#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sms h HIS 4 N 0.00 0.00 -0.23 0.00 -0.00 -2.03 -0.81 115.15 112.08 1sms h HIS 4 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.20 1sms h HIS 4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1sms h HIS 4 CO 0.00 0.00 -0.52 -0.91 -0.00 0.00 0.00 177.93 176.50 1sms h ASN 5 N 0.00 0.86 -1.13 3.26 2.35 -2.01 -3.08 115.58 115.82 1sms h ASN 5 Ca 0.18 -0.56 0.32 0.00 -0.55 0.00 0.00 56.30 55.70 1sms h ASN 5 Cb 0.80 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.84 1sms h ASN 5 CO -0.00 1.26 0.77 1.56 -1.65 0.00 0.00 177.43 179.37 1sms h GLN 6 N 0.50 0.18 0.11 0.81 4.20 -1.56 1.54 115.11 120.88 1sms h GLN 6 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1sms h GLN 6 Cb 1.13 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1sms h GLN 6 CO 0.11 0.12 -0.05 0.35 -0.67 0.00 0.00 178.83 178.69 1sms h PHE 7 N 0.18 -0.14 0.00 2.96 3.57 -1.58 -3.05 116.94 118.88 1sms h PHE 7 Ca 0.60 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1sms h PHE 7 Cb 1.95 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.74 1sms h PHE 7 CO -0.00 0.36 0.00 1.28 -2.23 0.00 0.00 178.31 177.72 1sms n LEU 8 N -4.88 0.32 0.12 0.59 4.77 0.10 -1.15 117.00 116.88 1sms n LEU 8 Ca -0.08 0.60 -0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1sms n LEU 8 Cb 0.28 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1sms n LEU 8 CO 0.28 -0.50 0.40 0.50 -1.33 0.00 0.00 177.39 176.74 1sms h LYS 9 N 0.00 0.00 0.00 3.23 3.64 0.20 -2.95 116.57 120.70 1sms h LYS 9 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sms h LYS 9 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1sms h LYS 9 CO 0.00 0.64 0.00 2.41 -2.27 0.00 0.00 179.45 180.23 1sms n THR 10 N -3.32 1.03 -1.48 1.00 -1.04 -0.30 -2.78 114.28 107.38 1sms n THR 10 Ca 0.01 0.31 0.07 0.00 -2.04 0.00 0.00 64.05 62.39 1sms n THR 10 Cb 0.77 -1.17 0.12 0.00 -1.82 0.00 0.00 70.33 68.22 1sms n THR 10 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1sms n PHE 11 N -1.86 0.00 0.33 -1.42 3.01 -1.12 -4.83 117.46 111.58 1sms n PHE 11 Ca 0.02 -0.86 0.00 0.00 1.01 0.00 0.00 57.45 57.62 1sms n PHE 11 Cb 0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1sms n PHE 11 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1sms n GLN 12 N -0.93 0.33 0.00 -1.08 1.13 -1.12 -1.08 117.38 114.63 1sms n GLN 12 Ca 0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1sms n GLN 12 Cb 0.70 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.83 1sms n GLN 12 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sms n LYS 13 N 0.52 4.09 0.00 -1.09 4.01 -1.26 -4.59 118.16 119.84 1sms n LYS 13 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 1sms n LYS 13 Cb 0.11 -0.57 -0.02 0.00 -0.51 0.00 0.00 35.03 34.04 1sms n LYS 13 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1sms n GLU 14 N -0.33 2.31 -0.09 1.97 0.28 -0.73 -3.96 120.64 120.09 1sms n GLU 14 Ca 0.00 -0.46 0.05 0.00 -0.16 0.00 0.00 57.16 56.59 1sms n GLU 14 Cb 0.02 -1.13 0.10 0.00 1.43 0.00 0.00 31.44 31.86 1sms n GLU 14 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1sms n ARG 15 N -0.55 1.76 -0.12 3.44 1.85 -0.24 -3.77 116.66 119.03 1sms n ARG 15 Ca 0.04 -1.61 -0.26 0.00 -1.00 0.00 0.00 57.85 55.02 1sms n ARG 15 Cb 0.24 -1.23 -0.11 0.00 -1.05 0.00 0.00 32.46 30.31 1sms n ARG 15 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1sms n HIS 16 N 0.52 0.36 0.29 2.89 -0.00 -1.26 -3.82 115.22 114.20 1sms n HIS 16 Ca 0.09 0.14 0.18 0.00 0.46 0.00 0.00 57.72 58.59 1sms n HIS 16 Cb 0.35 -1.04 0.98 0.00 -0.12 0.00 0.00 29.99 30.16 1sms n HIS 16 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1sms h ASP 17 N -0.87 0.00 0.07 0.26 3.45 -1.75 -1.91 116.42 115.67 1sms h ASP 17 Ca -0.58 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.88 1sms h ASP 17 Cb 1.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 1sms h ASP 17 CO -0.31 0.00 -0.03 0.24 -1.57 0.00 0.00 179.24 177.56 1sms h MET 18 N 0.00 -0.09 -0.24 3.56 2.86 -1.70 -2.12 114.93 117.20 1sms h MET 18 Ca 0.02 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1sms h MET 18 Cb 0.16 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1sms h MET 18 CO -0.00 0.48 -0.00 0.87 1.06 0.00 0.00 176.91 179.32 1sms h LYS 19 N -0.81 0.07 -0.07 1.72 1.57 -1.57 0.32 116.57 117.81 1sms h LYS 19 Ca -0.01 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1sms h LYS 19 Cb 0.61 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1sms h LYS 19 CO 0.02 0.05 0.29 1.49 -0.57 0.00 0.00 179.45 180.72 1sms h GLU 20 N 0.07 0.00 0.00 3.15 4.57 -1.41 0.22 114.58 121.18 1sms h GLU 20 Ca 0.12 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 1sms h GLU 20 Cb 0.15 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1sms h GLU 20 CO -0.20 0.00 -2.05 0.00 -1.18 0.00 0.00 179.01 175.59 1sms n ALA 21 N -2.02 2.54 -0.34 2.92 0.00 0.42 -4.37 120.51 119.67 1sms n ALA 21 Ca -0.01 -0.67 0.17 0.00 0.00 0.00 0.00 53.44 52.94 1sms n ALA 21 Cb 0.36 -0.65 0.40 0.00 0.00 0.00 0.00 19.45 19.56 1sms n ALA 21 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1sms h GLU 22 N 0.00 0.58 -0.80 0.00 5.08 0.29 0.43 114.58 120.16 1sms h GLU 22 Ca -0.11 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.40 1sms h GLU 22 Cb 1.24 -0.13 -0.12 0.00 0.50 0.00 0.00 28.75 30.25 1sms h GLU 22 CO 0.01 0.38 0.24 0.87 -1.00 0.00 0.00 179.01 179.50 1sms h LYS 23 N 0.59 0.29 -0.61 2.33 1.57 -1.76 0.65 116.57 119.63 1sms h LYS 23 Ca 0.60 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 1sms h LYS 23 Cb 1.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1sms h LYS 23 CO -0.38 0.19 0.00 -0.25 -0.57 0.00 0.00 179.45 178.44 1sms n ASP 24 N -5.14 1.75 -4.44 0.86 8.00 0.15 -4.68 116.55 113.06 1sms n ASP 24 Ca 0.17 -2.15 -0.44 0.00 0.71 0.00 0.00 54.79 53.09 1sms n ASP 24 Cb 0.53 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1sms n ASP 24 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1sms s GLU 25 N -1.57 3.12 0.55 -1.24 -6.30 0.23 -4.89 118.70 108.59 1sms s GLU 25 Ca 0.14 -0.91 0.22 0.00 -2.50 0.00 0.00 54.97 51.92 1sms s GLU 25 Cb 0.09 -4.20 1.49 0.00 0.00 0.00 0.00 34.13 31.51 1sms s GLU 25 CO 0.06 -1.63 2.17 -0.84 0.02 0.00 0.00 175.26 175.05 1sms h ILE 26 N 5.95 0.79 0.00 -3.70 -0.00 -1.84 0.22 117.51 118.93 1sms h ILE 26 Ca -0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.57 1sms h ILE 26 Cb 1.08 0.97 -0.00 0.00 -0.00 0.00 0.00 36.82 38.87 1sms h ILE 26 CO 1.12 0.00 -0.02 0.25 -0.00 0.00 0.00 178.15 179.51 1sms h LEU 27 N 0.00 0.00 -2.59 0.16 5.85 -1.94 0.22 115.31 117.01 1sms h LEU 27 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sms h LEU 27 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1sms h LEU 27 CO -0.00 0.02 0.00 0.18 -0.34 0.00 0.00 178.44 178.30 1sms n LEU 28 N -3.74 2.67 -3.28 2.25 4.77 -0.05 -2.36 117.00 117.26 1sms n LEU 28 Ca -0.03 -1.80 -0.27 0.00 -0.03 0.00 0.00 56.01 53.88 1sms n LEU 28 Cb 0.10 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1sms n LEU 28 CO 0.27 0.65 2.27 0.80 -1.33 0.00 0.00 177.39 180.05 1sms n MET 29 N 0.48 1.90 -1.08 3.23 1.56 0.78 -4.87 117.12 119.13 1sms n MET 29 Ca 0.10 -1.54 -0.42 0.00 -0.27 0.00 0.00 57.70 55.57 1sms n MET 29 Cb 0.39 -2.56 -0.11 0.00 2.15 0.00 0.00 33.22 33.09 1sms n MET 29 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1sms n GLU 30 N 4.92 0.00 -0.48 2.12 0.28 -1.26 -4.89 120.64 121.33 1sms n GLU 30 Ca 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.45 1sms n GLU 30 Cb 0.20 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 31.87 1sms n GLU 30 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1sms n ASN 31 N 6.92 1.78 0.18 -1.84 5.15 -1.26 -5.08 115.26 121.11 1sms n ASN 31 Ca 0.47 -0.24 -0.14 0.00 -0.60 0.00 0.00 54.58 54.07 1sms n ASN 31 Cb -0.01 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.16 1sms n ASN 31 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1sms h SER 32 N 0.00 -0.37 0.00 1.20 4.64 -1.93 -3.43 113.55 113.65 1sms h SER 32 Ca 0.00 -0.10 -0.35 0.00 -0.47 0.00 0.00 61.79 60.87 1sms h SER 32 Cb 0.00 0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.07 1sms h SER 32 CO 0.00 -0.12 1.96 -2.11 -0.87 0.00 0.00 176.83 175.70 1sms n ARG 33 N -5.20 0.00 -0.05 4.77 -4.01 -1.26 -4.68 116.66 106.24 1sms n ARG 33 Ca -0.10 0.00 -0.19 0.00 -1.04 0.00 0.00 57.85 56.52 1sms n ARG 33 Cb 0.24 -0.97 -0.13 0.00 -3.04 0.00 0.00 32.46 28.56 1sms n ARG 33 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 1sms n ARG 34 N 5.32 0.71 -4.44 2.89 3.00 -1.26 -3.77 116.66 119.11 1sms n ARG 34 Ca 0.65 0.22 -0.25 0.00 -0.00 0.00 0.00 57.85 58.48 1sms n ARG 34 Cb 0.13 -1.64 -0.13 0.00 0.00 0.00 0.00 32.46 30.82 1sms n ARG 34 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1sms s PHE 35 N -2.55 1.80 -0.84 -0.14 0.40 -1.26 -4.62 117.98 110.77 1sms s PHE 35 Ca -0.26 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.45 1sms s PHE 35 Cb 0.07 -1.02 -0.18 0.00 0.51 0.00 0.00 43.02 42.40 1sms s PHE 35 CO 0.72 0.15 2.34 0.28 0.70 0.00 0.00 175.22 179.41 1sms n VAL 36 N 1.43 0.00 -2.08 -0.44 0.31 -1.26 -4.85 118.33 111.44 1sms n VAL 36 Ca -0.18 -0.48 -0.40 0.00 -0.01 0.00 0.00 64.34 63.27 1sms n VAL 36 Cb 0.53 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 31.87 1sms n VAL 36 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1sms s MET 37 N 8.50 4.11 0.00 5.55 1.75 -1.26 -4.96 119.30 132.99 1sms s MET 37 Ca 0.99 2.16 0.00 0.00 -1.25 0.00 0.00 55.69 57.59 1sms s MET 37 Cb -0.26 -2.86 0.00 0.00 2.84 0.00 0.00 34.83 34.54 1sms s MET 37 CO 0.18 -0.38 0.00 0.34 -0.65 0.00 0.00 175.02 174.51 1sms n PHE 38 N 0.36 0.00 -0.05 4.11 7.35 -1.26 -4.54 117.46 123.42 1sms n PHE 38 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1sms n PHE 38 Cb 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 1sms n PHE 38 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1sms n PRO 39 N 0.00 -0.00 -1.76 -7.13 -0.02 -1.26 -4.62 135.00 120.20 1sms n PRO 39 Ca 0.00 -0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1sms n PRO 39 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1sms n PRO 39 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sms s ILE 40 N -0.04 2.05 -0.23 4.25 1.01 -1.26 -4.97 121.20 122.00 1sms s ILE 40 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 1sms s ILE 40 Cb 0.00 -3.03 -0.18 0.00 0.01 0.00 0.00 42.46 39.26 1sms s ILE 40 CO 0.00 0.01 -0.08 1.17 0.00 0.00 0.00 174.94 176.04 1sms n LYS 41 N 2.63 0.65 -2.70 2.79 4.81 -1.26 -4.78 118.16 120.30 1sms n LYS 41 Ca 0.10 0.25 -0.42 0.00 -0.87 0.00 0.00 58.31 57.37 1sms n LYS 41 Cb 0.37 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.81 1sms n LYS 41 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1sms s TYR 42 N -2.51 2.62 -0.02 5.64 1.51 -1.26 -4.88 117.35 118.45 1sms s TYR 42 Ca -0.32 -0.69 -0.25 0.00 -1.01 0.00 0.00 57.07 54.80 1sms s TYR 42 Cb 0.10 -4.50 -0.20 0.00 -0.11 0.00 0.00 41.96 37.25 1sms s TYR 42 CO 0.61 -1.82 1.24 0.45 -1.11 0.00 0.00 175.55 174.92 1sms h HIS 43 N 