12 0.00 0.00 56.93 56.69 3n99 s PHE 116 Cb -0.14 -1.08 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3n99 s PHE 116 CO 0.07 0.64 1.25 -1.83 -0.10 0.00 0.00 175.22 175.25 3n99 s GLU 117 N -3.33 2.65 0.33 0.44 -1.05 -1.26 -4.88 118.70 111.59 3n99 s GLU 117 Ca 0.28 1.93 0.04 0.00 -0.15 0.00 0.00 54.97 57.07 3n99 s GLU 117 Cb -0.06 -1.87 0.66 0.00 -0.44 0.00 0.00 34.13 32.41 3n99 s GLU 117 CO 0.15 -1.49 1.89 1.49 0.95 0.00 0.00 175.26 178.26 3n99 h GLU 118 N 0.54 0.85 -0.03 -4.83 4.81 -2.01 -1.84 114.58 112.07 3n99 h GLU 118 Ca -0.50 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 3n99 h GLU 118 Cb 1.32 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 3n99 h GLU 118 CO 0.53 0.56 -0.10 1.05 -0.73 0.00 0.00 179.01 180.33 3n99 h GLU 119 N 0.87 0.04 -0.39 1.92 9.09 -2.04 -2.35 114.58 121.73 3n99 h GLU 119 Ca 0.41 -0.01 -0.14 0.00 0.05 0.00 0.00 59.36 59.68 3n99 h GLU 119 Cb 0.42 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 3n99 h GLU 119 CO -0.18 0.15 -0.30 0.28 0.05 0.00 0.00 179.01 179.01 3n99 h VAL 120 N 0.04 1.28 -1.01 -1.06 2.07 -1.69 -3.35 116.25 112.54 3n99 h VAL 120 Ca 0.01 -1.45 0.09 0.00 0.82 0.00 0.00 66.70 66.17 3n99 h VAL 120 Cb 0.20 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 3n99 h VAL 120 CO 0.01 0.48 0.64 -0.07 0.02 0.00 0.00 177.57 178.66 3n99 h LEU 121 N 0.71 0.98 -2.29 2.57 3.38 -1.44 -0.24 115.31 118.99 3n99 h LEU 121 Ca 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3n99 h LEU 121 Cb 0.85 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3n99 h LEU 121 CO 0.07 0.57 -0.02 1.23 0.09 0.00 0.00 178.44 180.38 3n99 h GLY 122 N 1.08 0.00 0.81 0.83 0.00 -1.71 -2.58 103.07 101.51 3n99 h GLY 122 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3n99 h GLY 122 CO -0.22 0.00 -0.63 0.28 0.00 0.00 0.00 176.54 175.96 3n99 n LYS 123 N -3.23 0.04 -2.24 4.80 5.02 -0.10 -4.97 118.16 117.49 3n99 n LYS 123 Ca -0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 3n99 n LYS 123 Cb 0.18 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 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 -3.15 3.50 0.02 -0.35 1.43 -0.97 -4.16 118.68 114.99 3n99 s LEU 124 Ca 0.10 1.49 0.01 0.00 -1.03 0.00 0.00 54.13 54.70 3n99 s LEU 124 Cb 0.17 -4.46 -0.01 0.00 0.03 0.00 0.00 46.19 41.91 3n99 s LEU 124 CO 0.74 -0.68 -0.05 -0.32 0.23 0.00 0.00 176.35 176.27 3n99 s MET 125 N -4.46 0.39 0.29 1.70 -2.45 -1.26 -5.07 119.30 108.45 3n99 s MET 125 Ca 0.57 -0.47 -0.30 0.00 -1.25 0.00 0.00 55.69 54.25 3n99 s MET 125 Cb -0.10 -0.22 -0.12 0.00 1.25 0.00 0.00 34.83 35.63 3n99 s MET 125 CO 0.39 0.05 1.51 0.28 1.05 0.00 0.00 175.02 178.30 3n99 n VAL 126 N 2.14 1.19 0.00 10.11 0.31 -1.26 -1.71 118.33 129.11 3n99 n VAL 126 Ca -0.19 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 3n99 n VAL 126 Cb 0.56 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3n99 n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3n99 n GLY 127 N 1.86 2.12 3.72 2.92 0.00 -0.43 -4.95 105.19 110.44 3n99 n GLY 127 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3n99 n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n99 n ASP 128 N 0.00 3.22 -4.74 1.61 8.00 -0.69 -4.54 116.55 119.41 3n99 n ASP 128 Ca 0.00 1.19 -0.41 0.00 0.71 0.00 0.00 54.79 56.28 3n99 n ASP 128 Cb 0.00 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 39.53 3n99 n ASP 128 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3n99 s LYS 129 N -1.44 4.54 -0.06 -1.24 1.02 -1.26 -1.22 119.74 120.07 3n99 s LYS 129 Ca 0.58 1.81 0.04 0.00 0.02 0.00 0.00 55.97 58.42 3n99 s LYS 129 Cb -0.55 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 3n99 s LYS 129 CO 0.58 -0.01 -0.17 0.42 -0.92 0.00 0.00 175.35 175.25 3n99 s ILE 130 N -0.21 1.49 -0.20 2.17 -1.09 0.44 -0.95 121.20 122.86 3n99 s ILE 130 Ca 0.51 -0.72 -0.02 0.00 -2.23 0.00 0.00 60.65 58.18 3n99 s ILE 130 Cb -0.31 -1.30 -0.00 0.00 -1.58 0.00 0.00 42.46 39.26 3n99 s ILE 130 CO 0.36 0.43 -0.08 -0.22 -1.23 0.00 0.00 174.94 174.20 3n99 s LEU 131 N 0.26 2.73 -0.26 2.97 2.96 -0.58 -1.24 118.68 125.51 3n99 s LEU 131 Ca -0.10 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 3n99 s LEU 131 Cb -0.14 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3n99 s LEU 131 CO 0.04 0.01 0.11 -0.63 -1.32 0.00 0.00 176.35 174.56 3n99 s ILE 132 N 1.29 4.66 -1.19 6.68 1.01 0.62 -1.22 121.20 133.04 3n99 s ILE 132 Ca 0.03 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 3n99 s ILE 132 Cb -0.14 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.19 3n99 s ILE 132 CO -0.04 0.30 1.61 -0.54 0.00 0.00 0.00 174.94 176.27 3n99 s LYS 133 N 1.66 3.84 0.22 2.79 1.02 -0.40 -1.09 119.74 127.79 3n99 s LYS 133 Ca 0.07 -1.70 -0.30 0.00 0.02 0.00 0.00 55.97 54.06 3n99 s LYS 133 Cb -0.15 -5.45 -0.08 0.00 -0.52 0.00 0.00 37.83 31.63 3n99 s LYS 133 CO 0.06 -2.21 1.14 0.00 -0.92 0.00 0.00 175.35 173.42 3n99 s ALA 134 N 4.37 3.41 -0.30 5.17 0.00 -0.42 -4.27 121.76 129.73 3n99 s ALA 134 Ca 0.50 0.90 -0.15 0.00 0.00 0.00 0.00 51.96 53.22 3n99 s ALA 134 Cb 0.02 -3.37 0.16 0.00 0.00 0.00 0.00 23.12 19.93 3n99 s ALA 134 CO 0.01 -0.26 0.96 -0.46 0.00 0.00 0.00 175.76 176.01 3n99 s TRP 135 N -0.49 -0.70 0.00 0.00 -0.00 -1.25 -1.71 118.94 114.78 3n99 s TRP 135 Ca 0.49 1.25 0.00 0.00 -0.00 0.00 0.00 56.10 57.84 3n99 s TRP 135 Cb -0.32 0.42 0.00 0.00 -0.00 0.00 0.00 33.47 33.58 3n99 s TRP 135 CO 0.38 -0.35 0.00 0.41 -0.00 0.00 0.00 176.95 177.39 3n99 n GLY 136 N 4.78 1.50 3.75 5.86 0.00 -1.26 -4.20 105.19 115.62 3n99 n GLY 136 Ca -0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 4.43 0.00 1.61 -1.52 -1.26 -2.09 119.66 120.82 3n99 s GLN 137 Ca 0.00 2.03 0.00 0.00 -1.95 0.00 0.00 55.36 55.44 3n99 s GLN 137 Cb 0.00 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 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 1.84 0.98 3.72 3.09 0.00 -1.26 -4.77 105.19 108.79 3n99 n GLY 138 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3n99 n GLY 138 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3n99 n LEU 139 N 0.00 3.98 -3.98 0.99 7.94 -0.89 -4.97 117.00 120.06 3n99 n LEU 139 Ca 0.00 1.19 -0.16 0.00 -1.11 0.00 0.00 56.01 55.93 3n99 n LEU 139 Cb 0.00 -1.53 -0.14 0.00 0.53 0.00 0.00 43.42 42.27 3n99 n LEU 139 CO 0.00 -0.19 -0.41 -0.54 -1.11 0.00 0.00 177.39 175.14 3n99 s LYS 140 N -1.47 0.49 -0.58 1.96 1.02 -1.26 -4.50 119.74 115.40 3n99 s LYS 140 Ca 0.58 -0.27 -0.23 0.00 0.02 0.00 0.00 55.97 56.07 3n99 s LYS 140 Cb -0.54 -0.46 0.05 0.00 -0.52 0.00 0.00 37.83 36.36 3n99 s LYS 140 CO 0.58 0.12 0.92 -0.51 -0.92 0.00 0.00 175.35 175.54 3n99 s LEU 141 N -0.29 4.29 0.41 3.17 1.43 -1.26 -2.69 118.68 123.75 3n99 s LEU 141 Ca 0.01 -0.64 0.11 0.00 -1.03 0.00 0.00 54.13 52.59 3n99 s LEU 141 Cb -0.03 -2.64 0.85 0.00 0.03 0.00 0.00 46.19 44.40 3n99 s LEU 141 CO -0.00 -1.27 1.94 -0.07 0.23 0.00 0.00 176.35 177.18 3n99 h LEU 142 N 10.97 0.13 -0.57 1.79 3.38 -1.39 -0.74 115.31 128.89 3n99 h LEU 142 Ca -0.27 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3n99 h LEU 142 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3n99 h LEU 142 CO 1.11 0.31 -0.11 0.47 0.09 0.00 0.00 178.44 180.31 3n99 n ASP 143 N -4.28 1.00 -3.32 -0.43 8.00 -1.26 -4.55 116.55 111.71 3n99 n ASP 143 Ca -0.01 -1.05 -0.25 0.00 0.71 0.00 0.00 54.79 54.18 3n99 n ASP 143 Cb 0.27 0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.32 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 -0.44 0.76 0.29 1.24 8.25 -0.28 -4.95 115.22 120.08 3n99 n HIS 144 Ca 0.16 -3.72 0.18 0.00 -0.26 0.00 0.00 57.72 54.08 3n99 n HIS 144 Cb 0.32 -0.33 0.76 0.00 1.12 0.00 0.00 29.99 31.86 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 4.37 0.00 -0.16 -0.41 0.13 -1.80 -1.50 132.00 132.62 3n99 h PRO 145 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3n99 h PRO 145 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3n99 h PRO 145 CO 0.56 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 3n99 n ASP 146 N -3.10 2.15 -4.46 1.44 8.00 -1.26 -4.72 116.55 114.60 3n99 n ASP 146 Ca -0.00 -1.76 -0.40 0.00 0.71 0.00 0.00 54.79 53.34 3n99 n ASP 146 Cb 0.27 -0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.80 4.91 -0.03 2.53 1.01 -0.57 -4.57 120.40 121.88 3n99 s VAL 147 Ca 0.34 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 3n99 s VAL 147 Cb 0.20 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3n99 s VAL 147 CO 0.29 -0.09 0.41 -0.54 0.00 0.00 0.00 175.10 175.18 3n99 s LYS 148 N 1.64 4.00 0.14 2.72 -0.14 -0.16 -4.61 119.74 123.33 3n99 s LYS 148 Ca 0.05 0.40 0.10 0.00 -1.36 0.00 0.00 55.97 55.16 3n99 s LYS 148 Cb -0.18 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 3n99 s LYS 148 CO 0.08 0.59 -0.25 0.08 -0.76 0.00 0.00 175.35 175.09 3n99 s VAL 149 N -0.73 2.14 0.04 3.17 1.01 -1.26 -1.06 120.40 123.72 3n99 s VAL 149 Ca 0.24 -1.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.16 3n99 s VAL 149 Cb -0.16 -1.93 0.09 0.00 0.00 0.00 0.00 36.38 34.38 3n99 s VAL 149 CO 0.12 -0.00 1.02 0.00 0.00 0.00 0.00 175.10 176.25 3n99 s MET 150 N -2.18 0.85 -1.92 2.72 0.23 -0.77 -4.69 119.30 113.54 3n99 s MET 150 Ca 0.14 -0.42 0.00 0.00 -1.03 0.00 0.00 55.69 54.38 3n99 s MET 150 Cb -0.09 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.53 3n99 s MET 150 CO 0.06 -0.39 0.00 0.09 -2.03 0.00 0.00 175.02 172.76 3n99 n ASN 151 N -0.37 -5.26 -3.79 -1.18 3.02 -1.26 -4.25 115.26 102.17 3n99 n ASN 151 Ca -0.07 0.45 -0.16 0.00 -0.03 0.00 0.00 54.58 54.77 3n99 n ASN 151 Cb 0.61 -4.52 -0.16 0.00 -0.61 0.00 0.00 39.78 35.10 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 -2.52 0.05 0.10 2.41 2.07 -1.26 -1.09 121.20 120.95 3n99 s ILE 152 Ca 0.00 0.16 -0.33 0.00 -1.41 0.00 0.00 60.65 59.07 3n99 s ILE 152 Cb 0.00 -0.16 -0.12 0.00 0.13 0.00 0.00 42.46 42.31 3n99 s ILE 152 CO 0.00 0.11 1.75 -0.67 -1.91 0.00 0.00 174.94 174.22 3n99 n ASP 153 N 4.14 3.57 -0.04 4.50 -0.08 -0.55 -4.61 116.55 123.48 3n99 n ASP 153 Ca -0.27 1.02 0.07 0.00 -1.51 0.00 0.00 54.79 54.10 3n99 n ASP 153 Cb 0.50 -1.47 0.44 0.00 2.34 0.00 0.00 41.12 42.94 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 7.61 0.52 -0.57 -0.67 0.11 -1.91 0.01 132.00 137.11 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 1.24 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3n99 h PRO 154 CO 0.93 0.34 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.58 3n99 h ASP 155 N 0.53 1.02 -0.45 -2.05 3.32 -1.96 -2.59 116.42 114.25 3n99 h ASP 155 Ca 0.20 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 3n99 h ASP 155 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3n99 h ASP 155 CO -0.05 1.10 0.06 0.25 -1.72 0.00 0.00 179.24 178.87 3n99 h LEU 156 N 0.92 0.72 -0.83 1.55 5.85 -1.69 -2.98 115.31 118.86 3n99 h LEU 156 Ca 0.16 -0.27 0.17 0.00 0.84 0.00 0.00 57.88 