#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcm s GLN 2 N 0.00 1.20 0.16 2.12 -2.07 -1.26 -5.12 119.66 114.69 1jcm s GLN 2 Ca 0.00 -1.29 -0.33 0.00 -1.82 0.00 0.00 55.36 51.92 1jcm s GLN 2 Cb 0.00 0.36 -0.16 0.00 -1.09 0.00 0.00 33.01 32.12 1jcm s GLN 2 CO 0.00 -0.43 1.23 0.00 -1.32 0.00 0.00 175.29 174.76 1jcm h VAL 4 N 2.84 1.24 -0.01 0.00 2.07 -1.42 -2.00 116.25 118.98 1jcm h VAL 4 Ca -0.44 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1jcm h VAL 4 Cb 1.33 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1jcm h VAL 4 CO 0.72 0.30 -0.11 0.25 0.02 0.00 0.00 177.57 178.76 1jcm h LEU 5 N 1.02 0.01 0.71 2.57 5.85 -1.50 -1.92 115.31 122.05 1jcm h LEU 5 Ca 0.24 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1jcm h LEU 5 Cb 0.18 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.21 1jcm h LEU 5 CO -0.02 0.12 -0.34 0.00 -0.34 0.00 0.00 178.44 177.85 1jcm h ALA 6 N 1.88 -0.95 -0.61 1.25 0.00 -1.66 -1.76 119.26 117.41 1jcm h ALA 6 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.81 1jcm h ALA 6 Cb 0.20 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1jcm h ALA 6 CO 0.01 -1.03 0.18 -0.22 0.00 0.00 0.00 179.25 178.20 1jcm h LYS 7 N -0.97 0.32 -0.34 0.00 1.63 -1.23 -2.37 116.57 113.61 1jcm h LYS 7 Ca -0.10 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1jcm h LYS 7 Cb 0.73 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.22 1jcm h LYS 7 CO 0.16 0.21 -0.12 0.82 -3.45 0.00 0.00 179.45 177.07 1jcm h ILE 8 N 0.33 0.58 -0.67 2.00 2.04 -1.04 -2.08 117.51 118.67 1jcm h ILE 8 Ca 0.32 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.14 1jcm h ILE 8 Cb 0.44 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1jcm h ILE 8 CO -0.36 0.00 0.27 -0.37 0.00 0.00 0.00 178.15 177.69 1jcm h VAL 9 N -0.05 1.23 -0.03 1.67 -1.51 -0.83 0.30 116.25 117.03 1jcm h VAL 9 Ca 0.17 -0.71 0.04 0.00 -1.23 0.00 0.00 66.70 64.97 1jcm h VAL 9 Cb 0.31 0.43 -0.06 0.00 -2.13 0.00 0.00 31.29 29.84 1jcm h VAL 9 CO -0.38 0.29 -0.35 0.00 -1.23 0.00 0.00 177.57 175.90 1jcm h ALA 10 N 1.34 -0.50 0.00 5.19 0.00 -0.98 -1.08 119.26 123.23 1jcm h ALA 10 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1jcm h ALA 10 Cb 0.17 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1jcm h ALA 10 CO -0.02 -0.86 -0.19 -0.44 0.00 0.00 0.00 179.25 177.75 1jcm h ASP 11 N -0.48 0.00 0.33 0.00 5.19 -0.95 -2.63 116.42 117.88 1jcm h ASP 11 Ca 0.07 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 1jcm h ASP 11 Cb 0.58 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1jcm h ASP 11 CO -0.30 0.19 -0.61 0.50 -3.12 0.00 0.00 179.24 175.89 1jcm h LYS 12 N 0.00 0.28 -0.13 3.56 1.63 0.24 -1.33 116.57 120.82 1jcm h LYS 12 Ca -0.00 -0.19 -0.06 0.00 -0.85 0.00 0.00 60.65 59.54 1jcm h LYS 12 Cb 0.41 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1jcm h LYS 12 CO 0.02 0.80 -0.17 0.00 -3.45 0.00 0.00 179.45 176.66 1jcm h ALA 13 N 1.15 0.19 0.00 5.00 0.00 -0.92 -1.76 119.26 122.92 1jcm h ALA 13 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1jcm h ALA 13 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jcm h ALA 13 CO 0.10 0.10 0.00 0.82 0.00 0.00 0.00 179.25 180.27 1jcm h ILE 14 N -0.06 0.00 0.07 0.00 2.04 -1.46 -2.95 117.51 115.15 1jcm h ILE 14 Ca 0.02 -0.25 -0.22 0.00 1.00 