9.61 0.11 0.59 2.71 3.86 -1.99 -2.95 115.15 127.08 1sms h HIS 43 Ca -0.04 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1sms h HIS 43 Cb 1.04 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 1sms h HIS 43 CO 1.15 0.61 -0.40 0.93 0.86 0.00 0.00 177.93 181.07 1sms h GLU 44 N -0.42 -0.91 -1.12 2.45 3.07 -1.98 0.65 114.58 116.32 1sms h GLU 44 Ca 0.00 0.06 0.38 0.00 -0.50 0.00 0.00 59.36 59.30 1sms h GLU 44 Cb 0.60 0.21 -0.14 0.00 -0.84 0.00 0.00 28.75 28.57 1sms h GLU 44 CO 0.01 -0.61 0.67 0.82 -1.40 0.00 0.00 179.01 178.51 1sms h ILE 45 N -0.94 0.19 0.04 3.13 2.04 -1.94 1.44 117.51 121.46 1sms h ILE 45 Ca -0.08 -0.06 -0.27 0.00 1.00 0.00 0.00 64.86 65.45 1sms h ILE 45 Cb 0.77 -0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1sms h ILE 45 CO 0.05 0.03 -1.07 -0.25 0.00 0.00 0.00 178.15 176.92 1sms h TRP 46 N 0.18 1.00 -0.59 1.37 2.91 -1.23 -2.73 115.95 116.86 1sms h TRP 46 Ca 0.78 -0.57 0.12 0.00 1.13 0.00 0.00 58.89 60.34 1sms h TRP 46 Cb 2.11 -0.10 -0.11 0.00 -0.51 0.00 0.00 29.16 30.54 1sms h TRP 46 CO -0.01 1.41 -0.15 0.00 -1.03 0.00 0.00 178.44 178.66 1sms h ALA 47 N 0.35 0.39 -0.90 2.65 0.00 0.79 0.79 119.26 123.33 1sms h ALA 47 Ca -0.14 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sms h ALA 47 Cb 1.74 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 1sms h ALA 47 CO 0.21 -0.43 0.51 0.00 0.00 0.00 0.00 179.25 179.54 1sms h ALA 48 N 1.58 1.15 0.63 0.00 0.00 -0.91 -0.43 119.26 121.29 1sms h ALA 48 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1sms h ALA 48 Cb 0.43 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sms h ALA 48 CO -0.61 0.63 -0.43 -0.92 0.00 0.00 0.00 179.25 177.93 1sms h TYR 49 N 1.25 -1.15 -0.88 0.00 3.20 -0.56 -1.91 116.97 116.91 1sms h TYR 49 Ca 0.32 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.37 1sms h TYR 49 Cb -0.01 0.42 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 1sms h TYR 49 CO 0.01 -0.62 0.58 0.87 -1.64 0.00 0.00 178.16 177.35 1sms h LYS 50 N -1.01 0.43 0.33 1.82 1.79 -1.16 0.67 116.57 119.46 1sms h LYS 50 Ca -0.08 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1sms h LYS 50 Cb 0.82 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1sms h LYS 50 CO 0.06 0.29 -0.20 -0.22 -1.08 0.00 0.00 179.45 178.30 1sms h LYS 51 N 0.45 -0.48 -0.14 3.15 3.64 -0.53 -1.17 116.57 121.49 1sms h LYS 51 Ca 0.46 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1sms h LYS 51 Cb 1.07 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1sms h LYS 51 CO -0.18 -0.32 0.08 -0.39 -2.27 0.00 0.00 179.45 176.37 1sms h VAL 52 N -0.50 1.04 -0.66 2.00 -1.51 -1.09 -0.96 116.25 114.57 1sms h VAL 52 Ca -0.04 -0.09 0.04 0.00 -1.23 0.00 0.00 66.70 65.37 1sms h VAL 52 Cb 0.39 0.85 -0.04 0.00 -2.13 0.00 0.00 31.29 30.37 1sms h VAL 52 CO 0.05 0.04 0.44 -0.08 -1.23 0.00 0.00 177.57 176.79 1sms h GLU 53 N 0.18 0.76 -0.66 5.19 4.81 -0.61 -1.91 114.58 122.34 1sms h GLU 53 Ca 0.05 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sms h GLU 53 Cb -0.00 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1sms h GLU 53 CO -0.01 0.50 0.32 0.00 -0.73 0.00 0.00 179.01 179.09 1sms h ALA 54 N 1.62 1.34 -0.12 2.92 0.00 0.11 -2.96 119.26 122.15 1sms h ALA 54 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sms h ALA 54 Cb 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sms h ALA 54 CO -0.08 0.52 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 1sms n SER 55 N -4.35 0.74 -4.41 0.00 3.41 -0.72 -4.97 113.62 103.32 1sms n SER 55 Ca 0.06 -1.85 -0.40 0.00 -0.26 0.00 0.00 58.87 56.42 1sms n SER 55 Cb 0.13 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1sms n SER 55 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1sms n PHE 56 N -0.16 -1.12 -3.63 7.33 7.35 -1.12 -5.00 117.46 121.11 1sms n PHE 56 Ca 0.08 0.54 -0.09 0.00 -0.76 0.00 0.00 57.45 57.22 1sms n PHE 56 Cb 0.14 -1.91 -0.02 0.00 0.35 0.00 0.00 39.48 38.04 1sms n PHE 56 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1sms s TRP 57 N -1.65 -0.35 0.46 -5.13 1.48 -1.26 -5.14 118.94 107.35 1sms s TRP 57 Ca 0.63 0.04 0.05 0.00 -1.06 0.00 0.00 56.10 55.76 1sms s TRP 57 Cb -0.55 0.62 -0.04 0.00 -1.16 0.00 0.00 33.47 32.34 1sms s TRP 57 CO 0.59 -0.95 0.05 0.95 -4.06 0.00 0.00 176.95 173.53 1sms s THR 58 N -3.69 1.69 0.23 0.66 -4.23 -1.26 -5.04 115.64 104.01 1sms s THR 58 Ca 0.06 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1sms s THR 58 Cb -0.03 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 71.20 1sms s THR 58 CO -0.04 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.66 1sms h ALA 59 N 1.51 0.89 -0.12 3.99 0.00 -1.97 -2.20 119.26 121.36 1sms h ALA 59 Ca -0.43 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.09 1sms h ALA 59 Cb 1.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sms h ALA 59 CO 0.76 0.63 0.24 0.93 0.00 0.00 0.00 179.25 181.80 1sms h GLU 60 N 0.47 0.00 0.00 0.00 3.07 -1.98 0.35 114.58 116.49 1sms h GLU 60 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1sms h GLU 60 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1sms h GLU 60 CO 0.07 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.07 1sms n GLU 61 N -3.38 0.55 -4.01 2.33 1.02 -0.83 -4.29 120.64 112.04 1sms n GLU 61 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 1sms n GLU 61 Cb 0.33 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.13 1sms n GLU 61 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sms s ILE 62 N -2.00 2.20 -0.62 -3.67 1.01 0.12 -4.97 121.20 113.27 1sms s ILE 62 Ca 0.25 -2.25 -0.25 0.00 0.00 0.00 0.00 60.65 58.40 1sms s ILE 62 Cb 0.11 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1sms s ILE 62 CO 0.19 -0.57 1.04 -1.83 0.00 0.00 0.00 174.94 173.77 1sms s GLU 63 N 0.95 3.27 -0.48 2.79 1.03 -1.26 -5.02 118.70 119.98 1sms s GLU 63 Ca 0.10 -0.35 -0.12 0.00 0.03 0.00 0.00 54.97 54.62 1sms s GLU 63 Cb -0.19 -4.12 0.11 0.00 -0.80 0.00 0.00 34.13 29.13 1sms s GLU 63 CO -0.09 -1.72 0.38 -0.51 -1.33 0.00 0.00 175.26 171.99 1sms s LEU 64 N 4.43 5.75 0.00 1.83 1.43 -1.26 -4.44 118.68 126.41 1sms s LEU 64 Ca 0.30 -1.74 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1sms s LEU 64 Cb -0.12 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1sms s LEU 64 CO 0.17 -0.71 0.00 0.00 0.23 0.00 0.00 176.35 176.03 1sms n ALA 65 N 5.04 0.00 -0.92 4.21 0.00 -1.26 -4.88 120.51 122.70 1sms n ALA 65 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1sms n ALA 65 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1sms n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sms n LYS 66 N -0.53 -1.42 0.00 0.00 4.76 -1.26 -4.42 118.16 115.29 1sms n LYS 66 Ca 0.00 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1sms n LYS 66 Cb 0.00 -4.64 0.00 0.00 -1.84 0.00 0.00 35.03 28.55 1sms n LYS 66 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1sms n ASP 67 N -0.71 0.38 0.04 4.39 2.03 -1.26 -4.57 116.55 116.85 1sms n ASP 67 Ca 0.00 -0.22 -0.06 0.00 0.52 0.00 0.00 54.79 55.03 1sms n ASP 67 Cb 0.35 0.51 -0.11 0.00 -0.72 0.00 0.00 41.12 41.16 1sms n ASP 67 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1sms h THR 68 N 0.00 1.27 0.00 5.18 2.02 -1.90 -3.37 112.91 116.10 1sms h THR 68 Ca 0.00 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.20 1sms h THR 68 Cb 0.00 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1sms h THR 68 CO 0.00 0.72 0.00 -0.62 0.37 0.00 0.00 175.52 175.99 1sms n GLU 69 N -3.21 0.00 -0.09 6.66 1.02 -1.26 -2.31 120.64 121.45 1sms n GLU 69 Ca -0.06 0.16 0.19 0.00 -0.02 0.00 0.00 57.16 57.43 1sms n GLU 69 Cb 0.95 -1.05 0.29 0.00 -0.02 0.00 0.00 31.44 31.61 1sms n GLU 69 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1sms n ASP 70 N -0.76 0.00 0.00 1.62 9.92 -1.26 -1.39 116.55 124.68 1sms n ASP 70 Ca 0.00 0.59 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 1sms n ASP 70 Cb 0.00 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1sms n ASP 70 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1sms n PHE 71 N -2.78 0.00 0.00 1.24 7.35 -0.98 -3.60 117.46 118.69 1sms n PHE 71 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 1sms n PHE 71 Cb 1.20 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 40.66 1sms n PHE 71 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1sms n GLN 72 N -1.61 0.00 -2.60 -4.13 1.13 -0.48 -1.82 117.38 107.86 1sms n GLN 72 Ca 0.00 0.11 -0.29 0.00 -1.94 0.00 0.00 57.00 54.88 1sms n GLN 72 Cb 0.00 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 28.81 1sms n GLN 72 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sms n LYS 73 N -1.03 3.46 -3.49 -1.09 5.02 -1.12 -5.01 118.16 114.90 1sms n LYS 73 Ca 0.00 -4.55 -0.12 0.00 -2.02 0.00 0.00 58.31 51.62 1sms n LYS 73 Cb 0.03 -2.27 -0.04 0.00 -0.02 0.00 0.00 35.03 32.74 1sms n LYS 73 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sms n LEU 74 N -0.37 0.00 0.00 -0.35 4.77 -0.76 -4.92 117.00 115.37 1sms n LEU 74 Ca 0.38 -2.22 -0.12 0.00 -0.03 0.00 0.00 56.01 54.02 1sms n LEU 74 Cb 0.49 1.63 0.12 0.00 -2.33 0.00 0.00 43.42 43.33 1sms n LEU 74 CO 0.37 -0.45 0.14 0.35 -1.33 0.00 0.00 177.39 176.47 1sms n THR 75 N -0.45 0.00 0.41 -5.08 -2.24 -1.26 -4.95 114.28 100.71 1sms n THR 75 Ca 0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1sms n THR 75 Cb 0.44 -0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 68.19 1sms n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sms n ASP 76 N -3.92 0.47 -0.12 3.42 8.00 -1.26 -4.15 116.55 118.99 1sms n ASP 76 Ca 0.06 -0.27 -0.24 0.00 0.71 0.00 0.00 54.79 55.04 1sms n ASP 76 Cb 0.24 1.30 -0.08 0.00 -0.02 0.00 0.00 41.12 42.56 1sms n ASP 76 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sms n ASP 77 N -2.02 1.82 -0.33 -2.24 8.00 -1.26 -3.10 116.55 117.43 1sms n ASP 77 Ca -0.00 0.31 0.28 0.00 0.71 0.00 0.00 54.79 56.09 1sms n ASP 77 Cb 0.47 -0.75 0.52 0.00 -0.02 0.00 0.00 41.12 41.35 1sms n ASP 77 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1sms h GLN 78 N -0.92 0.12 0.27 -1.24 4.20 -1.81 4.18 115.11 119.91 1sms h GLN 78 Ca -0.54 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.16 1sms h GLN 78 Cb 1.46 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.19 1sms h GLN 78 CO -0.33 0.08 -0.43 -0.22 -0.67 0.00 0.00 178.83 177.26 1sms h LYS 79 N 0.13 -0.71 0.00 1.46 3.64 -1.72 -0.41 116.57 118.95 1sms h LYS 79 Ca 0.79 0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 60.12 1sms h LYS 79 Cb 1.96 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.93 1sms h LYS 79 CO -0.71 -0.47 -0.46 1.79 -2.27 0.00 0.00 179.45 177.32 1sms h THR 80 N -0.74 1.17 0.05 1.00 1.35 0.31 -2.89 112.91 113.18 1sms h THR 80 Ca -0.03 -1.66 0.03 0.00 -0.55 0.00 0.00 66.41 64.20 1sms h THR 80 Cb 0.68 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.99 1sms h THR 80 CO -0.14 0.45 -0.27 0.22 -0.25 0.00 0.00 175.52 175.53 1sms h TYR 81 N 0.00 -0.73 0.18 4.73 3.20 0.75 0.22 116.97 125.32 1sms h TYR 81 Ca -0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1sms h TYR 81 Cb 0.90 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 1sms