58.78 3n99 h LEU 156 Cb 0.60 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.33 3n99 h LEU 156 CO 0.04 0.81 0.37 0.15 -0.34 0.00 0.00 178.44 179.47 3n99 h PHE 157 N 0.61 0.63 0.00 1.25 3.57 -0.91 -0.62 116.94 121.47 3n99 h PHE 157 Ca 0.13 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3n99 h PHE 157 Cb 0.40 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3n99 h PHE 157 CO 0.03 0.06 0.00 0.93 -2.23 0.00 0.00 178.31 177.10 3n99 h GLU 158 N 0.48 0.00 -0.19 1.11 5.08 -1.30 -2.71 114.58 117.06 3n99 h GLU 158 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 3n99 h GLU 158 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3n99 h GLU 158 CO -0.43 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.21 3n99 n LYS 159 N -2.98 2.34 0.00 2.33 5.02 -0.25 -4.49 118.16 120.13 3n99 n LYS 159 Ca -0.01 -1.98 0.15 0.00 -2.02 0.00 0.00 58.31 54.45 3n99 n LYS 159 Cb 0.19 -1.48 0.84 0.00 -0.02 0.00 0.00 35.03 34.56 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 1.29 0.00 0.00 -0.35 4.77 -1.02 -4.88 117.00 116.80 3n99 n LEU 160 Ca 0.17 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3n99 n LEU 160 Cb 0.57 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3n99 n LEU 160 CO 0.15 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3n99 n GLY 161 N 1.01 0.61 3.74 -0.72 0.00 -1.26 -4.75 105.19 103.82 3n99 n GLY 161 Ca 0.20 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.48 -0.07 -0.61 1.01 -1.26 -4.62 121.20 117.13 3n99 s ILE 162 Ca 0.00 1.25 0.02 0.00 0.00 0.00 0.00 60.65 61.92 3n99 s ILE 162 Cb 0.00 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.69 3n99 s ILE 162 CO 0.00 0.20 -0.13 -1.10 0.00 0.00 0.00 174.94 173.91 3n99 s GLN 163 N -0.25 1.78 -0.30 2.79 -0.21 -0.66 -4.97 119.66 117.84 3n99 s GLN 163 Ca 0.53 -0.43 -0.21 0.00 0.02 0.00 0.00 55.36 55.27 3n99 s GLN 163 Cb -0.33 -1.47 -0.01 0.00 1.00 0.00 0.00 33.01 32.19 3n99 s GLN 163 CO 0.37 0.02 0.67 -2.00 -2.12 0.00 0.00 175.29 172.23 3n99 s GLU 164 N 0.70 3.94 -0.05 2.91 2.12 -1.26 -0.75 118.70 126.31 3n99 s GLU 164 Ca -0.14 0.40 -0.02 0.00 0.36 0.00 0.00 54.97 55.57 3n99 s GLU 164 Cb -0.16 -3.72 0.03 0.00 0.26 0.00 0.00 34.13 30.55 3n99 s GLU 164 CO 0.03 -0.58 0.08 0.21 -0.54 0.00 0.00 175.26 174.46 3n99 s LYS 165 N 2.69 -0.05 -1.41 4.30 2.20 -0.47 -4.87 119.74 122.13 3n99 s LYS 165 Ca 0.27 0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 56.19 3n99 s LYS 165 Cb -0.15 -0.52 0.04 0.00 -1.51 0.00 0.00 37.83 35.69 3n99 s LYS 165 CO 0.12 -0.34 0.98 0.09 -0.36 0.00 0.00 175.35 175.83 3n99 n ASN 166 N 5.30 -4.15 0.00 1.43 3.02 -1.26 -1.86 115.26 117.74 3n99 n ASN 166 Ca -0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3n99 n ASN 166 Cb 0.50 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 3n99 n ASN 166 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n99 n GLY 167 N -1.70 0.33 3.48 7.41 0.00 -1.26 -5.03 105.19 108.43 3n99 n GLY 167 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.78 1.76 -0.30 1.61 1.02 -0.78 -4.94 119.74 117.34 3n99 s LYS 168 Ca 0.00 -1.20 -0.08 0.00 0.02 0.00 0.00 55.97 54.72 3n99 s LYS 168 Cb 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3n99 s LYS 168 CO 0.00 0.48 0.10 0.42 -0.92 0.00 0.00 175.35 175.43 3n99 s ILE 169 N -1.16 4.19 -0.21 2.17 1.01 0.23 -1.36 121.20 126.06 3n99 s ILE 169 Ca 0.18 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 3n99 s ILE 169 Cb -0.10 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3n99 s ILE 169 CO 0.10 0.09 0.23 -1.00 0.00 0.00 0.00 174.94 174.36 3n99 s HIS 170 N 1.54 3.36 -0.15 3.97 3.76 0.07 0.27 115.29 128.11 3n99 s HIS 170 Ca 0.03 0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 55.33 3n99 s HIS 170 Cb -0.17 -2.32 0.03 0.00 1.11 0.00 0.00 32.58 31.23 3n99 s HIS 170 CO 0.04 0.11 -0.09 0.08 -0.85 0.00 0.00 174.74 174.02 3n99 s VAL 171 N 0.93 1.31 0.21 -0.90 1.01 -0.53 -1.65 120.40 120.78 3n99 s VAL 171 Ca 0.12 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 3n99 s VAL 171 Cb -0.13 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 3n99 s VAL 171 CO 0.04 0.29 1.39 -2.84 0.00 0.00 0.00 175.10 173.98 3n99 s PRO 172 N 1.57 4.32 0.04 2.72 0.02 -1.26 -0.44 135.00 141.97 3n99 s PRO 172 Ca 0.03 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 63.21 3n99 s PRO 172 Cb -0.14 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 3n99 s PRO 172 CO -0.09 -0.36 -0.01 0.14 -0.33 0.00 0.00 177.00 176.35 3n99 s VAL 173 N 0.24 0.17 -0.65 3.83 -7.23 -0.26 -4.83 120.40 111.67 3n99 s VAL 173 Ca 0.59 -1.39 0.23 0.00 -1.81 0.00 0.00 61.98 59.61 3n99 s VAL 173 Cb -0.39 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.52 3n99 s VAL 173 CO 0.39 -0.77 1.16 1.33 -0.31 0.00 0.00 175.10 176.90 3n99 n VAL 174 N 0.73 0.23 -3.53 1.32 0.24 -0.02 -0.77 118.33 116.53 3n99 n VAL 174 Ca -0.18 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 61.75 3n99 n VAL 174 Cb 0.59 0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 33.00 3n99 n VAL 174 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n99 s ALA 175 N -3.17 -1.82 -0.19 2.33 0.00 -1.26 -4.76 121.76 112.88 3n99 s ALA 175 Ca 0.05 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 3n99 s ALA 175 Cb 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3n99 s ALA 175 CO 0.77 -0.44 -0.14 0.15 0.00 0.00 0.00 175.76 176.09 3n99 s LYS 176 N -1.73 3.14 -0.19 0.00 1.02 -1.26 -1.40 119.74 119.32 3n99 s LYS 176 Ca -0.04 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 3n99 s LYS 176 Cb -0.00 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 3n99 s LYS 176 CO 0.01 -0.20 -0.03 0.42 -0.92 0.00 0.00 175.35 174.64 3n99 s ILE 177 N 1.33 3.69 0.59 2.17 1.01 0.22 -4.95 121.20 125.27 3n99 s ILE 177 Ca 0.05 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 3n99 s ILE 177 Cb -0.14 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 3n99 s ILE 177 CO -0.09 0.45 1.16 -2.84 0.00 0.00 0.00 174.94 173.62 3n99 s PRO 178 N 0.93 3.04 0.27 2.79 0.02 -1.26 -0.62 135.00 140.17 3n99 s PRO 178 Ca 0.00 1.65 -0.05 0.00 0.02 0.00 0.00 61.00 62.62 3n99 s PRO 178 Cb -0.15 -1.96 0.53 0.00 0.02 0.00 0.00 34.50 32.94 3n99 s PRO 178 CO 0.01 -1.11 1.61 0.00 -0.33 0.00 0.00 177.00 177.19 3n99 h ALA 179 N 0.77 0.88 0.00 -1.55 0.00 -1.85 -0.72 119.26 116.79 3n99 h ALA 179 Ca -0.49 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3n99 h ALA 179 Cb 1.27 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3n99 h ALA 179 CO 0.55 -0.46 0.00 -2.39 0.00 0.00 0.00 179.25 176.96 3n99 n HIS 180 N -5.41 0.45 1.69 0.00 1.44 -1.26 -1.15 115.22 110.98 3n99 n HIS 180 Ca 0.16 0.19 0.13 0.00 -2.01 0.00 0.00 57.72 56.19 3n99 n HIS 180 Cb 0.55 -0.81 0.62 0.00 0.12 0.00 0.00 29.99 30.48 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 -1.92 1.35 -3.71 -1.40 2.00 -0.28 -4.85 117.12 108.31 3n99 n MET 181 Ca 0.02 -0.52 -0.37 0.00 0.00 0.00 0.00 57.70 56.83 3n99 n MET 181 Cb 0.15 -1.43 -0.07 0.00 0.00 0.00 0.00 33.22 31.88 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 -1.96 3.84 0.00 0.03 -1.94 -0.30 0.56 119.30 119.54 3n99 s MET 182 Ca 0.38 -0.00 0.00 0.00 -1.71 0.00 0.00 55.69 54.35 3n99 s MET 182 Cb 0.19 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.74 3n99 s MET 182 CO 0.30 0.56 0.00 0.41 -0.01 0.00 0.00 175.02 176.28 3n99 n GLY 183 N 2.54 2.92 3.59 -0.03 0.00 0.29 -4.85 105.19 109.65 3n99 n GLY 183 Ca -0.16 -0.29 -0.56 0.00 0.00 0.00 0.00 46.02 45.00 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 1.20 0.00 1.61 2.88 -0.67 -1.34 113.62 117.30 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 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 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 2.53 2.51 3.67 0.46 0.00 -1.26 -1.16 105.19 111.93 3n99 n GLY 185 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.69 1.07 0.00 -0.61 5.41 -0.45 -1.02 119.36 123.07 3n99 n ILE 186 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.48 3n99 n ILE 186 Cb 0.00 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 2.00 0.82 3.56 7.39 0.00 -0.02 -5.00 105.19 113.94 3n99 n GLY 187 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.51 -0.32 -0.10 4.61 0.00 -0.19 -4.71 120.51 118.29 3n99 n ALA 188 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 53.44 53.63 3n99 n ALA 188 Cb 0.00 -1.99 0.32 0.00 0.00 0.00 0.00 19.45 17.78 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 1.18 0.66 -3.08 0.00 0.87 -1.92 -1.53 113.55 109.73 3n99 h SER 189 Ca -0.44 -0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 59.90 3n99 h SER 189 Cb 1.36 -0.17 -0.30 0.00 -0.44 0.00 0.00 62.40 62.85 3n99 h SER 189 CO 0.54 0.52 -0.46 -0.55 -0.53 0.00 0.00 176.83 176.35 3n99 s SER 190 N -6.55 -0.07 0.22 6.23 0.15 -1.26 -3.76 113.70 108.65 3n99 s SER 190 Ca -0.09 0.64 0.17 0.00 0.70 0.00 0.00 55.95 57.37 3n99 s SER 190 Cb 0.17 0.65 0.86 0.00 -1.71 0.00 0.00 66.02 65.99 3n99 s SER 190 CO 0.76 -0.20 1.53 -1.54 1.20 0.00 0.00 173.24 174.99 3n99 n SER 191 N 4.75 0.44 0.22 5.45 3.41 -0.22 -1.60 113.62 126.07 3n99 n SER 191 Ca -0.17 0.67 0.15 0.00 -0.26 0.00 0.00 58.87 59.26 3n99 n SER 191 Cb 0.52 -0.74 0.52 0.00 -0.26 0.00 0.00 64.21 64.25 3n99 n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n99 h ALA 192 N 2.11 1.00 0.00 7.33 0.00 -1.90 -3.37 119.26 124.42 3n99 h ALA 192 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n99 h ALA 192 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3n99 h ALA 192 CO 0.00 0.00 -0.03 -1.13 0.00 0.00 0.00 179.25 178.09 3n99 n SER 193 N -2.85 1.29 -3.77 0.00 3.41 -0.62 -4.24 113.62 106.83 3n99 n SER 193 Ca 0.02 -1.79 -0.09 0.00 -0.26 0.00 0.00 58.87 56.75 3n99 n SER 193 Cb 0.35 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 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 -0.81 0.02 0.42 6.66 -1.32 -1.22 -4.65 115.64 114.73 3n99 s THR 194 Ca 0.03 -0.85 0.06 0.00 -1.21 0.00 0.00 61.69 59.73 3n99 s THR 194 Cb 0.03 -1.69 0.01 0.00 -1.51 0.00 0.00 72.50 69.34 3n99 s THR 194 CO 0.00 -0.08 0.58 1.51 -2.21 0.00 0.00 174.62 174.43 3n99 s ASP 195 N -2.89 5.68 0.08 8.08 -4.77 -1.26 -4.65 116.67 116.93 3n99 s ASP 195 Ca 0.11 -0.28 -0.02 0.00 -3.30 0.00 0.00 52.55 49.05 3n99 s ASP 195 Cb -0.02 -0.85 -0.04 0.00 -1.09 0.00 0.00 42.92 40.93 3n99 s ASP 195 CO -0.00 -0.74 0.02 -0.72 0.70 0.00 0.00 175.17 174.42 3n99 s TYR 196 N -2.38 0.59 -0.11 2.11 1.13 -0.36 -4.72 117.35 113.61 3n99 s TYR 196 Ca 0.53 -1.07 -0.10 0.00 -1.41 0.00 0.00 57.07 55.02 3n99 s TYR 196 Cb -0.10 -0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 40.33 3n99 s TYR 196 CO 0.34 -0.44 0.22 -0.51 -2.51 0.00 0.00 175.55 172.64 3n99 s ASP 197 N -2.95 6.46 -0.35 -0.18 1.11 -0.31 -0.25 116.67 120.20 3n99 s ASP 197 Ca 0.12 0.55 -0.28 0.00 0.18 0.00 0.00 52.55 53.12 3n99 s ASP 197 