0.00 0.00 64.86 65.41 1jcm h ILE 14 Cb 0.72 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1jcm h ILE 14 CO 0.04 0.00 -1.14 -0.25 0.00 0.00 0.00 178.15 176.80 1jcm h TRP 15 N 0.00 0.25 -0.97 1.37 7.01 -1.01 -3.22 115.95 119.39 1jcm h TRP 15 Ca 0.00 -0.19 0.02 0.00 2.11 0.00 0.00 58.89 60.84 1jcm h TRP 15 Cb 0.28 -0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.28 1jcm h TRP 15 CO 0.00 1.44 0.64 -0.39 -2.79 0.00 0.00 178.44 177.35 1jcm h VAL 16 N -0.60 1.22 0.46 2.65 -1.51 -1.16 -2.71 116.25 114.59 1jcm h VAL 16 Ca -0.26 -0.44 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 1jcm h VAL 16 Cb 1.52 -0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1jcm h VAL 16 CO -0.02 0.23 -0.22 -0.33 -1.23 0.00 0.00 177.57 176.00 1jcm h GLU 17 N 1.28 -0.60 0.00 5.19 4.39 -1.68 2.41 114.58 125.57 1jcm h GLU 17 Ca 0.37 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1jcm h GLU 17 Cb -0.09 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1jcm h GLU 17 CO -0.09 -0.34 0.21 0.00 -1.16 0.00 0.00 179.01 177.62 1jcm n ALA 18 N -2.43 0.66 -0.01 3.43 0.00 -1.08 -0.30 120.51 120.78 1jcm n ALA 18 Ca -0.11 0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jcm n ALA 18 Cb 0.28 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1jcm n ALA 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jcm n ARG 19 N -1.59 2.02 0.15 0.00 0.63 -0.60 -4.02 116.66 113.25 1jcm n ARG 19 Ca -0.00 -0.02 -0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1jcm n ARG 19 Cb 0.22 -1.10 0.21 0.00 0.45 0.00 0.00 32.46 32.23 1jcm n ARG 19 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1jcm h LYS 20 N 0.00 0.00 -0.22 -0.14 1.57 0.67 1.21 116.57 119.65 1jcm h LYS 20 Ca -0.06 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1jcm h LYS 20 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1jcm h LYS 20 CO 0.00 0.57 -0.44 1.96 -0.57 0.00 0.00 179.45 180.97 1jcm h GLN 21 N 0.00 0.69 0.16 3.15 1.08 -0.86 -2.95 115.11 116.38 1jcm h GLN 21 Ca -0.01 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 56.74 1jcm h GLN 21 Cb 1.02 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1jcm h GLN 21 CO 0.07 1.07 -0.08 0.37 -0.95 0.00 0.00 178.83 179.32 1jcm h GLN 22 N 0.40 -0.21 -3.08 1.46 4.15 -1.58 -3.41 115.11 112.85 1jcm h GLN 22 Ca 0.01 0.01 -0.68 0.00 0.77 0.00 0.00 58.65 58.76 1jcm h GLN 22 Cb 1.04 0.05 -0.37 0.00 0.21 0.00 0.00 27.48 28.41 1jcm h GLN 22 CO 0.10 -0.14 -0.18 0.94 -1.93 0.00 0.00 178.83 177.62 1jcm n GLN 23 N -3.56 2.63 -1.40 1.69 7.27 0.41 -5.07 117.38 119.34 1jcm n GLN 23 Ca -0.03 -4.52 -0.34 0.00 0.07 0.00 0.00 57.00 52.18 1jcm n GLN 23 Cb 0.08 -2.38 0.10 0.00 2.41 0.00 0.00 30.24 30.46 1jcm n GLN 23 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1jcm s PRO 24 N -1.68 2.09 0.31 3.69 0.02 -1.11 -4.56 135.00 133.76 1jcm s PRO 24 Ca 0.29 1.76 0.06 0.00 0.02 0.00 0.00 61.00 63.14 1jcm s PRO 24 Cb -0.02 -1.83 0.75 0.00 0.02 0.00 0.00 34.50 33.42 1jcm s PRO 24 CO -0.10 -1.87 1.78 1.25 -0.33 0.00 0.00 177.00 177.72 1jcm h LEU 25 N -0.35 0.77 -1.64 -5.54 5.85 -1.94 -1.27 115.31 111.19 1jcm h LEU 25 Ca -0.48 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1jcm h LEU 25 Cb 1.30 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1jcm h LEU 25 CO 0.49 0.27 0.34 