h TYR 81 CO 0.00 -0.37 -0.41 0.82 -1.64 0.00 0.00 178.16 176.56 1sms h ILE 82 N -0.45 0.17 -1.01 1.81 2.04 -0.99 0.52 117.51 119.60 1sms h ILE 82 Ca 0.05 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.17 1sms h ILE 82 Cb 0.51 0.17 -0.13 0.00 -0.74 0.00 0.00 36.82 36.63 1sms h ILE 82 CO -0.20 0.00 0.60 1.23 0.00 0.00 0.00 178.15 179.78 1sms h GLY 83 N -0.69 1.88 1.19 5.37 0.00 -1.22 0.63 103.07 110.23 1sms h GLY 83 Ca 0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 1sms h GLY 83 CO -0.20 -0.27 -0.53 3.43 0.00 0.00 0.00 176.54 178.97 1sms h ASN 84 N 0.53 0.95 0.55 0.19 2.35 -0.20 -2.70 115.58 117.25 1sms h ASN 84 Ca 0.66 -0.50 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1sms h ASN 84 Cb 1.31 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1sms h ASN 84 CO -0.48 1.29 -0.39 0.25 -1.65 0.00 0.00 177.43 176.46 1sms h LEU 85 N 0.66 -1.01 0.00 1.61 7.12 0.19 0.29 115.31 124.17 1sms h LEU 85 Ca 0.02 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1sms h LEU 85 Cb 1.14 0.31 0.00 0.00 -0.53 0.00 0.00 40.66 41.57 1sms h LEU 85 CO 0.12 -0.57 0.03 0.18 -0.13 0.00 0.00 178.44 178.07 1sms n LEU 86 N -4.81 0.00 -0.03 2.25 4.77 0.18 -2.04 117.00 117.31 1sms n LEU 86 Ca -0.11 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1sms n LEU 86 Cb 0.38 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1sms n LEU 86 CO 0.25 -0.17 -0.70 0.00 -1.33 0.00 0.00 177.39 175.43 1sms n ALA 87 N -1.13 1.86 0.18 -1.18 0.00 -0.81 -3.91 120.51 115.51 1sms n ALA 87 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.12 1sms n ALA 87 Cb 0.03 0.22 0.11 0.00 0.00 0.00 0.00 19.45 19.81 1sms n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sms n LEU 88 N -2.43 0.00 0.00 0.00 4.77 0.96 -2.58 117.00 117.72 1sms n LEU 88 Ca -0.11 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1sms n LEU 88 Cb 0.66 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1sms n LEU 88 CO 0.10 -0.38 0.00 -1.20 -1.33 0.00 0.00 177.39 174.58 1sms n SER 89 N -1.45 0.00 0.00 -1.43 7.64 -1.17 -2.72 113.62 114.49 1sms n SER 89 Ca 0.01 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1sms n SER 89 Cb 0.05 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1sms n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sms n ILE 90 N -2.17 0.45 0.00 0.44 3.06 -1.19 -1.24 119.36 118.72 1sms n ILE 90 Ca 0.00 0.41 0.00 0.00 -2.50 0.00 0.00 62.75 60.66 1sms n ILE 90 Cb 0.00 -1.41 0.00 0.00 0.54 0.00 0.00 39.64 38.77 1sms n ILE 90 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1sms n SER 91 N -1.05 1.02 0.00 9.51 3.41 -1.06 -4.82 113.62 120.63 1sms n SER 91 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sms n SER 91 Cb 0.29 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1sms n SER 91 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1sms n SER 92 N -0.32 0.00 0.46 4.04 2.88 -0.37 -4.71 113.62 115.60 1sms n SER 92 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1sms n SER 92 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.38 1sms n SER 92 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1sms h ASP 93 N 0.00 -1.00 -1.32 -3.46 3.32 -1.44 -2.94 116.42 109.58 1sms h ASP 93 Ca 0.00 0.03 0.42 0.00 0.02 0.00 0.00 57.03 57.51 1sms h ASP 93 Cb 0.00 0.26 -0.12 0.00 0.22 0.00 0.00 39.33 39.69 1sms h ASP 93 CO 0.00 -0.67 0.87 -1.13 -1.72 0.00 0.00 179.24 176.58 1sms h ASN 94 N -1.26 0.24 0.19 6.45 -0.73 -1.76 0.90 115.58 119.60 1sms h ASN 94 Ca -0.12 0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1sms h ASN 94 Cb 0.90 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.60 1sms h ASN 94 CO 0.20 -0.13 -0.09 -0.07 -0.37 0.00 0.00 177.43 176.96 1sms h LEU 95 N 0.11 -0.21 -2.05 0.34 3.38 -1.72 -2.94 115.31 112.22 1sms h LEU 95 Ca 0.79 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.86 1sms h LEU 95 Cb 2.52 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 43.31 1sms h LEU 95 CO -0.36 -0.01 0.26 0.58 0.09 0.00 0.00 178.44 179.00 1sms h VAL 96 N -0.54 0.72 0.05 1.22 2.07 -1.23 -1.69 116.25 116.86 1sms h VAL 96 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1sms h VAL 96 Cb 0.19 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1sms h VAL 96 CO 0.04 0.00 -0.47 0.78 0.02 0.00 0.00 177.57 177.94 1sms h ASN 97 N 0.00 -1.41 -0.91 0.57 4.21 0.80 -1.81 115.58 117.03 1sms h ASN 97 Ca 0.16 0.16 -0.01 0.00 1.21 0.00 0.00 56.30 57.82 1sms h ASN 97 Cb 0.67 0.54 -0.04 0.00 -1.12 0.00 0.00 38.32 38.36 1sms h ASN 97 CO -0.00 -0.50 0.54 0.11 -1.29 0.00 0.00 177.43 176.28 1sms h LYS 98 N -0.65 1.25 -0.21 0.81 1.57 -1.11 -2.93 116.57 115.28 1sms h LYS 98 Ca 0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1sms h LYS 98 Cb 0.70 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1sms h LYS 98 CO -0.31 0.88 0.10 1.88 -0.57 0.00 0.00 179.45 181.44 1sms h TYR 99 N 1.26 0.30 -0.56 -1.35 0.05 -1.40 -3.10 116.97 112.17 1sms h TYR 99 Ca 0.33 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.16 1sms h TYR 99 Cb -0.03 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.55 1sms h TYR 99 CO 0.00 0.30 0.24 -0.07 -1.05 0.00 0.00 178.16 177.58 1sms h LEU 100 N 0.21 0.28 -2.03 3.88 3.38 -1.24 -2.04 115.31 117.76 1sms h LEU 100 Ca 0.07 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1sms h LEU 100 Cb 0.11 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1sms h LEU 100 CO -0.01 0.18 0.12 0.40 0.09 0.00 0.00 178.44 179.22 1sms h ILE 101 N 0.44 0.88 0.02 1.22 2.04 -1.44 -0.70 117.51 119.96 1sms h ILE 101 Ca 0.27 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.90 1sms h ILE 101 Cb 0.27 0.91 0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1sms h ILE 101 CO -0.24 0.00 -0.92 -0.33 0.00 0.00 0.00 178.15 176.66 1sms h GLU 102 N 0.00 0.59 0.23 2.37 5.08 -1.35 -0.63 114.58 120.86 1sms h GLU 102 Ca 0.08 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 1sms h GLU 102 Cb 0.33 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1sms h GLU 102 CO -0.00 1.26 -0.21 -0.91 -1.00 0.00 0.00 179.01 178.15 1sms h ASN 103 N 0.19 -0.58 -0.80 1.42 4.21 -0.93 0.28 115.58 119.37 1sms h ASN 103 Ca -0.12 0.04 0.12 0.00 1.21 0.00 0.00 56.30 57.55 1sms h ASN 103 Cb 1.60 0.19 -0.08 0.00 -1.12 0.00 0.00 38.32 38.91 1sms h ASN 103 CO 0.18 -0.29 0.41 -0.26 -1.29 0.00 0.00 177.43 176.18 1sms h PHE 104 N -0.44 0.73 -0.49 1.19 -1.00 -1.28 -0.07 116.94 115.58 1sms h PHE 104 Ca -0.03 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.85 1sms h PHE 104 Cb 0.38 -0.21 -0.06 0.00 3.61 0.00 0.00 35.95 39.67 1sms h PHE 104 CO -0.12 0.23 0.15 1.03 -1.61 0.00 0.00 178.31 177.99 1sms h SER 105 N 0.64 0.13 -0.54 2.17 0.87 -0.80 -0.95 113.55 115.07 1sms h SER 105 Ca 0.41 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 61.05 1sms h SER 105 Cb 0.50 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 1sms h SER 105 CO -0.31 0.10 0.34 0.00 -0.53 0.00 0.00 176.83 176.43 1sms h ALA 106 N 1.34 0.68 -0.56 6.23 0.00 0.13 -2.64 119.26 124.44 1sms h ALA 106 Ca 0.24 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1sms h ALA 106 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1sms h ALA 106 CO -0.26 0.09 0.37 1.96 0.00 0.00 0.00 179.25 181.41 1sms h GLN 107 N 0.70 0.68 -6.38 0.00 4.20 -0.04 -3.40 115.11 110.87 1sms h GLN 107 Ca 0.20 -0.04 -0.57 0.00 0.06 0.00 0.00 58.65 58.30 1sms h GLN 107 Cb -0.05 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.53 1sms h GLN 107 CO -0.06 0.45 1.00 -1.17 -0.67 0.00 0.00 178.83 178.38 1sms s LEU 108 N -9.61 3.83 0.00 1.46 2.96 -0.47 -4.73 118.68 112.12 1sms s LEU 108 Ca -0.09 1.16 0.29 0.00 -0.22 0.00 0.00 54.13 55.27 1sms s LEU 108 Cb 0.18 -3.54 1.19 0.00 0.50 0.00 0.00 46.19 44.52 1sms s LEU 108 CO 0.75 -1.15 1.89 0.00 -1.32 0.00 0.00 176.35 176.52 1sms n GLN 109 N 7.47 0.03 -3.59 1.98 1.13 -0.99 -4.71 117.38 118.70 1sms n GLN 109 Ca 0.15 -0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.84 1sms n GLN 109 Cb 0.47 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.25 1sms n GLN 109 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1sms s ASN 110 N -2.98 6.51 0.03 1.08 3.84 -1.26 -4.68 114.94 117.48 1sms s ASN 110 Ca 0.15 0.60 -0.12 0.00 0.21 0.00 0.00 52.86 53.69 1sms s ASN 110 Cb 0.19 -2.18 -0.06 0.00 -0.55 0.00 0.00 41.25 38.66 1sms s ASN 110 CO 0.54 0.20 1.19 1.55 -2.79 0.00 0.00 177.10 177.79 1sms h PRO 111 N 5.98 -0.29 -1.01 0.43 0.13 -1.82 -2.13 132.00 133.28 1sms h PRO 111 Ca -0.46 0.02 0.39 0.00 -0.87 0.00 0.00 66.00 65.09 1sms h PRO 111 Cb 1.19 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1sms h PRO 111 CO 0.70 -0.19 0.60 0.39 -0.23 0.00 0.00 178.00 179.26 1sms n GLU 112 N -3.45 -0.04 0.28 0.86 1.02 -1.26 0.12 120.64 118.17 1sms n GLU 112 Ca -0.04 1.18 -0.12 0.00 -0.02 0.00 0.00 57.16 58.17 1sms n GLU 112 Cb 0.15 -2.19 -0.06 0.00 -0.02 0.00 0.00 31.44 29.32 1sms n GLU 112 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1sms h GLY 113 N 0.00 -0.79 0.79 0.62 0.00 -1.75 -2.54 103.07 99.41 1sms h GLY 113 Ca 0.76 0.29 0.00 0.00 0.00 0.00 0.00 47.33 48.38 1sms h GLY 113 CO -0.58 -0.29 0.00 0.58 0.00 0.00 0.00 176.54 176.26 1sms n LYS 114 N -4.80 0.07 0.04 4.80 2.85 0.12 0.27 118.16 121.51 1sms n LYS 114 Ca -0.09 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.00 1sms n LYS 114 Cb 0.30 -1.40 -0.14 0.00 -0.65 0.00 0.00 35.03 33.14 1sms n LYS 114 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1sms h SER 115 N 0.00 0.35 0.36 -5.58 0.02 -0.48 -2.66 113.55 105.56 1sms h SER 115 Ca 0.00 -0.57 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 1sms h SER 115 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1sms h SER 115 CO 0.00 1.49 -0.17 0.15 -1.14 0.00 0.00 176.83 177.15 1sms h PHE 116 N 0.06 -0.44 -1.01 3.45 3.04 -0.01 -2.96 116.94 119.06 1sms h PHE 116 Ca -0.29 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 61.89 1sms h PHE 116 Cb 2.02 0.15 -0.11 0.00 2.56 0.00 0.00 35.95 40.57 1sms h PHE 116 CO 0.06 -0.12 0.62 1.88 -2.02 0.00 0.00 178.31 178.73 1sms h TYR 117 N -0.95 0.92 0.00 0.41 0.05 -1.63 1.00 116.97 116.77 1sms h TYR 117 Ca -0.05 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1sms h TYR 117 Cb 0.53 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 1sms h TYR 117 CO 0.03 0.09 -0.02 0.78 -1.05 0.00 0.00 178.16 177.99 1sms h GLY 118 N 0.56 0.00 0.00 3.88 0.00 -1.35 -2.29 103.07 103.87 1sms h GLY 118 Ca 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.92 1sms h GLY 118 CO -0.41 0.00 -0.17 -2.75 0.00 0.00 0.00 176.54 173.22 1sms h PHE 119 N 0.00 0.00 -0.45 5.60 3.57 0.12 -3.34 116.94 122.44 1sms h PHE 119 Ca -0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1sms h PHE 119 Cb 0.06 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 1sms h PHE 119 CO 0.00 0.84 -0.53 0.37 -2.23 0.00 0.00 178.31 176.77 1sms h GLN 120 N -1.00 -0.31 -0.52 1.11 4.15 -0.78 -1.84 115.11 115.91 1sms h GLN 120 Ca -0.04 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.50 1sms h GLN 120 Cb 0.84 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.51 1sms h GLN 120 CO -0.03 -0.21 -0.05 -0.84 -1.93 0.00 0.00 178.83 175.78 1sms h ILE 121 N -0.33 0.55 -0.80 2.39 3.07 -1.63 0.68 117.51 121.44 1sms h ILE 121 Ca 0.08 -0.02 0.18 0.00 1.55 0.00 0.00 64.86 66.65 1sms h ILE 121 Cb 0.53 0.47 -0.12 0.00 -0.27 0.00 0.00 36.82 37.44 1sms h ILE 121 CO -0.60 0.01 0.23 -0.03 -1.05 0.00 0.00 178.15 176.71 1sms h MET 122 N 0.07 0.28 -0.05 0.16 4.05 -1.47 -0.96 114.93 117.00 1sms h MET 122 Ca 0.26 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 1sms h MET 122 Cb 0.40 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1sms h MET 122 CO -0.47 0.19 -0.02 0.52 0.23 0.00 0.00 176.91 177.36 1sms h MET 123 N 0.29 0.10 -1.07 0.39 2.86 -0.38 -2.26 114.93 114.86 1sms h MET 123 Ca 0.47 -0.04 0.31 0.00 -2.06 0.00 0.00 59.70 58.38 1sms h MET 123 Cb 0.84 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1sms h MET 123 CO -0.54 0.45 0.81 0.93 1.06 0.00 0.00 176.91 179.62 1sms h GLU 124 N -0.26 0.00 -0.09 1.72 4.39 0.05 2.12 114.58 122.51 1sms h GLU 124 Ca 0.01 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 1sms h GLU 124 Cb 0.