Cb 0.07 -2.13 0.02 0.00 1.07 0.00 0.00 42.92 41.95 3n99 s ASP 197 CO -0.06 0.32 1.03 -0.63 1.18 0.00 0.00 175.17 177.00 3n99 s ILE 198 N -0.64 4.50 -1.01 0.77 1.01 0.18 -0.55 121.20 125.46 3n99 s ILE 198 Ca 0.16 1.50 -0.03 0.00 0.00 0.00 0.00 60.65 62.28 3n99 s ILE 198 Cb -0.13 -4.41 0.22 0.00 0.01 0.00 0.00 42.46 38.15 3n99 s ILE 198 CO 0.05 -0.55 2.19 1.15 0.00 0.00 0.00 174.94 177.78 3n99 n MET 199 N 6.94 4.31 -3.80 2.79 0.00 0.19 -2.95 117.12 124.61 3n99 n MET 199 Ca 0.10 -3.75 -0.36 0.00 0.00 0.00 0.00 57.70 53.69 3n99 n MET 199 Cb 0.48 -2.44 -0.11 0.00 0.00 0.00 0.00 33.22 31.14 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 -2.85 3.36 0.29 3.17 0.00 -1.26 -4.87 121.76 119.59 3n99 s ALA 200 Ca 0.49 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.57 3n99 s ALA 200 Cb 0.26 -2.13 0.44 0.00 0.00 0.00 0.00 23.12 21.68 3n99 s ALA 200 CO -0.18 -0.26 1.67 0.77 0.00 0.00 0.00 175.76 177.77 3n99 h SER 201 N 7.70 0.10 -4.40 0.00 0.02 -1.90 -3.45 113.55 111.62 3n99 h SER 201 Ca -0.37 -0.05 -0.29 0.00 -0.84 0.00 0.00 61.79 60.24 3n99 h SER 201 Cb 1.18 -0.03 -0.24 0.00 0.14 0.00 0.00 62.40 63.45 3n99 h SER 201 CO 0.62 0.60 -0.74 0.20 -1.14 0.00 0.00 176.83 176.37 3n99 s ASN 202 N -6.88 0.71 0.55 3.07 -0.87 -1.26 -5.01 114.94 105.24 3n99 s ASN 202 Ca -0.03 -0.35 0.22 0.00 -1.57 0.00 0.00 52.86 51.13 3n99 s ASN 202 Cb 0.13 -0.00 1.46 0.00 -0.02 0.00 0.00 41.25 42.81 3n99 s ASN 202 CO 0.76 -0.10 2.13 1.55 -2.57 0.00 0.00 177.10 178.88 3n99 h PRO 203 N 5.16 0.00 -0.19 -0.60 0.13 -1.86 -1.40 132.00 133.24 3n99 h PRO 203 Ca -0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 3n99 h PRO 203 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3n99 h PRO 203 CO 0.45 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.03 3n99 h GLU 204 N 0.00 0.30 0.00 0.86 3.07 -1.81 0.17 114.58 117.16 3n99 h GLU 204 Ca 0.06 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3n99 h GLU 204 Cb 0.26 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3n99 h GLU 204 CO -0.00 0.43 0.17 -0.44 -1.40 0.00 0.00 179.01 177.77 3n99 h ASP 205 N 0.28 0.00 -0.43 1.42 3.32 -1.54 0.32 116.42 119.79 3n99 h ASP 205 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3n99 h ASP 205 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3n99 h ASP 205 CO 0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 3n99 n LEU 206 N -2.86 3.55 -0.72 1.55 4.77 0.58 -4.96 117.00 118.91 3n99 n LEU 206 Ca -0.02 -1.56 -0.09 0.00 -0.03 0.00 0.00 56.01 54.30 3n99 n LEU 206 Cb 0.22 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3n99 n LEU 206 CO 0.15 0.78 -0.09 0.61 -1.33 0.00 0.00 177.39 177.51 3n99 n GLY 207 N 1.53 1.11 3.37 -0.72 0.00 0.11 -4.87 105.19 105.71 3n99 n GLY 207 Ca 0.20 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.34 1.43 -0.08 1.61 -7.23 -1.15 -5.01 120.40 107.62 3n99 s VAL 208 Ca 0.00 -2.10 0.14 0.00 -1.81 0.00 0.00 61.98 58.21 3n99 s VAL 208 Cb 0.00 -2.31 -0.12 0.00 0.56 0.00 0.00 36.38 34.51 3n99 s VAL 208 CO 0.00 -0.39 0.98 0.00 -0.31 0.00 0.00 175.10 175.38 3n99 h ALA 209 N 2.42 0.64 -2.62 1.32 0.00 -1.96 -2.86 119.26 116.21 3n99 h ALA 209 Ca -0.39 -0.89 -0.07 0.00 0.00 0.00 0.00 54.91 53.56 3n99 h ALA 209 Cb 1.22 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 19.06 3n99 h ALA 209 CO 0.65 1.03 -0.19 0.34 0.00 0.00 0.00 179.25 181.08 3n99 s ASP 210 N -6.10 -0.13 -0.04 0.00 2.15 -1.26 -4.80 116.67 106.50 3n99 s ASP 210 Ca -0.01 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.64 3n99 s ASP 210 Cb 0.08 0.41 0.02 0.00 -0.30 0.00 0.00 42.92 43.14 3n99 s ASP 210 CO 0.80 -0.74 -0.02 -0.22 -0.17 0.00 0.00 175.17 174.83 3n99 s LEU 211 N -2.54 1.17 0.07 -1.34 2.96 -1.26 -5.02 118.68 112.72 3n99 s LEU 211 Ca 0.00 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3n99 s LEU 211 Cb 0.02 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 3n99 s LEU 211 CO -0.08 -0.09 0.04 -0.54 -1.32 0.00 0.00 176.35 174.35 3n99 s LYS 212 N 1.07 2.74 0.19 1.98 1.02 -1.26 -0.74 119.74 124.73 3n99 s LYS 212 Ca -0.09 -0.73 -0.32 0.00 0.02 0.00 0.00 55.97 54.85 3n99 s LYS 212 Cb -0.14 -2.65 -0.12 0.00 -0.52 0.00 0.00 37.83 34.41 3n99 s LYS 212 CO -0.01 0.57 1.76 -0.51 -0.92 0.00 0.00 175.35 176.23 3n99 s LEU 213 N -2.23 4.38 0.00 3.17 1.43 0.49 -1.80 118.68 124.12 3n99 s LEU 213 Ca 0.26 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.22 3n99 s LEU 213 Cb -0.12 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3n99 s LEU 213 CO 0.19 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.39 3n99 n GLY 214 N 4.05 0.71 3.77 -3.19 0.00 0.07 -0.61 105.19 110.00 3n99 n GLY 214 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.95 6.64 -0.19 1.61 1.01 -0.75 -1.00 116.67 121.04 3n99 s ASP 215 Ca 0.00 2.22 -0.15 0.00 0.71 0.00 0.00 52.55 55.33 3n99 s ASP 215 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3n99 s ASP 215 CO 0.00 -0.59 0.36 -0.63 0.21 0.00 0.00 175.17 174.52 3n99 s ILE 216 N -1.49 5.24 0.22 0.77 1.01 0.08 -1.02 121.20 126.00 3n99 s ILE 216 Ca 0.57 0.64 0.06 0.00 0.00 0.00 0.00 60.65 61.91 3n99 s ILE 216 Cb -0.27 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3n99 s ILE 216 CO 0.34 0.29 -0.08 0.68 0.00 0.00 0.00 174.94 176.18 3n99 s VAL 217 N 1.07 1.41 -0.08 2.92 -7.23 -0.17 -0.84 120.40 117.48 3n99 s VAL 217 Ca 0.18 -2.11 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3n99 s