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1sms h GLU 124 CO 0.01 0.00 -0.59 -0.97 -1.16 0.00 0.00 179.01 176.29 1sms h ASN 125 N 0.00 0.67 1.02 1.42 -1.24 -0.92 -2.71 115.58 113.81 1sms h ASN 125 Ca 0.51 -0.67 -0.04 0.00 0.71 0.00 0.00 56.30 56.82 1sms h ASN 125 Cb 2.12 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.97 1sms h ASN 125 CO -0.01 1.23 -0.17 0.40 -1.29 0.00 0.00 177.43 177.60 1sms h ILE 126 N 0.16 0.40 0.04 2.57 2.04 0.37 -2.79 117.51 120.29 1sms h ILE 126 Ca -0.05 -1.00 -0.27 0.00 1.00 0.00 0.00 64.86 64.54 1sms h ILE 126 Cb 1.25 1.74 0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1sms h ILE 126 CO 0.12 0.16 -1.09 1.88 0.00 0.00 0.00 178.15 179.22 1sms h TYR 127 N 0.00 0.96 -1.01 1.37 0.99 0.29 -3.17 116.97 116.40 1sms h TYR 127 Ca -0.00 -0.55 0.23 0.00 2.00 0.00 0.00 58.73 60.41 1sms h TYR 127 Cb 0.72 -0.10 -0.11 0.00 1.00 0.00 0.00 36.73 38.25 1sms h TYR 127 CO 0.00 1.38 0.62 0.77 -0.00 0.00 0.00 178.16 180.93 1sms h SER 128 N 0.33 0.65 0.52 3.88 0.02 -1.20 0.19 113.55 117.94 1sms h SER 128 Ca -0.14 0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 1sms h SER 128 Cb 1.75 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 1sms h SER 128 CO 0.21 0.16 -0.70 -0.08 -1.14 0.00 0.00 176.83 175.28 1sms h GLU 129 N 0.59 0.16 -0.53 3.45 4.81 -1.55 -1.58 114.58 119.93 1sms h GLU 129 Ca 0.60 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.63 1sms h GLU 129 Cb 1.17 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1sms h GLU 129 CO -0.39 0.79 0.04 0.28 -0.73 0.00 0.00 179.01 179.01 1sms h VAL 130 N 0.11 1.24 0.07 0.32 2.07 -0.63 -0.04 116.25 119.39 1sms h VAL 130 Ca -0.02 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1sms h VAL 130 Cb 1.25 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1sms h VAL 130 CO 0.10 0.35 -0.03 1.88 0.02 0.00 0.00 177.57 179.90 1sms h TYR 131 N 0.81 -0.08 0.00 1.57 0.05 -1.14 -1.53 116.97 116.65 1sms h TYR 131 Ca 0.16 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1sms h TYR 131 Cb 0.42 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1sms h TYR 131 CO 0.02 0.36 0.00 0.43 -1.05 0.00 0.00 178.16 177.92 1sms n SER 132 N -4.91 0.00 -0.11 3.88 7.64 -0.61 -1.07 113.62 118.44 1sms n SER 132 Ca -0.08 -0.57 -0.15 0.00 1.01 0.00 0.00 58.87 59.08 1sms n SER 132 Cb 0.25 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.31 1sms n SER 132 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1sms n MET 133 N -0.73 0.67 0.05 1.43 2.81 -0.05 -3.99 117.12 117.32 1sms n MET 133 Ca 0.04 0.09 -0.08 0.00 -1.81 0.00 0.00 57.70 55.95 1sms n MET 133 Cb 0.02 -1.53 -0.12 0.00 -0.71 0.00 0.00 33.22 30.88 1sms n MET 133 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1sms h MET 134 N 0.00 0.02 -0.40 0.03 2.07 -0.13 -1.40 114.93 115.11 1sms h MET 134 Ca -0.56 -0.03 -0.07 0.00 -2.07 0.00 0.00 59.70 56.97 1sms h MET 134 Cb 2.04 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 31.76 1sms h MET 134 CO -0.04 0.94 -0.04 0.28 1.07 0.00 0.00 176.91 179.13 1sms h VAL 135 N 0.00 1.27 -0.19 -2.22 2.07 -1.37 -1.29 116.25 114.52 1sms h VAL 135 Ca -0.06 -1.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.26 1sms h VAL 135 Cb 1.82 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1sms h VAL 135 CO 0.13 0.37 -0.33 -0.78 0.02 0.00 0.00 177.57 176.97 1sms h ASP 136 N 0.56 0.63 -0.73 0.57 3.58 -1.69 -1.39 116.42 117.94 1sms h ASP 136 Ca 0.11 -0.53 0.08 0.00 0.42 0.00 0.00 57.03 57.11 1sms h ASP 136 Cb 0.54 -0.18 -0.11 0.00 1.72 0.00 0.00 39.33 41.30 1sms h ASP 136 CO 0.03 1.04 -0.52 0.00 -2.88 0.00 0.00 179.24 176.90 1sms h ALA 137 N 0.60 -0.49 -0.32 -0.78 0.00 -1.04 -3.16 119.26 114.07 1sms h ALA 137 Ca 0.01 0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 1sms h ALA 137 Cb 0.92 1.17 -0.32 0.00 0.00 0.00 0.00 17.79 19.56 1sms h ALA 137 CO 0.07 -0.92 -0.88 1.97 0.00 0.00 0.00 179.25 179.49 1sms n PHE 138 N -5.35 1.09 -1.45 0.00 1.16 -0.51 -4.76 117.46 107.64 1sms n PHE 138 Ca 0.01 -1.64 0.00 0.00 -1.87 0.00 0.00 57.45 53.95 1sms n PHE 138 Cb 0.32 -0.25 0.00 0.00 -1.61 0.00 0.00 39.48 37.94 1sms n PHE 138 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1sms n PHE 139 N -0.49 0.00 0.00 2.97 3.01 -0.53 -5.02 117.46 117.39 1sms n PHE 139 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1sms n PHE 139 Cb 0.90 0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.39 1sms n PHE 139 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1sms n LYS 140 N 0.00 0.00 -3.60 -1.08 4.76 -1.15 -4.64 118.16 112.45 1sms n LYS 140 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1sms n LYS 140 Cb 0.25 -0.46 -0.07 0.00 -1.84 0.00 0.00 35.03 32.91 1sms n LYS 140 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sms s ASP 141 N 0.00 -0.61 0.62 4.39 -1.08 -1.26 -4.87 116.67 113.86 1sms s ASP 141 Ca 0.00 0.87 0.29 0.00 -0.52 0.00 0.00 52.55 53.19 1sms s ASP 141 Cb 0.00 0.82 1.52 0.00 -1.46 0.00 0.00 42.92 43.80 1sms s ASP 141 CO 0.00 -0.44 1.90 -0.65 0.52 0.00 0.00 175.17 176.50 1sms h PRO 142 N 3.92 0.00 -0.08 4.34 0.11 -1.92 0.16 132.00 138.52 1sms h PRO 142 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1sms h PRO 142 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sms h PRO 142 CO 0.28 0.00 -0.09 -0.22 -0.21 0.00 0.00 178.00 177.76 1sms h LYS 143 N 0.00 0.20 0.00 1.05 3.64 -1.95 -3.24 116.57 116.27 1sms h LYS 143 Ca 0.13 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1sms h LYS 143 Cb 0.97 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1sms h LYS 143 CO -0.00 0.64 0.00 -1.71 -2.27 0.00 0.00 179.45 176.11 1sms n ASN 144 N -4.68 0.00 -4.34 4.20 2.85 0.55 -4.57 115.26 109.27 1sms n ASN 144 Ca -0.07 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.05 1sms n ASN 144 Cb 0.32 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.20 1sms n ASN 144 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1sms s ILE 145 N -1.98 3.46 0.00 -1.44 1.01 -1.23 -5.02 121.20 116.01 1sms s ILE 145 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1sms s ILE 145 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1sms s ILE 145 CO 0.00 0.43 0.25 -2.65 0.00 0.00 0.00 174.94 172.97 1sms n PRO 146 N 4.56 0.00 -0.01 2.79 -0.02 -1.26 -3.35 135.00 137.71 1sms n PRO 146 Ca -0.18 0.02 0.15 0.00 -2.02 0.00 0.00 63.50 61.47 1sms n PRO 146 Cb 0.51 -0.75 0.23 0.00 -0.02 0.00 0.00 33.50 33.47 1sms n PRO 146 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sms n LEU 147 N -0.27 0.00 -3.46 2.45 7.94 -1.26 -3.64 117.00 118.76 1sms n LEU 147 Ca 0.00 0.55 -0.36 0.00 -1.11 0.00 0.00 56.01 55.10 1sms n LEU 147 Cb 0.00 -0.14 -0.04 0.00 0.53 0.00 0.00 43.42 43.78 1sms n LEU 147 CO 0.00 -0.55 2.28 0.33 -1.11 0.00 0.00 177.39 178.34 1sms n PHE 148 N -2.64 1.83 0.00 1.96 -0.00 -1.21 -2.94 117.46 114.46 1sms n PHE 148 Ca 0.12 -1.98 0.00 0.00 -0.00 0.00 0.00 57.45 55.59 1sms n PHE 148 Cb 1.12 -1.78 0.00 0.00 -0.00 0.00 0.00 39.48 38.82 1sms n PHE 148 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1sms n LYS 149 N 5.86 0.00 -1.54 -4.13 5.02 -1.24 -4.96 118.16 117.17 1sms n LYS 149 Ca 0.49 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.63 1sms n LYS 149 Cb 0.30 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.40 1sms n LYS 149 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1sms n GLU 150 N -0.24 2.93 0.05 1.97 0.00 -1.15 -4.75 120.64 119.46 1sms n GLU 150 Ca 0.00 -3.85 -0.13 0.00 0.00 0.00 0.00 57.16 53.18 1sms n GLU 150 Cb 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 31.44 29.28 1sms n GLU 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1sms h ILE 151 N 1.75 1.08 -0.38 3.84 2.04 -1.94 -1.59 117.51 122.31 1sms h ILE 151 Ca 0.27 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.68 1sms h ILE 151 Cb 1.37 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1sms h ILE 151 CO 0.55 0.14 0.67 0.00 0.00 0.00 0.00 178.15 179.51 1sms h ALA 152 N 0.53 2.08 -1.17 1.87 0.00 -1.94 0.39 119.26 121.03 1sms h ALA 152 Ca -0.01 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.21 1sms h ALA 152 Cb 0.31 0.03 -0.34 0.00 0.00 0.00 0.00 17.79 17.79 1sms h ALA 152 CO 0.02 -0.86 0.21 0.09 0.00 0.00 0.00 179.25 178.71 1sms n ASN 153 N -3.21 6.28 -4.22 0.00 3.02 -0.60 -4.66 115.26 111.86 1sms n ASN 153 Ca 0.07 -3.78 -0.33 0.00 -0.03 0.00 0.00 54.58 50.52 1sms n ASN 153 Cb 0.81 -0.77 -0.16 0.00 -0.61 0.00 0.00 39.78 39.05 1sms n ASN 153 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sms s LEU 154 N -3.81 2.24 0.28 3.41 1.43 0.13 -5.02 118.68 117.34 1sms s LEU 154 Ca 0.52 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1sms s LEU 154 Cb 0.43 -1.48 0.58 0.00 0.03 0.00 0.00 46.19 45.75 1sms s LEU 154 CO -0.25 0.11 1.58 -0.65 0.23 0.00 0.00 176.35 177.37 1sms h PRO 155 N 7.14 0.02 0.29 1.29 0.11 -1.92 -0.88 132.00 138.05 1sms h PRO 155 Ca -0.29 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1sms h PRO 155 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sms h PRO 155 CO 0.54 0.02 -0.14 0.93 -0.21 0.00 0.00 178.00 179.13 1sms h GLU 156 N 0.02 -0.38 -0.76 1.05 3.07 -1.93 0.19 114.58 115.84 1sms h GLU 156 Ca 0.51 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1sms h GLU 156 Cb 0.94 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.90 1sms h GLU 156 CO -0.89 -0.09 0.48 -0.39 -1.40 0.00 0.00 179.01 176.71 1sms h VAL 157 N -0.67 1.21 -0.02 3.13 -1.51 -1.75 0.20 116.25 116.85 1sms h VAL 157 Ca -0.04 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1sms h VAL 157 Cb 0.47 0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1sms h VAL 157 CO 0.07 0.21 0.01 0.50 -1.23 0.00 0.00 177.57 177.13 1sms h LYS 158 N 1.04 0.03 0.00 5.19 3.64 -1.18 -0.90 116.57 124.39 1sms h LYS 158 Ca 0.28 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1sms h LYS 158 Cb -0.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1sms h LYS 158 CO -0.05 0.08 -0.05 0.45 -2.27 0.00 0.00 179.45 177.61 1sms h HIS 159 N -0.03 0.00 0.26 1.91 3.86 -0.13 -2.71 115.15 118.31 1sms h HIS 159 Ca 0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1sms h HIS 159 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1sms h HIS 159 CO -0.06 0.05 -0.13 -0.22 0.86 0.00 0.00 177.93 178.43 1sms h LYS 160 N 0.00 -0.34 -0.96 2.45 3.64 0.21 -3.21 116.57 118.36 1sms h LYS 160 Ca -0.00 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 59.67 1sms h LYS 160 Cb 0.29 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.05 1sms h LYS 160 CO 0.01 -0.23 0.47 0.00 -2.27 0.00 0.00 179.45 177.43 1sms h ALA 161 N -1.14 1.67 -0.86 5.00 0.00 -1.06 1.17 119.26 124.05 1sms h ALA 161 Ca -0.04 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1sms h ALA 161 Cb 0.27 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1sms h ALA 161 CO 0.06 -0.44 0.57 0.00 0.00 0.00 0.00 179.25 179.43 1sms h ALA 162 N 1.78 1.46 -0.95 0.00 0.00 -1.59 0.29 119.26 120.25 1sms h ALA 162 Ca 0.64 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.52 1sms h ALA 162 Cb 1.34 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1sms h ALA 162 CO -0.58 0.45 0.63 0.35 0.00 0.00 0.00 179.25 180.11 1sms h PHE 163 N 1.07 1.20 0.05 0.00 3.04 0.14 0.26 116.94 122.70 1sms h PHE 163 Ca 0.34 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.32 1sms h PHE 163 Cb 0.02 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.13 1sms h PHE 163 CO -0.00 0.75 -0.03 0.82 -2.02 0.00 0.00 178.31 177.83 1sms h ILE 164 N 1.29 1.30 0.00 1.41 5.03 -1.07 -1.20 117.51 124.26 1sms h ILE 164 Ca 0.35 -1.36 -0.00 0.00 -0.12 0.00 0.00 64.86 63.73 1sms h ILE 164 Cb -0.14 2.16 -0.00 0.00 -3.03 0.00 0.00 36.82 35.81 1sms h ILE 164 CO -0.08 0.33 -0.01 -0.08 -0.68 0.00 0.00 178.15 177.64 1sms h GLU 165 N -0.70 0.00 0.15 2.37 4.57 -0.82 0.60 114.58 120.76 1sms h GLU 165 Ca -0.01 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 1sms h GLU 165 Cb 0.59 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1sms h GLU 165 CO 0.01 0.01 -1.71 -0.09 -1.18 0.00 0.00 179.01 176.05 1sms h ARG 166 N 0.00 0.32 0.00 1.92 2.43 -0.42 -3.37 114.38 115.27 1sms h ARG 166 Ca -0.00 -0.55 -0.17 0.00 -0.81 0.00 0.00 59.98 58.45 1sms h ARG 166 Cb 0.06 0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1sms h ARG 166 CO 0.00 1.21 -1.66 0.91 -1.51 0.00 0.00 179.97 178.92 1sms n TRP 167 N -3.51 0.00 0.00 2.20 7.02 -0.46 -4.90 117.44 117.79 1sms n TRP 167 Ca -0.23 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.25 1sms n TRP 167 Cb 1.06 -0.47 0.00 0.00 -2.42 0.00 0.00 31.31 29.49 1sms n TRP 167 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1sms n ILE 168 N -2.33 0.00 -1.51 -0.99 5.41 0.20 -4.14 119.36 116.00 1sms n ILE 168 Ca -0.15 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.47 1sms n ILE 168 Cb 0.78 -0.17 -0.10 0.00 -0.71 0.00 0.00 39.64 39.44 1sms n ILE 168 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1sms n SER 169 N 0.00 0.94 -3.63 4.38 7.64 -1.08 -4.67 113.62 117.21 1sms n SER 169 Ca 0.00 -1.69 -0.04 0.00 1.01 0.00 0.00 58.87 58.15 1sms n SER 169 Cb 0.00 -1.46 -0.06 0.00 -1.01 0.00 0.00 64.21 61.67 1sms n SER 169 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1sms s ASN 170 N 7.95 -0.85 0.21 6.43 3.84 -1.26 -4.31 114.94 126.96 1sms s ASN 170 Ca 0.87 1.30 -0.10 0.00 0.21 0.00 0.00 52.86 55.14 1sms s ASN 170 Cb -0.18 1.50 0.15 0.00 -0.55 0.00 0.00 41.25 42.17 1sms s ASN 170 CO 0.17 -0.20 1.85 -0.78 -2.79 0.00 0.00 177.10 175.34 1sms h ASP 171 N 6.95 0.90 -0.29 -4.21 1.82 -1.92 -3.22 116.42 116.45 1sms h ASP 171 Ca -0.27 -0.06 -0.69 0.00 -0.39 0.00 0.00 57.03 55.62 1sms h ASP 171 Cb 1.19 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.96 1sms h ASP 171 CO 0.16 0.70 3.43 -0.67 -1.61 0.00 0.00 179.24 181.24 1sms n ASP 172 N -4.51 8.06 -4.28 2.28 2.03 -1.26 -4.89 116.55 113.99 1sms n ASP 172 Ca 0.07 -2.74 -0.15 0.00 0.52 0.00 0.00 54.79 52.49 1sms n ASP 172 Cb 0.06 -1.52 -0.10 0.00 -0.72 0.00 0.00 41.12 38.83 1sms n ASP 172 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1sms s SER 173 N 1.83 1.42 -0.06 1.67 1.04 -1.22 -5.07 113.70 113.31 1sms s SER 173 Ca 0.63 -1.21 0.04 0.00 0.48 0.00 0.00 55.95 55.90 1sms s SER 173 Cb 0.17 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 1sms s SER 173 CO -0.07 -0.56 -0.18 -0.76 0.98 0.00 0.00 173.24 172.65 1sms s LEU 174 N -3.23 1.91 0.08 2.42 1.43 -1.26 -5.03 118.68 115.00 1sms s LEU 174 Ca 0.27 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 1sms s LEU 174 Cb 0.06 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 1sms s LEU 174 CO 0.06 0.14 1.08 0.00 0.23 0.00 0.00 176.35 177.86 1sms n TYR 175 N 3.32 -0.22 -0.32 0.29 9.36 -1.26 0.85 117.16 129.19 1sms n TYR 175 Ca -0.19 0.61 0.19 0.00 3.32 0.00 0.00 57.90 61.83 1sms n TYR 175 Cb 0.53 -0.50 0.40 0.00 -0.63 0.00 0.00 39.34 39.13 1sms n TYR 175 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sms h ALA 176 N -0.08 1.69 0.56 2.98 0.00 -1.97 0.65 119.26 123.09 1sms h ALA 176 Ca 0.08 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1sms h ALA 176 Cb 0.20 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sms h ALA 176 CO -0.46 -0.50 -0.27 0.93 0.00 0.00 0.00 179.25 178.95 1sms h GLU 177 N 0.31 -0.72 -0.79 0.00 5.08 0.07 -1.35 114.58 117.17 1sms h GLU 177 Ca 0.66 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 59.20 1sms h GLU 177 Cb 1.42 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.78 1sms h GLU 177 CO -0.61 -0.42 0.52 0.00 -1.00 0.00 0.00 179.01 177.50 1sms h ARG 178 N -1.06 0.52 -0.49 2.33 3.08 0.55 0.11 114.38 119.42 1sms h ARG 178 Ca -0.08 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1sms h ARG 178 Cb 0.64 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1sms h ARG 178 CO 0.13 0.34 0.19 1.25 -1.07 0.00 0.00 179.97 180.82 1sms h LEU 179 N 0.54 0.68 0.68 3.04 5.85 0.35 -0.39 115.31 126.05 1sms h LEU 179 Ca 0.38 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1sms h LEU 179 Cb 0.73 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1sms h LEU 179 CO -0.14 0.66 -0.46 0.58 -0.34 0.00 0.00 178.44 178.74 1sms h VAL 180 N 0.65 0.00 -0.39 1.05 2.07 0.37 -1.19 116.25 118.81 1sms h VAL 180 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1sms h VAL 180 Cb 0.20 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.88 1sms h VAL 180 CO -0.01 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.35 1sms h ALA 181 N -1.19 0.02 -0.96 1.67 0.00 -1.35 0.45 119.26 117.90 1sms h ALA 181 Ca -0.09 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.14 1sms h ALA 181 Cb 0.88 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 1sms h ALA 181 CO 0.07 -0.60 0.55 0.35 0.00 0.00 0.00 179.25 179.61 1sms h PHE 182 N -0.16 0.96 -0.56 0.00 -0.00 -0.96 1.69 116.94 117.90 1sms h PHE 182 Ca 0.19 0.04 -0.09 0.00 -0.00 0.00 0.00 57.97 58.10 1sms h PHE 182 Cb 0.46 -0.28 -0.02 0.00 -0.00 0.00 0.00 35.95 36.11 1sms h PHE 182 CO -0.45 0.18 -0.01 0.00 -0.00 0.00 0.00 178.31 178.03 1sms h ALA 183 N 1.64 0.93 0.11 2.41 0.00 0.92 -1.37 119.26 123.90 1sms h ALA 183 Ca 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1sms h ALA 183 Cb 0.88 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sms h ALA 183 CO -0.40 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.44 1sms h ALA 184 N 1.09 -0.15 -0.80 0.00 0.00 0.59 0.31 119.26 120.30 1sms h ALA 184 Ca 0.16 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1sms h ALA 184 Cb 0.53 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1sms h ALA 184 CO 0.03 -0.53 0.52 -0.22 0.00 0.00 0.00 179.25 179.05 1sms h LYS 185 N -0.26 0.63 0.11 0.00 3.11 0.21 0.40 116.57 120.76 1sms h LYS 185 Ca -0.02 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.56 1sms h LYS 185 Cb 0.22 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1sms h LYS 185 CO 0.03 0.42 -1.09 1.49 -2.81 0.00 0.00 179.45 177.49 1sms h GLU 186 N 0.65 0.23 0.00 1.90 4.57 -1.10 -3.32 114.58 117.52 1sms h GLU 186 Ca 0.38 -0.39 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1sms h GLU 186 Cb 0.58 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1sms h GLU 186 CO -0.15 1.19 -0.26 0.78 -1.18 0.00 0.00 179.01 179.39 1sms h GLY 187 N -0.23 0.01 0.07 1.92 0.00 -0.75 -3.43 103.07 100.66 1sms h GLY 187 Ca -0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1sms h GLY 187 CO 0.07 0.02 -0.03 -2.22 0.00 0.00 0.00 176.54 174.38 1sms h ILE 188 N -0.98 0.00 -1.81 2.60 2.04 -0.37 -3.39 117.51 115.59 1sms h ILE 188 Ca -0.07 -0.61 -0.66 0.00 1.00 0.00 0.00 64.86 64.52 1sms h ILE 188 Cb 1.08 0.00 0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1sms h ILE 188 CO -0.04 0.00 0.50 0.49 0.00 0.00 0.00 178.15 179.11 1sms n PHE 189 N -3.96 1.64 -1.00 1.37 3.72 -1.07 -0.53 117.46 117.63 1sms n PHE 189 Ca -0.01 0.58 -0.00 0.00 -0.05 0.00 0.00 57.45 57.96 1sms n PHE 189 Cb 0.04 -2.37 -0.00 0.00 -0.94 0.00 0.00 39.48 36.21 1sms n PHE 189 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1sms n GLN 190 N 2.61 -0.03 0.29 -1.08 6.02 -1.26 -4.76 117.38 119.17 1sms n GLN 190 Ca 0.18 0.17 0.15 0.00 -0.01 0.00 0.00 57.00 57.49 1sms n GLN 190 Cb 0.21 -3.35 0.85 0.00 1.02 0.00 0.00 30.24 28.98 1sms n GLN 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sms h ALA 191 N 0.00 1.27 0.30 -1.58 0.00 -1.02 -2.90 119.26 115.34 1sms h ALA 191 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1sms h ALA 191 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sms h ALA 191 CO 0.00 0.08 -0.15 0.78 0.00 0.00 0.00 179.25 179.96 1sms h GLY 192 N 0.61 -0.42 -0.48 0.00 0.00 -1.91 -2.83 103.07 98.03 1sms h GLY 192 Ca -0.00 0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.57 1sms h GLY 192 CO 0.01 -0.15 -0.15 0.70 0.00 0.00 0.00 176.54 176.94 1sms n ASN 193 N -4.69 -0.24 0.34 0.19 4.13 -1.10 0.76 115.26 114.65 1sms n ASN 193 Ca -0.05 0.84 -0.15 0.00 1.68 0.00 0.00 54.58 56.90 1sms n ASN 193 Cb 0.16 -0.23 -0.08 0.00 -1.54 0.00 0.00 39.78 38.10 1sms n ASN 193 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 1sms h TYR 194 N 0.00 -0.82 -0.89 3.10 0.99 -1.65 -0.32 116.97 117.38 1sms h TYR 194 Ca 0.20 -0.02 0.23 0.00 2.00 0.00 0.00 58.73 61.15 1sms h TYR 194 Cb 0.33 0.27 -0.16 0.00 1.00 0.00 0.00 36.73 38.17 1sms h TYR 194 CO -0.40 -0.47 0.06 0.00 -0.00 0.00 0.00 178.16 177.35 1sms h ALA 195 N -1.02 1.07 -3.00 3.88 0.00 0.48 0.85 119.26 121.52 1sms h ALA 195 Ca -0.09 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sms h ALA 195 Cb 0.71 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sms h ALA 195 CO 0.15 -0.50 0.00 0.43 0.00 0.00 0.00 179.25 179.32 1sms n SER 196 N -5.39 0.00 -0.43 0.00 7.64 0.23 -1.51 113.62 114.16 1sms n SER 196 Ca 0.20 0.45 0.35 0.00 1.01 0.00 0.00 58.87 60.88 1sms n SER 196 Cb 0.65 0.00 0.65 0.00 -1.01 0.00 0.00 64.21 64.51 1sms n SER 196 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1sms h MET 197 N 0.00 0.13 0.00 1.43 2.86 -0.61 0.11 114.93 118.85 1sms h MET 197 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1sms h MET 197 Cb 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1sms h MET 197 