VAL 217 Cb -0.14 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 3n99 s VAL 217 CO 0.07 -0.49 -0.05 0.00 -0.31 0.00 0.00 175.10 174.32 3n99 s ALA 218 N -3.17 3.03 -0.26 1.32 0.00 -0.49 -0.97 121.76 121.22 3n99 s ALA 218 Ca 0.24 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 3n99 s ALA 218 Cb 0.03 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.84 3n99 s ALA 218 CO 0.07 0.52 -0.01 0.42 0.00 0.00 0.00 175.76 176.76 3n99 s ILE 219 N -0.63 3.36 0.10 0.00 1.01 0.12 -0.61 121.20 124.55 3n99 s ILE 219 Ca 0.10 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 3n99 s ILE 219 Cb -0.12 -2.68 -0.06 0.00 0.01 0.00 0.00 42.46 39.62 3n99 s ILE 219 CO 0.02 0.21 0.92 -1.10 0.00 0.00 0.00 174.94 174.98 3n99 s GLN 220 N 1.42 4.66 -1.20 2.79 -0.21 0.21 -1.26 119.66 126.06 3n99 s GLN 220 Ca 0.02 1.37 0.00 0.00 0.02 0.00 0.00 55.36 56.77 3n99 s GLN 220 Cb -0.16 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.48 3n99 s GLN 220 CO -0.02 0.24 0.00 -0.25 -2.12 0.00 0.00 175.29 173.14 3n99 n ASP 221 N 2.74 -4.23 -4.10 5.90 8.00 0.27 -2.62 116.55 122.50 3n99 n ASP 221 Ca 0.01 0.10 -0.31 0.00 0.71 0.00 0.00 54.79 55.30 3n99 n ASP 221 Cb 0.49 -3.23 -0.16 0.00 -0.02 0.00 0.00 41.12 38.20 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 -2.59 2.45 -0.04 1.24 3.76 -1.25 -0.93 115.29 117.92 3n99 s HIS 222 Ca 0.00 -1.31 -0.21 0.00 -0.15 0.00 0.00 55.06 53.40 3n99 s HIS 222 Cb 0.00 -1.71 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 3n99 s HIS 222 CO 0.00 -0.64 0.59 0.34 -0.85 0.00 0.00 174.74 174.18 3n99 s ASP 223 N 1.10 6.91 -0.15 1.40 2.15 -0.09 -3.40 116.67 124.60 3n99 s ASP 223 Ca -0.02 1.09 0.15 0.00 0.43 0.00 0.00 52.55 54.20 3n99 s ASP 223 Cb -0.14 -2.36 0.42 0.00 -0.30 0.00 0.00 42.92 40.54 3n99 s ASP 223 CO -0.06 0.03 1.21 0.59 -0.17 0.00 0.00 175.17 176.76 3n99 n ASN 224 N 3.17 1.51 -0.27 -0.34 3.02 -1.26 -2.31 115.26 118.77 3n99 n ASN 224 Ca -0.06 -3.36 -0.00 0.00 -0.03 0.00 0.00 54.58 51.13 3n99 n ASN 224 Cb 0.51 -0.46 0.20 0.00 -0.61 0.00 0.00 39.78 39.42 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 1.00 0.97 0.00 6.41 0.02 -1.94 -3.43 113.55 116.58 3n99 h SER 225 Ca -0.07 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3n99 h SER 225 Cb 1.26 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3n99 h SER 225 CO 0.03 0.70 0.00 -1.22 -1.14 0.00 0.00 176.83 175.20 3n99 n TYR 226 N -4.41 0.00 -1.40 3.45 4.01 -1.26 -4.91 117.16 112.64 3n99 n TYR 226 Ca 0.10 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.54 3n99 n TYR 226 Cb 0.03 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.00 1.59 -0.07 2.72 0.00 -1.25 -1.06 107.32 108.26 3n99 s GLY 227 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 44.72 44.20 3n99 s GLY 227 CO 0.00 0.20 0.58 0.14 0.00 0.00 0.00 173.10 174.03 3n99 s VAL 228 N -3.11 5.07 0.00 1.40 1.01 -0.57 -4.47 120.40 119.72 3n99 s VAL 228 Ca 0.63 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3n99 s VAL 228 Cb -0.16 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3n99 s VAL 228 CO 0.55 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.59 3n99 n GLY 229 N 2.98 0.72 3.63 4.51 0.00 -1.24 -0.84 105.19 114.95 3n99 n GLY 229 Ca -0.05 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.18 3.89 0.04 1.61 2.47 -0.98 -4.78 119.74 117.82 3n99 s LYS 230 Ca 0.00 1.52 -0.30 0.00 -1.56 0.00 0.00 55.97 55.63 3n99 s LYS 230 Cb 0.00 -3.95 -0.07 0.00 -1.46 0.00 0.00 37.83 32.35 3n99 s LYS 230 CO 0.00 -1.16 1.55 -0.47 0.16 0.00 0.00 175.35 175.43 3n99 s TYR 231 N 4.69 2.59 -0.20 4.03 5.04 -1.26 -0.91 117.35 131.32 3n99 s TYR 231 Ca 0.64 0.52 -0.08 0.00 -2.44 0.00 0.00 57.07 55.71 3n99 s TYR 231 Cb -0.22 -3.84 0.08 0.00 0.35 0.00 0.00 41.96 38.34 3n99 s TYR 231 CO 0.26 -3.29 0.44 0.50 -1.34 0.00 0.00 175.55 172.12 3n99 s ARG 232 N 2.58 0.37 0.17 4.97 3.52 -0.11 -4.91 118.95 125.53 3n99 s ARG 232 Ca 0.70 1.00 -0.32 0.00 -0.13 0.00 0.00 55.73 56.99 3n99 s ARG 232 Cb -0.36 0.26 -0.10 0.00 -1.56 0.00 0.00 34.95 33.19 3n99 s ARG 232 CO 0.30 -0.22 1.63 0.21 -0.81 0.00 0.00 175.30 176.40 3n99 s LYS 233 N 2.28 4.19 0.00 5.12 2.20 -1.26 -1.34 119.74 130.93 3n99 s LYS 233 Ca -0.04 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 3n99 s LYS 233 Cb -0.11 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 3n99 s LYS 233 CO -0.13 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 3n99 n GLY 234 N 3.85 2.17 3.82 5.54 0.00 -1.26 -5.04 105.19 114.27 3n99 n GLY 234 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.39 2.88 -0.03 4.61 0.00 -0.45 -0.28 121.76 126.11 3n99 s ALA 235 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 3n99 s ALA 235 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3n99 s ALA 235 CO 0.00 -0.56 0.07 0.54 0.00 0.00 0.00 175.76 175.80 3n99 s VAL 236 N -2.51 -0.00 0.10 0.00 0.11 -0.01 -0.57 120.40 117.51 3n99 s VAL 236 Ca 0.62 0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.77 3n99 s VAL 236 Cb -0.14 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 3n99 s VAL 236 CO 0.34 0.01 -0.23 -0.44 -3.33 0.00 0.00 175.10 171.45 3n99 s SER 237 N 0.13 2.81 -0.10 3.54 0.01 -0.39 -1.91 113.70 117.80 3n99 s SER 237 Ca -0.01 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.59 3n99 s SER 237 Cb -0.01 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 3n99 s SER 237 CO -0.00 0.12 -0.16 -0.63 0.41 0.00 0.00 