CO 0.00 0.09 0.00 1.19 1.06 0.00 0.00 176.91 179.25 1sms n PHE 198 N -4.53 0.00 -0.20 -0.22 0.99 0.29 -1.74 117.46 112.06 1sms n PHE 198 Ca 0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.74 1sms n PHE 198 Cb 1.35 -0.30 -0.05 0.00 -1.00 0.00 0.00 39.48 39.48 1sms n PHE 198 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.76 178.63 1sms n TRP 199 N -1.53 -0.21 0.00 1.38 -0.00 0.20 -0.66 117.44 116.63 1sms n TRP 199 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.50 58.09 1sms n TRP 199 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 31.31 30.82 1sms n TRP 199 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1sms n LEU 200 N -4.17 0.00 -0.18 5.87 7.94 -0.18 -2.43 117.00 123.86 1sms n LEU 200 Ca 0.01 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.07 1sms n LEU 200 Cb 0.12 0.00 0.27 0.00 0.53 0.00 0.00 43.42 44.34 1sms n LEU 200 CO -0.07 0.00 0.48 0.35 -1.11 0.00 0.00 177.39 177.04 1sms n THR 201 N 0.00 -0.12 -1.25 1.96 -2.24 -0.71 -4.60 114.28 107.32 1sms n THR 201 Ca 0.00 0.76 -0.51 0.00 -2.27 0.00 0.00 64.05 62.03 1sms n THR 201 Cb 0.00 -1.24 -0.08 0.00 -2.10 0.00 0.00 70.33 66.90 1sms n THR 201 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sms n ASP 202 N -3.58 0.84 0.00 3.42 -0.08 0.17 -2.00 116.55 115.31 1sms n ASP 202 Ca 0.16 0.81 0.00 0.00 -1.51 0.00 0.00 54.79 54.25 1sms n ASP 202 Cb 0.61 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.38 1sms n ASP 202 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sms n LYS 203 N 3.90 0.00 -2.45 -0.67 5.02 -1.26 -4.48 118.16 118.22 1sms n LYS 203 Ca 0.30 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.44 1sms n LYS 203 Cb -0.04 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.00 1sms n LYS 203 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sms n LYS 204 N 0.00 2.62 -4.36 1.97 5.02 -1.23 -5.06 118.16 117.12 1sms n LYS 204 Ca 0.00 -3.87 -0.19 0.00 -2.02 0.00 0.00 58.31 52.23 1sms n LYS 204 Cb 0.00 -1.91 -0.14 0.00 -0.02 0.00 0.00 35.03 32.95 1sms n LYS 204 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sms s ILE 205 N -4.28 0.76 0.00 -0.18 1.01 -0.85 -5.00 121.20 112.66 1sms s ILE 205 Ca 0.39 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1sms s ILE 205 Cb 0.38 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 42.20 1sms s ILE 205 CO -0.02 0.15 0.00 0.23 0.00 0.00 0.00 174.94 175.30 1sms n MET 206 N 2.66 0.00 0.05 2.79 2.81 -1.26 -4.46 117.12 119.71 1sms n MET 206 Ca -0.15 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.64 1sms n MET 206 Cb 0.56 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.01 1sms n MET 206 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1sms h PRO 207 N 0.56 -0.45 -0.81 0.03 0.11 -1.91 -2.03 132.00 127.51 1sms h PRO 207 Ca 0.00 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.26 1sms h PRO 207 Cb 0.00 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 31.08 1sms h PRO 207 CO 0.00 -0.30 -0.42 0.78 -0.21 0.00 0.00 178.00 177.85 1sms h GLY 208 N -0.46 -0.24 0.38 -0.55 0.00 -1.90 0.54 103.07 100.84 1sms h GLY 208 Ca 0.00 0.56 0.12 0.00 0.00 0.00 0.00 47.33 48.01 1sms h GLY 208 CO -0.21 -0.16 0.44 -2.00 0.00 0.00 0.00 176.54 174.61 1sms h LEU 209 N -0.09 0.57 -1.36 3.11 5.85 -1.87 0.46 115.31 121.98 1sms h LEU 209 Ca 0.25 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.06 1sms h LEU 209 Cb 0.55 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1sms h LEU 209 CO -0.85 0.29 0.44 0.00 -0.34 0.00 0.00 178.44 177.98 1sms h ALA 210 N 1.50 1.56 0.16 1.25 0.00 0.73 -1.18 119.26 123.27 1sms h ALA 210 Ca 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1sms h ALA 210 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sms h ALA 210 CO -0.30 0.40 -0.08 1.98 0.00 0.00 0.00 179.25 181.26 1sms h MET 211 N 0.87 -0.21 -0.80 0.00 1.85 0.90 -0.71 114.93 116.83 1sms h MET 211 Ca 0.25 0.01 0.14 0.00 -0.61 0.00 0.00 59.70 59.49 1sms h MET 211 Cb -0.06 0.05 -0.14 0.00 0.43 0.00 0.00 31.60 31.87 1sms h MET 211 CO -0.06 -0.14 -0.25 0.00 -0.40 0.00 0.00 176.91 176.06 1sms n ALA 212 N -2.21 0.06 -0.18 0.39 0.00 -0.29 0.13 120.51 118.40 1sms n ALA 212 Ca -0.03 0.84 -0.10 0.00 0.00 0.00 0.00 53.44 54.16 1sms n ALA 212 Cb 0.08 -0.45 0.01 0.00 0.00 0.00 0.00 19.45 19.09 1sms n ALA 212 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1sms h ASN 213 N 0.00 0.95 -0.24 0.00 -1.24 -1.28 0.36 115.58 114.13 1sms h ASN 213 Ca 0.34 -0.33 0.02 0.00 0.71 0.00 0.00 56.30 57.04 1sms h ASN 213 Cb 0.54 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 1sms h ASN 213 CO -0.81 1.05 0.10 -0.09 -1.29 0.00 0.00 177.43 176.40 1sms h ARG 214 N 0.83 0.22 0.00 6.67 2.43 0.26 -1.68 114.38 123.12 1sms h ARG 214 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1sms h ARG 214 Cb 0.59 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1sms h ARG 214 CO 0.04 0.15 0.00 0.09 -1.51 0.00 0.00 179.97 178.73 1sms n ASN 215 N -5.01 0.00 -0.05 -3.80 3.02 0.13 -2.19 115.26 107.37 1sms n ASN 215 Ca -0.02 0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.71 1sms n ASN 215 Cb 0.07 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 1sms n ASN 215 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sms n ILE 216 N -0.27 -0.07 -0.29 2.41 5.41 0.10 0.42 119.36 127.07 1sms n ILE 216 Ca 0.00 0.27 0.04 0.00 1.00 0.00 0.00 62.75 64.06 1sms n ILE 216 Cb 0.00 -0.34 0.18 0.00 -0.71 0.00 0.00 39.64 38.77 1sms n ILE 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sms n ARG 218 N -4.79 0.00 -0.30 0.00 0.63 1.41 -2.23 116.66 111.38 1sms n ARG 218 Ca 0.14 0.26 -0.05 0.00 -0.92 0.00 0.00 57.85 57.28 1sms n ARG 218 Cb 0.32 -1.19 -0.03 0.00 0.45 0.00 0.00 32.46 32.01 1sms n ARG 218 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1sms n ASP 219 N -1.15 -0.65 0.30 6.15 8.00 -0.87 0.30 116.55 128.62 1sms n ASP 219 Ca 0.00 1.30 0.15 0.00 0.71 0.00 0.00 54.79 56.95 1sms n ASP 219 Cb 0.00 -0.22 0.80 0.00 -0.02 0.00 0.00 41.12 41.68 1sms n ASP 219 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1sms h ARG 220 N 0.00 0.00 0.09 -1.24 3.08 -1.12 0.66 114.38 115.85 1sms h ARG 220 Ca 0.18 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.95 1sms h ARG 220 Cb 0.36 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.43 1sms h ARG 220 CO -0.71 0.00 -1.17 0.78 -1.07 0.00 0.00 179.97 177.80 1sms h GLY 221 N 0.00 0.61 0.71 0.04 0.00 0.51 -2.48 103.07 102.46 1sms h GLY 221 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.08 1sms h GLY 221 CO 0.00 1.09 -0.00 0.00 0.00 0.00 0.00 176.54 177.63 1sms h ALA 222 N 0.43 0.06 -0.14 3.60 0.00 0.53 -2.56 119.26 121.18 1sms h ALA 222 Ca -0.16 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1sms h ALA 222 Cb 1.84 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1sms h ALA 222 CO 0.22 -0.27 -0.24 1.88 0.00 0.00 0.00 179.25 180.84 1sms h TYR 223 N -0.22 -0.73 -0.90 0.00 0.99 -1.03 0.68 116.97 115.76 1sms h TYR 223 Ca 0.01 0.03 0.25 0.00 2.00 0.00 0.00 58.73 61.03 1sms h TYR 223 Cb 0.33 0.34 -0.15 0.00 1.00 0.00 0.00 36.73 38.25 1sms h TYR 223 CO 0.03 -0.22 0.22 1.15 -0.00 0.00 0.00 178.16 179.35 1sms h THR 224 N -0.20 0.25 -0.70 -2.88 2.02 -1.46 0.66 112.91 110.62 1sms h THR 224 Ca 0.03 -0.06 0.13 0.00 0.77 0.00 0.00 66.41 67.28 1sms h THR 224 Cb 0.27 0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 66.66 1sms h THR 224 CO -0.24 0.03 0.24 0.44 0.37 0.00 0.00 175.52 176.37 1sms h ASP 225 N 0.16 0.20 -0.76 4.18 3.32 -0.49 -0.41 116.42 122.61 1sms h ASP 225 Ca 0.58 0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.81 1sms h ASP 225 Cb 1.20 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.79 1sms h ASP 225 CO -0.70 0.08 0.44 0.15 -1.72 0.00 0.00 179.24 177.49 1sms h PHE 226 N 0.39 0.80 0.00 4.55 3.57 0.18 0.49 116.94 126.92 1sms h PHE 226 Ca 0.37 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 1sms h PHE 226 Cb 0.55 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1sms h PHE 226 CO -0.19 0.36 -0.01 0.77 -2.23 0.00 0.00 178.31 177.02 1sms h SER 227 N 0.77 0.00 0.00 0.41 0.02 -0.86 0.16 113.55 114.06 1sms h SER 227 Ca 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1sms h SER 227 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1sms h SER 227 CO -0.21 0.01 -0.21 0.00 -1.14 0.00 0.00 176.83 175.28 1sms h LEU 229 N -1.00 0.00 0.06 0.00 5.85 0.49 0.81 115.31 121.52 1sms h LEU 229 Ca -0.05 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.44 1sms h LEU 229 Cb 0.83 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1sms h LEU 229 CO -0.03 0.00 -1.23 -0.07 -0.34 0.00 0.00 178.44 176.76 1sms h LEU 230 N 0.00 0.19 -0.97 2.25 3.38 -0.77 -3.36 115.31 116.02 1sms h LEU 230 Ca 0.20 -0.74 0.20 0.00 0.09 0.00 0.00 57.88 57.62 1sms h LEU 230 Cb 1.29 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 1sms h LEU 230 CO -0.00 1.52 0.56 0.15 0.09 0.00 0.00 178.44 180.76 1sms h PHE 231 N -0.63 0.98 0.00 1.13 3.57 0.13 0.17 116.94 122.29 1sms h PHE 231 Ca -0.30 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1sms h PHE 231 Cb 1.51 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1sms h PHE 231 CO 0.13 0.17 0.00 0.00 -2.23 0.00 0.00 178.31 176.38 1sms n ALA 232 N -2.35 1.48 0.10 2.41 0.00 0.13 -2.75 120.51 119.53 1sms n ALA 232 Ca 0.23 0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.81 1sms n ALA 232 Cb 0.59 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1sms n ALA 232 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sms h HIS 233 N 0.00 0.00 -3.88 0.00 3.86 -0.80 -3.47 115.15 110.86 1sms h HIS 233 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1sms h HIS 233 Cb 0.26 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.79 1sms h HIS 233 CO 0.00 0.53 0.61 -0.51 0.86 0.00 0.00 177.93 179.43 1sms s LEU 234 N -6.18 4.41 0.00 2.43 1.02 -1.11 -4.99 118.68 114.26 1sms s LEU 234 Ca 0.01 2.63 0.00 0.00 0.02 0.00 0.00 54.13 56.79 1sms s LEU 234 Cb 0.08 -3.68 0.00 0.00 0.02 0.00 0.00 46.19 42.61 1sms s LEU 234 CO 0.77 -0.53 0.46 0.54 0.02 0.00 0.00 176.35 177.62 1sms n ARG 235 N 0.75 0.00 -2.42 1.70 1.74 -1.26 -4.62 116.66 112.54 1sms n ARG 235 Ca 0.00 0.47 -0.41 0.00 -0.77 0.00 0.00 57.85 57.15 1sms n ARG 235 Cb 0.42 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 1sms n ARG 235 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sms s THR 236 N -1.87 3.68 0.59 0.55 2.01 -1.26 -5.02 115.64 114.32 1sms s THR 236 Ca 0.00 0.44 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 1sms s THR 236 Cb 0.00 -4.63 -0.03 0.00 0.01 0.00 0.00 72.50 67.85 1sms s THR 236 CO 0.00 -1.52 0.96 -0.54 -0.69 0.00 0.00 174.62 172.83 1sms s LYS 237 N 5.91 3.47 0.08 4.92 3.01 -1.26 -4.95 119.74 130.92 1sms s LYS 237 Ca 0.45 0.53 -0.30 0.00 -1.01 0.00 0.00 55.97 55.64 1sms s LYS 237 Cb -0.09 -2.17 -0.05 0.00 -1.01 0.00 0.00 37.83 34.51 1sms s LYS 237 CO 0.18 -0.52 1.03 -1.25 0.51 0.00 0.00 175.35 175.30 1sms s PRO 238 N -5.07 4.59 -0.07 -1.68 0.04 -1.26 -4.94 135.00 126.61 1sms s PRO 238 Ca 0.53 1.55 -0.40 0.00 0.04 0.00 0.00 61.00 62.72 1sms s PRO 238 Cb -0.11 -3.38 -0.19 0.00 0.04 0.00 0.00 34.50 30.87 1sms s PRO 238 CO 0.51 0.03 1.26 -1.71 0.04 0.00 0.00 177.00 177.13 1sms n ASN 239 N 3.21 0.71 -0.52 6.66 4.05 -1.26 -4.61 115.26 123.50 1sms n ASN 239 Ca 0.05 1.15 0.43 0.00 0.45 0.00 0.00 54.58 56.65 1sms n ASN 239 Cb 0.49 -0.99 0.74 0.00 1.23 0.00 0.00 39.78 41.24 1sms n ASN 239 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1sms h PRO 240 N 3.93 0.04 0.16 1.20 0.11 -1.92 0.12 132.00 135.66 1sms h PRO 240 Ca -0.49 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1sms h PRO 240 Cb 1.39 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.46 1sms h PRO 240 CO 0.75 0.03 -0.34 0.87 -0.21 0.00 0.00 178.00 179.10 1sms h LYS 241 N 0.05 -0.57 -0.97 1.05 6.56 -1.99 -0.75 116.57 119.95 1sms h LYS 241 Ca 0.81 0.04 0.04 0.00 -1.06 0.00 0.00 60.65 60.47 1sms h LYS 241 Cb 2.96 0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 34.69 1sms h LYS 241 CO -0.17 -0.38 0.63 0.82 -2.06 0.00 0.00 179.45 178.30 1sms h ILE 242 N -0.59 1.16 -0.91 1.86 2.04 -1.08 -0.41 117.51 119.58 1sms h ILE 242 Ca 0.02 -0.42 0.10 0.00 1.00 0.00 0.00 64.86 65.56 1sms h ILE 242 Cb 0.60 -0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 1sms h ILE 242 CO -0.17 0.22 0.55 0.40 0.00 0.00 0.00 178.15 179.15 1sms h ILE 243 N 1.21 0.94 0.00 -0.67 2.04 -1.03 -2.95 117.51 117.06 1sms h ILE 243 Ca 0.39 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1sms h ILE 243 Cb 0.01 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1sms h ILE 243 CO -0.13 0.17 0.00 1.21 0.00 0.00 0.00 178.15 179.40 1sms n GLU 244 N -4.66 0.00 -0.19 2.37 2.13 -0.20 -3.31 120.64 116.78 1sms n GLU 244 Ca 0.16 0.45 0.10 0.00 0.66 0.00 0.00 57.16 58.52 1sms n GLU 244 Cb 0.28 -1.34 0.19 0.00 0.27 0.00 0.00 31.44 30.84 1sms n GLU 244 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1sms n LYS 245 N -1.85 -0.04 0.07 5.31 5.02 -0.99 0.28 118.16 125.97 1sms n LYS 245 Ca 0.00 0.82 -0.06 0.00 -2.02 0.00 0.00 58.31 57.05 1sms n LYS 245 Cb 0.00 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1sms n LYS 245 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1sms h ILE 246 N 0.00 0.00 -0.78 -0.18 2.04 -1.53 1.11 117.51 118.18 1sms h ILE 246 Ca 0.35 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.24 1sms h ILE 246 Cb 0.77 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1sms h ILE 246 CO -0.51 0.00 0.52 0.40 0.00 0.00 0.00 178.15 178.56 1sms h ILE 247 N -0.32 1.15 0.31 -0.67 5.03 -0.17 -0.86 117.51 121.98 1sms h ILE 247 Ca -0.01 -0.34 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1sms h ILE 247 Cb 0.30 0.07 -0.02 0.00 -3.03 0.00 0.00 36.82 34.14 1sms h ILE 247 CO -0.07 0.18 -0.33 0.74 -0.68 0.00 0.00 178.15 177.99 1sms h THR 248 N 1.00 0.30 -0.50 -0.27 2.02 -0.05 0.13 112.91 115.54 1sms h THR 248 Ca 0.30 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.57 1sms h THR 248 Cb -0.02 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 66.62 1sms h THR 248 CO -0.08 0.00 0.09 -0.33 0.37 0.00 0.00 175.52 175.57 1sms h GLU 249 N -0.68 0.22 -0.67 6.66 5.08 0.21 -1.77 114.58 123.62 1sms h GLU 249 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sms h GLU 249 Cb 0.63 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1sms h GLU 249 CO -0.08 0.14 0.44 0.00 -1.00 0.00 0.00 179.01 178.51 1sms h ALA 250 N 1.40 0.85 0.06 3.43 0.00 -0.81 -1.70 119.26 122.50 1sms h ALA 250 Ca 0.25 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1sms h ALA 250 Cb 0.35 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1sms h ALA 250 CO -0.34 0.29 -0.52 0.28 0.00 0.00 0.00 179.25 178.96 1sms h VAL 251 N 0.91 0.00 -0.13 0.00 2.07 0.13 0.28 116.25 119.51 1sms h VAL 251 Ca 0.24 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.80 1sms h VAL 251 Cb -0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.65 1sms h VAL 251 CO -0.05 0.00 -0.07 -0.33 0.02 0.00 0.00 177.57 177.14 1sms h GLU 252 N -0.69 -0.05 -0.71 1.57 3.07 -1.31 -2.10 114.58 114.35 1sms h GLU 252 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 1sms h GLU 252 Cb 0.72 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.57 1sms h GLU 252 CO -0.31 -0.03 0.34 0.82 -1.40 0.00 0.00 179.01 178.43 1sms h ILE 253 N -0.05 0.82 0.12 3.13 2.04 -1.10 -2.72 117.51 119.75 1sms h ILE 253 Ca 0.07 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1sms h ILE 253 Cb 0.16 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1sms h ILE 253 CO -0.17 0.10 -0.49 -0.08 0.00 0.00 0.00 178.15 177.52 1sms h GLU 254 N 0.57 -0.69 -0.41 2.37 4.57 -0.27 -3.11 114.58 117.62 1sms h GLU 254 Ca 0.35 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.63 1sms h GLU 254 Cb 0.40 0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 29.07 1sms h GLU 254 CO -0.29 -0.46 -0.45 0.87 -1.18 0.00 0.00 179.01 177.50 1sms h LYS 255 N -0.72 -0.26 -0.23 1.92 1.57 -1.15 -2.65 116.57 115.06 1sms h LYS 255 Ca 0.01 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1sms h LYS 255 Cb 0.73 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 1sms h LYS 255 CO -0.27 -0.17 0.08 0.39 -0.57 0.00 0.00 179.45 178.90 1sms n GLU 256 N -4.83 -0.02 -0.31 3.15 1.02 -1.15 0.73 120.64 119.24 1sms n GLU 256 Ca -0.02 0.32 0.09 0.00 -0.02 0.00 0.00 57.16 57.53 1sms n GLU 256 Cb 0.26 -0.55 0.30 0.00 -0.02 0.00 0.00 31.44 31.43 1sms n GLU 256 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1sms h TYR 257 N 0.00 1.00 0.00 -0.32 -1.99 -1.60 -0.37 116.97 113.68 1sms h TYR 257 Ca 0.17 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1sms h TYR 257 Cb 0.42 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1sms h TYR 257 CO -0.04 0.41 -0.32 0.66 -0.00 0.00 0.00 178.16 178.86 1sms n TYR 258 N -4.58 0.16 0.16 4.88 4.02 0.22 -0.15 117.16 121.88 1sms n TYR 258 Ca 0.17 0.05 0.08 0.00 -0.01 0.00 0.00 57.90 58.19 1sms n TYR 258 Cb 0.38 -0.45 -0.12 0.00 -0.02 0.00 0.00 39.34 39.13 1sms n TYR 258 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1sms n SER 259 N -1.66 1.18 0.00 7.72 7.64 -1.00 -4.29 113.62 123.20 1sms n SER 259 Ca 0.06 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1sms n SER 259 Cb 0.36 1.58 0.00 0.00 -1.01 0.00 0.00 64.21 65.14 1sms n SER 259 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1sms n ASN 260 N -1.91 0.00 0.00 6.43 2.85 -0.18 -5.00 115.26 117.45 1sms n ASN 260 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1sms n ASN 260 Cb 0.38 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.40 1sms n ASN 260 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1sms n SER 261 N -0.84 0.00 -4.64 1.20 2.88 -0.90 -4.74 113.62 106.58 1sms n SER 261 Ca 0.00 0.14 -0.41 0.00 -1.33 0.00 0.00 58.87 57.27 1sms n SER 261 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1sms n SER 261 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1sms s LEU 262 N -0.29 4.10 0.00 2.46 1.43 0.79 -4.97 118.68 122.20 1sms s LEU 262 Ca 0.00 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1sms s LEU 262 Cb 0.00 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1sms s LEU 262 CO 0.00 -0.37 0.00 -2.65 0.23 0.00 0.00 176.35 173.56 1sms n PRO 263 N 5.52 0.00 0.00 1.29 -0.02 -1.26 -3.72 135.00 136.82 1sms n PRO 263 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1sms n PRO 263 Cb 0.49 -0.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1sms n PRO 263 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sms n VAL 264 N 0.00 0.00 -0.11 -1.45 0.31 -1.26 -4.45 118.33 111.37 1sms n VAL 264 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1sms n VAL 264 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 1sms n VAL 264 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1sms n GLU 265 N -1.18 0.56 0.19 5.55 4.07 -1.26 -0.38 120.64 128.20 1sms n GLU 265 Ca 0.00 0.35 0.08 0.00 -0.06 0.00 0.00 57.16 57.53 1sms n GLU 265 Cb 0.00 -1.56 0.21 0.00 -0.06 0.00 0.00 31.44 30.04 1sms n GLU 265 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1sms h LYS 266 N -1.00 0.00 -0.39 5.31 1.57 -1.90 -3.16 116.57 117.00 1sms h LYS 266 Ca -0.41 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 1sms h LYS 266 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1sms h LYS 266 CO -0.25 0.26 -0.16 0.35 -0.57 0.00 0.00 179.45 179.08 1sms h PHE 267 N 0.00 0.91 0.00 -1.35 3.57 -1.85 -3.41 116.94 114.80 1sms h PHE 267 Ca -0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1sms h PHE 267 Cb 1.07 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1sms h PHE 267 CO 0.00 0.96 0.00 0.41 -2.23 0.00 0.00 178.31 177.45 1sms n GLY 268 N -0.09 0.52 3.20 2.40 0.00 -1.19 -4.77 105.19 105.26 1sms n GLY 268 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1sms n GLY 268 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sms s MET 269 N 0.00 0.95 -1.35 1.61 1.75 0.49 -5.02 119.30 117.73 1sms s MET 269 Ca 0.00 -1.31 -0.13 0.00 -1.25 0.00 0.00 55.69 52.99 1sms s MET 269 Cb 0.00 0.28 0.10 0.00 2.84 0.00 0.00 34.83 38.05 1sms s MET 269 CO 0.00 -0.29 1.96 -0.25 -0.65 0.00 0.00 175.02 175.79 1sms n ASP 270 N -0.10 4.55 0.00 1.11 8.00 -1.26 -4.16 116.55 124.69 1sms n ASP 270 Ca -0.08 -2.95 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1sms n ASP 270 Cb 0.63 -1.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 1sms n ASP 270 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sms n LEU 271 N 5.83 0.00 0.33 0.64 7.94 -1.26 1.00 117.00 131.48 1sms n LEU 271 Ca 0.46 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.50 1sms n LEU 271 Cb 0.40 0.00 0.74 0.00 0.53 0.00 0.00 43.42 45.09 1sms n LEU 271 CO 0.82 0.00 1.12 0.50 -1.11 0.00 0.00 177.39 178.72 1sms h LYS 272 N 0.00 0.00 0.02 1.96 3.64 -1.98 -0.47 116.57 119.73 1sms h LYS 272 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sms h LYS 272 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sms h LYS 272 CO 0.00 0.00 -0.01 0.66 -2.27 0.00 0.00 179.45 177.83 1sms h SER 273 N 0.00 -0.02 -0.44 4.20 4.64 0.23 -2.77 113.55 119.39 1sms h SER 273 Ca 0.01 -0.61 0.07 0.00 -0.47 0.00 0.00 61.79 60.79 1sms h SER 273 Cb 0.81 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.84 1sms h SER 273 CO -0.00 0.77 0.09 0.40 -0.87 0.00 0.00 176.83 177.22 1sms h ILE 274 N -0.98 0.76 -0.97 0.95 1.08 -1.40 0.38 117.51 117.33 1sms h ILE 274 Ca -0.00 -0.08 0.23 0.00 -0.39 0.00 0.00 64.86 64.62 1sms h ILE 274 Cb 0.62 0.52 -0.12 0.00 -3.07 0.00 0.00 36.82 34.77 1sms h ILE 274 CO 0.00 0.04 0.55 0.45 -0.69 0.00 0.00 178.15 178.50 1sms h HIS 275 N 0.22 0.94 0.06 1.37 3.86 -1.23 -0.38 115.15 119.99 1sms h HIS 275 Ca 0.22 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.33 1sms h HIS 275 Cb 0.27 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.50 1sms h HIS 275 CO -0.21 0.08 -0.58 1.79 0.86 0.00 0.00 177.93 179.87 1sms h THR 276 N 0.58 1.52 -0.32 2.45 1.35 -0.54 -3.21 112.91 114.72 1sms h THR 276 Ca 0.61 -2.27 0.06 0.00 -0.55 0.00 0.00 66.41 64.26 1sms h THR 276 Cb 1.10 2.95 -0.06 0.00 -1.73 0.00 0.00 68.15 70.42 1sms h THR 276 CO -0.46 0.64 -0.03 0.22 -0.25 0.00 0.00 175.52 175.63 1sms h TYR 277 