173.24 172.98 3n99 s ILE 238 N -1.06 2.85 0.26 1.44 -1.09 0.55 0.12 121.20 124.27 3n99 s ILE 238 Ca 0.09 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 3n99 s ILE 238 Cb -0.10 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 3n99 s ILE 238 CO 0.04 0.55 0.20 -0.83 -1.23 0.00 0.00 174.94 173.67 3n99 s GLY 239 N 0.00 1.87 -0.11 6.18 0.00 -0.14 0.13 107.32 115.25 3n99 s GLY 239 Ca -0.05 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 42.82 3n99 s GLY 239 CO 0.04 -1.44 -0.20 0.14 0.00 0.00 0.00 173.10 171.64 3n99 s VAL 240 N -3.82 1.86 0.10 1.40 1.01 -0.02 -1.00 120.40 119.92 3n99 s VAL 240 Ca 0.40 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 3n99 s VAL 240 Cb 0.05 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 3n99 s VAL 240 CO 0.19 0.51 1.35 -0.69 0.00 0.00 0.00 175.10 176.47 3n99 s VAL 241 N 0.67 3.48 0.00 2.92 1.01 -0.19 -1.10 120.40 127.19 3n99 s VAL 241 Ca -0.12 1.06 0.00 0.00 0.00 0.00 0.00 61.98 62.92 3n99 s VAL 241 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3n99 s VAL 241 CO 0.02 0.08 0.00 1.33 0.00 0.00 0.00 175.10 176.53 3n99 n VAL 242 N 3.98 0.00 -4.20 2.92 0.24 0.16 -0.75 118.33 120.68 3n99 n VAL 242 Ca 0.11 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.34 62.20 3n99 n VAL 242 Cb 0.43 0.48 -0.08 0.00 -1.47 0.00 0.00 33.84 33.19 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 -1.40 1.30 0.90 6.34 -3.43 -1.25 -4.47 115.29 113.28 3n99 s HIS 243 Ca 0.00 -1.42 -0.14 0.00 -0.80 0.00 0.00 55.06 52.70 3n99 s HIS 243 Cb 0.00 -0.51 0.15 0.00 -1.43 0.00 0.00 32.58 30.79 3n99 s HIS 243 CO 0.00 -0.80 1.24 -1.54 -2.00 0.00 0.00 174.74 171.64 3n99 s SER 244 N -3.23 3.65 0.98 7.38 1.04 0.05 -3.23 113.70 120.33 3n99 s SER 244 Ca 0.37 0.55 -0.12 0.00 0.48 0.00 0.00 55.95 57.24 3n99 s SER 244 Cb 0.04 -0.84 0.18 0.00 0.10 0.00 0.00 66.02 65.50 3n99 s SER 244 CO 0.18 -2.42 1.09 0.00 0.98 0.00 0.00 173.24 173.06 3n99 s ALA 245 N -3.68 1.01 0.10 5.32 0.00 0.19 -3.72 121.76 120.98 3n99 s ALA 245 Ca 0.68 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3n99 s ALA 245 Cb -0.08 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3n99 s ALA 245 CO 0.51 -2.78 -0.07 0.00 0.00 0.00 0.00 175.76 173.42 3n99 n VAL 247 N 0.12 0.11 -3.28 0.00 0.24 -1.26 -4.74 118.33 109.52 3n99 n VAL 247 Ca -0.13 -0.48 -0.27 0.00 -2.04 0.00 0.00 64.34 61.42 3n99 n VAL 247 Cb 0.60 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.94 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 -4.58 6.38 0.26 -1.34 0.01 -1.24 -2.06 113.70 111.13 3n99 s SER 248 Ca -0.06 0.66 -0.31 0.00 1.31 0.00 0.00 55.95 57.55 3n99 s SER 248 Cb 0.13 -2.12 -0.13 0.00 0.21 0.00 0.00 66.02 64.12 3n99 s SER 248 CO 0.88 -0.26 1.50 0.00 0.41 0.00 0.00 173.24 175.77 3n99 n ALA 249 N -1.31 1.75 -0.54 1.44 0.00 -1.26 -2.12 120.51 118.47 3n99 n ALA 249 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3n99 n ALA 249 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 2.28 1.18 3.66 0.00 0.00 -1.26 -5.00 105.19 106.04 3n99 n GLY 250 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.26 2.64 -2.14 1.61 0.09 -0.90 -1.66 115.29 111.67 3n99 s HIS 251 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 55.06 54.72 3n99 s HIS 251 Cb 0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 32.58 31.17 3n99 s HIS 251 CO 0.00 0.50 0.00 0.41 -0.00 0.00 0.00 174.74 175.65 3n99 n GLY 252 N -0.98 -1.36 3.73 -2.22 0.00 -1.24 -4.42 105.19 98.69 3n99 n GLY 252 Ca -0.05 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.04 2.45 -3.15 1.61 -0.02 -1.15 -4.36 135.00 130.35 3n99 n PRO 253 Ca 0.00 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.03 3n99 n PRO 253 Cb 0.00 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 30.84 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 0.21 2.31 -0.09 -1.23 0.00 -1.20 -0.65 107.32 106.67 3n99 s GLY 254 Ca 0.62 0.01 0.02 0.00 0.00 0.00 0.00 44.72 45.36 3n99 s GLY 254 CO 0.54 0.20 -0.13 0.14 0.00 0.00 0.00 173.10 173.86 3n99 s VAL 255 N -1.99 1.25 -0.23 1.40 1.01 0.66 0.36 120.40 122.85 3n99 s VAL 255 Ca 0.54 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 3n99 s VAL 255 Cb -0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3n99 s VAL 255 CO 0.18 0.39 0.27 -0.69 0.00 0.00 0.00 175.10 175.25 3n99 s VAL 256 N 0.94 5.28 0.17 2.92 1.01 -0.26 -1.22 120.40 129.25 3n99 s VAL 256 Ca -0.09 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 3n99 s VAL 256 Cb -0.15 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 3n99 s VAL 256 CO 0.00 0.29 1.06 -0.69 0.00 0.00 0.00 175.10 175.76 3n99 s VAL 257 N 1.27 4.01 -0.10 2.92 1.01 -1.26 -0.84 120.40 127.40 3n99 s VAL 257 Ca 0.12 1.73 0.03 0.00 0.00 0.00 0.00 61.98 63.86 3n99 s VAL 257 Cb -0.14 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3n99 s VAL 257 CO 0.06 0.30 0.11 2.30 0.00 0.00 0.00 175.10 177.87 3n99 n ILE 258 N 2.40 0.00 -3.67 2.22 -5.35 0.12 -4.46 119.36 110.62 3n99 n ILE 258 Ca 0.02 -0.33 -0.14 0.00 -0.27 0.00 0.00 62.75 62.03 3n99 n ILE 258 Cb 0.47 0.85 -0.08 0.00 -1.74 0.00 0.00 39.64 39.14 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 -1.53 0.70 -0.05 6.28 0.00 -0.99 -1.85 119.30 121.87 3n99 s MET 259 Ca 0.01 0.80 -0.15 0.00 0.00 0.00 0.00 55.69 56.35 3n99 s MET 259 Cb 0.02 0.34 0.03 0.00 0.00 0.00 0.00 34.83 35.22 3n99 s MET 259 CO 0.12 -0.09 0.34 -0.08 0.00 0.00 0.00 175.02 175.31 