N -0.36 -0.08 -0.84 4.73 3.20 0.55 0.33 116.97 124.49 1sms h TYR 277 Ca -0.09 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.02 1sms h TYR 277 Cb 1.37 0.09 -0.14 0.00 1.54 0.00 0.00 36.73 39.58 1sms h TYR 277 CO 0.18 -0.09 0.13 0.82 -1.64 0.00 0.00 178.16 177.56 1sms h ILE 278 N 0.05 0.30 -1.00 1.81 2.04 -1.21 1.07 117.51 120.58 1sms h ILE 278 Ca 0.16 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1sms h ILE 278 Cb 0.22 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 1sms h ILE 278 CO -0.29 0.03 0.65 -0.33 0.00 0.00 0.00 178.15 178.21 1sms h GLU 279 N 0.15 1.32 0.06 2.37 5.08 -0.45 -2.44 114.58 120.67 1sms h GLU 279 Ca 0.50 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1sms h GLU 279 Cb 0.96 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1sms h GLU 279 CO -0.68 0.88 -0.08 0.35 -1.00 0.00 0.00 179.01 178.48 1sms h PHE 280 N 1.35 -0.22 -0.91 4.33 3.57 0.30 -2.13 116.94 123.23 1sms h PHE 280 Ca 0.36 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.95 1sms h PHE 280 Cb -0.14 0.09 -0.11 0.00 2.79 0.00 0.00 35.95 38.58 1sms h PHE 280 CO 0.00 -0.10 -0.54 0.28 -2.23 0.00 0.00 178.31 175.72 1sms n VAL 281 N -2.80 -0.62 -0.28 1.41 0.31 -0.63 -1.01 118.33 114.71 1sms n VAL 281 Ca -0.02 2.22 0.10 0.00 -0.01 0.00 0.00 64.34 66.63 1sms n VAL 281 Cb 0.07 -2.74 0.23 0.00 -0.91 0.00 0.00 33.84 30.49 1sms n VAL 281 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sms h ALA 282 N 0.44 1.09 0.26 3.52 0.00 -1.28 -0.65 119.26 122.65 1sms h ALA 282 Ca 0.15 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1sms h ALA 282 Cb 0.37 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sms h ALA 282 CO -0.85 -0.43 -0.13 -0.44 0.00 0.00 0.00 179.25 177.40 1sms h ASP 283 N 0.19 -0.30 -0.38 0.00 5.19 -0.38 0.71 116.42 121.46 1sms h ASP 283 Ca 0.49 -0.11 0.11 0.00 -0.62 0.00 0.00 57.03 56.90 1sms h ASP 283 Cb 0.94 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1sms h ASP 283 CO -0.64 -0.07 0.41 1.23 -3.12 0.00 0.00 179.24 177.05 1sms h GLY 284 N -0.53 0.00 1.40 2.75 0.00 -0.85 1.12 103.07 106.95 1sms h GLY 284 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.02 1sms h GLY 284 CO 0.06 0.00 -1.42 -2.00 0.00 0.00 0.00 176.54 173.18 1sms h LEU 285 N 0.00 0.22 -0.69 3.11 5.85 -0.38 -2.76 115.31 120.66 1sms h LEU 285 Ca 0.18 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1sms h LEU 285 Cb 0.99 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1sms h LEU 285 CO -0.00 1.25 0.15 -0.07 -0.34 0.00 0.00 178.44 179.42 1sms h LEU 286 N 0.04 1.06 -0.08 2.25 -0.00 0.74 -2.82 115.31 116.50 1sms h LEU 286 Ca -0.19 -0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1sms h LEU 286 Cb 1.95 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 42.33 1sms h LEU 286 CO 0.14 1.03 0.02 1.56 -0.00 0.00 0.00 178.44 181.19 1sms h GLN 287 N 1.05 0.14 0.00 1.13 4.20 -0.07 -1.90 115.11 119.66 1sms h GLN 287 Ca 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1sms h GLN 287 Cb 0.40 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1sms h GLN 287 CO 0.01 0.34 0.00 0.41 -0.67 0.00 0.00 178.83 178.91 1sms n GLY 288 N -0.46 0.00 0.33 3.46 0.00 -1.04 0.42 105.19 107.90 1sms n GLY 288 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1sms n GLY 288 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sms n PHE 289 N -0.48 0.00 -2.91 1.61 3.01 -1.11 -4.93 117.46 112.65 1sms n PHE 289 Ca 0.00 -0.28 -0.08 0.00 1.01 0.00 0.00 57.45 58.10 1sms n PHE 289 Cb 0.00 -0.07 0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1sms n PHE 289 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sms n GLY 290 N -0.40 -0.93 3.30 1.37 0.00 0.17 -5.04 105.19 103.65 1sms n GLY 290 Ca 0.04 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 1sms n GLY 290 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sms s ASN 291 N -3.14 -0.55 0.57 1.61 2.47 -0.73 -4.92 114.94 110.25 1sms s ASN 291 Ca 0.24 0.94 -0.21 0.00 0.42 0.00 0.00 52.86 54.26 1sms s ASN 291 Cb -0.03 0.82 -0.04 0.00 -1.45 0.00 0.00 41.25 40.55 1sms s ASN 291 CO 0.63 -0.20 1.33 -0.62 -3.72 0.00 0.00 177.10 174.52 1sms n GLU 292 N 4.27 1.55 -1.58 0.43 1.02 -1.26 -2.59 120.64 122.47 1sms n GLU 292 Ca -0.23 0.57 -0.37 0.00 -0.02 0.00 0.00 57.16 57.11 1sms n GLU 292 Cb 0.55 -2.55 0.06 0.00 -0.02 0.00 0.00 31.44 29.49 1sms n GLU 292 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sms n LYS 293 N -1.19 0.83 0.00 3.49 5.02 -1.26 -4.79 118.16 120.26 1sms n LYS 293 Ca 0.12 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1sms n LYS 293 Cb 0.45 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 1sms n LYS 293 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1sms n TYR 294 N -1.95 0.00 -0.27 2.13 9.36 -1.26 -4.80 117.16 120.37 1sms n TYR 294 Ca 0.14 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.51 1sms n TYR 294 Cb 0.48 0.00 0.43 0.00 -0.63 0.00 0.00 39.34 39.62 1sms n TYR 294 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1sms h TYR 295 N 0.00 0.73 -3.40 2.98 -1.99 -1.94 -3.45 116.97 109.90 1sms h TYR 295 Ca 0.00 0.02 -0.35 0.00 2.00 0.00 0.00 58.73 60.40 1sms h TYR 295 Cb 0.00 -0.23 0.03 0.00 2.00 0.00 0.00 36.73 38.53 1sms h TYR 295 CO 0.00 0.22 -0.49 0.09 -0.00 0.00 0.00 178.16 177.98 1sms n ASN 296 N -4.57 -5.36 -3.79 3.88 3.02 -1.26 -4.98 115.26 102.20 1sms n ASN 296 Ca 0.19 -0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.27 1sms n ASN 296 Cb 0.58 -4.28 0.25 0.00 -0.61 0.00 0.00 39.78 35.72 1sms n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sms s ALA 297 N -3.02 0.33 -0.06 5.41 0.00 -1.26 -5.07 121.76 118.09 1sms s ALA 297 Ca 0.17 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1sms s ALA 297 Cb -0.07 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1sms s ALA 297 CO 0.21 -3.77 0.13 0.54 0.00 0.00 0.00 175.76 172.87 1sms s VAL 298 N -2.86 -0.08 -0.38 0.00 0.11 -1.26 -4.88 120.40 111.06 1sms s VAL 298 Ca 0.70 0.21 -0.43 0.00 -2.93 0.00 0.00 61.98 59.54 1sms s VAL 298 Cb -0.11 -0.22 -0.17 0.00 -1.53 0.00 0.00 36.38 34.34 1sms s VAL 298 CO 0.57 0.09 1.73 -3.20 -3.33 0.00 0.00 175.10 170.96 1sms n ASN 299 N 4.37 1.88 0.12 3.54 2.85 -1.26 -4.80 115.26 121.97 1sms n ASN 299 Ca -0.23 1.07 0.11 0.00 -0.11 0.00 0.00 54.58 55.42 1sms n ASN 299 Cb 0.51 -1.04 0.02 0.00 1.24 0.00 0.00 39.78 40.52 1sms n ASN 299 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1sms h PRO 300 N 6.73 0.00 -6.43 1.20 0.11 -1.94 -3.47 132.00 128.20 1sms h PRO 300 Ca -0.43 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.03 1sms h PRO 300 Cb 1.34 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.18 1sms h PRO 300 CO 0.98 0.01 -0.87 -0.06 -0.21 0.00 0.00 178.00 177.85 1sms s PHE 301 N -3.33 2.10 -0.61 0.65 0.08 -1.26 -5.05 117.98 110.57 1sms s PHE 301 Ca 0.01 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.40 1sms s PHE 301 Cb 0.09 -1.27 -0.10 0.00 -0.57 0.00 0.00 43.02 41.16 1sms s PHE 301 CO 0.77 0.08 2.43 0.39 -0.10 0.00 0.00 175.22 178.79 1sms n GLU 302 N 1.93 0.84 -4.18 0.44 4.71 -1.26 -4.90 120.64 118.22 1sms n GLU 302 Ca -0.17 -0.25 -0.30 0.00 -0.01 0.00 0.00 57.16 56.43 1sms n GLU 302 Cb 0.52 -3.40 -0.09 0.00 -1.01 0.00 0.00 31.44 27.46 1sms n GLU 302 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1sms s PHE 303 N 12.69 2.85 -0.00 -0.32 0.40 -1.26 -5.09 117.98 127.25 1sms s PHE 303 Ca 0.99 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 57.22 1sms s PHE 303 Cb -0.22 -1.47 -0.00 0.00 0.51 0.00 0.00 43.02 41.84 1sms s PHE 303 CO 0.22 0.46 -0.02 1.41 0.70 0.00 0.00 175.22 177.99 1sms s MET 304 N -2.30 0.14 -0.11 0.44 -2.45 -1.26 -5.22 119.30 108.53 1sms s MET 304 Ca 0.24 -0.06 -0.04 0.00 -1.25 0.00 0.00 55.69 54.58 1sms s MET 304 Cb -0.11 -0.13 -0.01 0.00 1.25 0.00 0.00 34.83 35.82 1sms s MET 304 CO 0.16 0.04 -0.07 1.05 1.05 0.00 0.00 175.02 177.24 1sms h GLU 305 N 6.10 0.00 0.00 4.11 9.09 -1.99 -3.51 114.58 128.38 1sms h GLU 305 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.16 1sms h GLU 305 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1sms h GLU 305 CO 0.51 0.00 0.00 0.34 0.05 0.00 0.00 179.01 179.91 1sms n PHE 315 N -4.39 0.00 0.18 2.06 7.35 -1.26 -4.10 117.46 117.29 1sms n PHE 315 Ca -0.03 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.51 1sms n PHE 315 Cb 0.11 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.87 1sms n PHE 315 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1sms h PHE 316 N 0.00 -1.03 0.56 -5.13 -0.00 -2.04 0.92 116.94 110.21 1sms h PHE 316 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 57.96 1sms h PHE 316 Cb 0.00 0.42 0.01 0.00 -0.00 0.00 0.00 35.95 36.37 1sms h PHE 316 CO 0.00 -0.50 -0.27 0.93 -0.00 0.00 0.00 178.31 178.47 1sms h GLU 317 N -0.69 -0.72 -0.31 1.11 5.08 -2.05 -0.51 114.58 116.49 1sms h GLU 317 Ca -0.00 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1sms h GLU 317 Cb 0.67 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 1sms h GLU 317 CO -0.14 -0.48 -0.40 0.87 -1.00 0.00 0.00 179.01 177.86 1sms h LYS 318 N -0.77 -0.35 0.00 2.33 1.57 -1.96 0.26 116.57 117.65 1sms h LYS 318 Ca -0.08 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1sms h LYS 318 Cb 0.58 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1sms h LYS 318 CO 0.13 -0.23 -0.07 0.87 -0.57 0.00 0.00 179.45 179.57 1sms h LYS 319 N -0.36 0.00 0.16 3.15 1.79 -0.81 0.80 116.57 121.30 1sms h LYS 319 Ca 0.12 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1sms h LYS 319 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1sms h LYS 319 CO -0.50 0.07 -0.08 0.28 -1.08 0.00 0.00 179.45 178.14 1sms h VAL 320 N 0.00 0.97 0.00 0.50 2.07 0.11 -3.16 116.25 116.74 1sms h VAL 320 Ca -0.00 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1sms h VAL 320 Cb 0.29 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1sms h VAL 320 CO 0.01 0.20 -0.41 0.77 0.02 0.00 0.00 177.57 178.15 1sms h SER 321 N -0.67 0.00 -0.00 0.57 4.64 -0.68 -2.59 113.55 114.82 1sms h SER 321 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1sms h SER 321 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1sms h SER 321 CO 0.04 0.41 0.00 0.44 -0.87 0.00 0.00 176.83 176.85 1sms h ASP 322 N 0.00 0.00 -0.76 4.97 5.19 -0.86 0.11 116.42 125.07 1sms h ASP 322 Ca -0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 1sms h ASP 322 Cb 0.91 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.13 1sms h ASP 322 CO 0.05 0.00 0.07 -1.22 -3.12 0.00 0.00 179.24 175.02 1sms n TYR 323 N -3.79 2.53 0.00 4.55 4.02 -0.98 -3.79 117.16 119.71 1sms n TYR 323 Ca -0.03 -2.32 0.00 0.00 -0.01 0.00 0.00 57.90 55.54 1sms n TYR 323 Cb 0.08 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 38.59 1sms n TYR 323 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1sms n GLN 324 N -0.92 1.67 0.00 -0.72 6.02 0.34 -5.03 117.38 118.73 1sms n GLN 324 Ca 0.49 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.58 1sms n GLN 324 Cb 0.94 -0.87 0.08 0.00 1.02 0.00 0.00 30.24 31.41 1sms n GLN 324 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68