3n99 s THR 260 N 0.25 0.04 -2.19 10.11 -1.32 -0.22 -0.33 115.64 121.98 3n99 s THR 260 Ca -0.00 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 3n99 s THR 260 Cb -0.04 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 3n99 s THR 260 CO 0.01 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 3n99 n GLY 261 N 1.78 -0.64 3.90 6.08 0.00 -0.80 -0.98 105.19 114.51 3n99 n GLY 261 Ca -0.19 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 6.29 0.61 1.61 2.15 -1.26 -0.83 116.67 121.23 3n99 s ASP 262 Ca 0.00 0.30 0.33 0.00 0.43 0.00 0.00 52.55 53.61 3n99 s ASP 262 Cb 0.00 -1.94 1.97 0.00 -0.30 0.00 0.00 42.92 42.64 3n99 s ASP 262 CO 0.00 0.23 2.28 1.05 -0.17 0.00 0.00 175.17 178.57 3n99 h GLU 263 N 3.62 0.00 0.00 4.34 4.11 -0.87 -0.96 114.58 124.82 3n99 h GLU 263 Ca -0.48 0.00 -0.01 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 0.70 0.00 -0.03 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 -1.95 -3.34 113.55 115.96 3n99 h SER 264 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3n99 h SER 264 Cb 0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 3n99 h SER 264 CO 0.00 0.03 -1.78 0.29 -0.87 0.00 0.00 176.83 174.50 3n99 n LYS 265 N -3.15 1.20 -3.71 4.77 4.76 -0.48 -4.92 118.16 116.63 3n99 n LYS 265 Ca 0.00 0.04 -0.37 0.00 -2.87 0.00 0.00 58.31 55.11 3n99 n LYS 265 Cb 0.29 -1.28 -0.12 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.28 4.56 -0.50 -0.18 1.01 -0.51 -0.60 121.20 122.70 3n99 s ILE 266 Ca -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 3n99 s ILE 266 Cb 0.04 -3.17 0.13 0.00 0.01 0.00 0.00 42.46 39.48 3n99 s ILE 266 CO 0.38 0.28 0.29 -0.76 0.00 0.00 0.00 174.94 175.14 3n99 s LEU 267 N 1.64 5.08 0.20 2.97 1.43 0.14 -4.51 118.68 125.65 3n99 s LEU 267 Ca 0.06 -2.50 -0.30 0.00 -1.03 0.00 0.00 54.13 50.36 3n99 s LEU 267 Cb -0.16 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 3n99 s LEU 267 CO 0.06 -0.42 1.29 -2.84 0.23 0.00 0.00 176.35 174.67 3n99 s PRO 268 N 0.45 4.41 -0.20 1.29 0.02 -1.26 -1.46 135.00 138.25 3n99 s PRO 268 Ca 0.13 2.03 0.02 0.00 0.02 0.00 0.00 61.00 63.20 3n99 s PRO 268 Cb -0.22 -3.19 0.03 0.00 0.02 0.00 0.00 34.50 31.14 3n99 s PRO 268 CO -0.04 -0.22 -0.16 -1.21 -0.33 0.00 0.00 177.00 175.04 3n99 s GLU 269 N -0.24 2.67 -0.11 5.54 2.02 0.42 -4.87 118.70 124.13 3n99 s GLU 269 Ca 0.55 -0.96 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 3n99 s GLU 269 Cb -0.36 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 3n99 s GLU 269 CO 0.39 -0.33 1.17 -2.00 0.02 0.00 0.00 175.26 174.51 3n99 s GLU 270 N 1.26 4.32 0.37 1.61 2.12 -1.26 -1.10 118.70 126.01 3n99 s GLU 270 Ca 0.01 1.59 0.04 0.00 0.36 0.00 0.00 54.97 56.96 3n99 s GLU 270 Cb -0.15 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 3n99 s GLU 270 CO -0.10 -0.51 0.11 0.14 -0.54 0.00 0.00 175.26 174.36 3n99 s VAL 271 N 2.62 0.71 0.17 3.70 -7.23 0.05 -4.92 120.40 115.49 3n99 s VAL 271 Ca 0.53 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3n99 s VAL 271 Cb -0.22 -2.49 -0.12 0.00 0.56 0.00 0.00 36.38 34.11 3n99 s VAL 271 CO 0.18 0.00 1.41 1.05 -0.31 0.00 0.00 175.10 177.43 3n99 h GLU 272 N 1.95 0.33 -3.61 4.82 9.09 -1.94 -3.40 114.58 121.82 3n99 h GLU 272 Ca -0.37 -0.30 -0.26 0.00 0.05 0.00 0.00 59.36 58.48 3n99 h GLU 272 Cb 1.26 0.07 -0.31 0.00 -1.65 0.00 0.00 28.75 28.13 3n99 h GLU 272 CO 0.59 0.97 -0.72 0.50 0.05 0.00 0.00 179.01 180.41 3n99 s ARG 273 N -3.46 -0.01 -0.35 1.06 3.52 -1.26 -4.97 118.95 113.47 3n99 s ARG 273 Ca -0.05 0.11 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 3n99 s ARG 273 Cb 0.10 -0.13 0.18 0.00 -1.56 0.00 0.00 34.95 33.54 3n99 s ARG 273 CO 0.84 -0.09 0.55 0.00 -0.81 0.00 0.00 175.30 175.79 3n99 s ALA 274 N 0.57 -1.94 -0.03 6.12 0.00 -1.26 -4.92 121.76 120.29 3n99 s ALA 274 Ca -0.05 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 3n99 s ALA 274 Cb -0.07 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.60 3n99 s ALA 274 CO -0.02 -2.01 0.06 1.21 0.00 0.00 0.00 175.76 175.00 3n99 s ASN 275 N 2.22 0.02 0.50 0.00 3.84 -1.26 -0.74 114.94 119.53 3n99 s ASN 275 Ca 0.13 0.11 0.34 0.00 0.21 0.00 0.00 52.86 53.65 3n99 s ASN 275 Cb -0.09 0.00 1.63 0.00 -0.55 0.00 0.00 41.25 42.24 3n99 s ASN 275 CO -0.16 -0.13 2.01 0.16 -2.79 0.00 0.00 177.10 176.19 3n99 h ILE 276 N 6.21 0.00 0.00 -5.21 3.07 -1.41 -2.49 117.51 117.68 3n99 h ILE 276 Ca -0.45 -0.20 -0.02 0.00 1.55 0.00 0.00 64.86 65.74 3n99 h ILE 276 Cb 1.13 1.06 -0.00 0.00 -0.27 0.00 0.00 36.82 38.74 3n99 h ILE 276 CO 0.47 0.00 -0.09 0.77 -1.05 0.00 0.00 178.15 178.24 3n99 h SER 277 N 0.00 0.00 0.60 2.16 4.64 -1.90 -1.06 113.55 118.00 3n99 h SER 277 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n99 h SER 277 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3n99 h SER 277 CO 0.00 0.09 0.00 0.44 -0.87 0.00 0.00 176.83 176.49 3n99 h ASP 278 N 0.00 0.00 -0.02 4.97 3.32 -1.85 -3.06 116.42 119.78 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 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3n99 h ASP 278 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 3n99 n TYR 279 N -2.59 0.02 0.61 4.55 4.01 -0.43 -5.15 117.16 118.17 3n99 n TYR 279 Ca 0.00 -0.04 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 3n99 n TYR 279 Cb 0.20 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.29 3n99 n TYR 279 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68