0.00 -0.34 0.00 0.00 178.44 179.21 1jcm h ALA 26 N 1.64 1.91 0.00 1.25 0.00 -1.98 0.86 119.26 122.95 1jcm h ALA 26 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1jcm h ALA 26 Cb 0.91 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1jcm h ALA 26 CO -0.37 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 1jcm n SER 27 N -4.47 0.28 0.00 0.00 3.41 -0.48 -3.93 113.62 108.43 1jcm n SER 27 Ca 0.07 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1jcm n SER 27 Cb 0.25 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1jcm n SER 27 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1jcm n PHE 28 N -0.23 0.00 0.00 7.33 1.16 -0.97 -5.01 117.46 119.74 1jcm n PHE 28 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1jcm n PHE 28 Cb 0.07 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.94 1jcm n PHE 28 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83 1jcm n GLN 29 N 0.00 0.00 0.00 3.97 7.27 0.30 -1.01 117.38 127.91 1jcm n GLN 29 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1jcm n GLN 29 Cb 0.00 -0.20 0.00 0.00 2.41 0.00 0.00 30.24 32.45 1jcm n GLN 29 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1jcm n ASN 30 N 0.00 0.00 0.00 1.69 0.23 -1.26 -1.23 115.26 114.69 1jcm n ASN 30 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jcm n ASN 30 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1jcm n ASN 30 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jcm n GLU 31 N 0.86 0.99 -3.41 -3.83 1.02 -0.18 -4.96 120.64 111.13 1jcm n GLU 31 Ca 0.00 -0.35 -0.44 0.00 -0.02 0.00 0.00 57.16 56.35 1jcm n GLU 31 Cb 0.00 -0.84 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 1jcm n GLU 31 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1jcm s VAL 32 N -0.24 5.23 0.47 2.62 -7.23 -0.36 -5.06 120.40 115.82 1jcm s VAL 32 Ca 0.00 -0.80 -0.21 0.00 -1.81 0.00 0.00 61.98 59.16 1jcm s VAL 32 Cb 0.00 -4.03 -0.09 0.00 0.56 0.00 0.00 36.38 32.82 1jcm s VAL 32 CO 0.00 -0.45 1.03 -1.10 -0.31 0.00 0.00 175.10 174.27 1jcm s GLN 33 N 1.72 3.89 1.11 4.82 1.11 -1.26 -5.02 119.66 126.04 1jcm s GLN 33 Ca 0.05 1.34 -0.20 0.00 0.01 0.00 0.00 55.36 56.56 1jcm s GLN 33 Cb -0.21 -2.14 0.07 0.00 -1.01 0.00 0.00 33.01 29.72 1jcm s GLN 33 CO 0.09 -0.35 -0.19 -2.30 0.01 0.00 0.00 175.29 172.55 1jcm n PRO 34 N -0.85 -1.47 -2.67 2.91 -0.02 -1.26 -4.88 135.00 126.77 1jcm n PRO 34 Ca 0.09 -0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 60.73 1jcm n PRO 34 Cb 0.53 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 1jcm n PRO 34 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jcm s SER 35 N -1.74 7.25 -0.36 2.55 0.15 0.12 -4.92 113.70 116.75 1jcm s SER 35 Ca 0.53 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.78 1jcm s SER 35 Cb -0.08 -2.56 0.33 0.00 -1.71 0.00 0.00 66.02 62.00 1jcm s SER 35 CO 0.65 -0.42 1.85 0.35 1.20 0.00 0.00 173.24 176.87 1jcm n THR 36 N 4.40 2.77 -3.78 6.45 -2.24 -1.26 -4.82 114.28 115.79 1jcm n THR 36 Ca 0.08 -1.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.04 1jcm n THR 36 Cb 0.49 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 1jcm n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jcm s ARG 37 N -2.25 0.49 -0.39 -0.78 0.52 -1.26 -5.13 118.95 110.15 1jcm s ARG 37 Ca 0.38 0.11 -0.06 0.00 -0.52 0.00 0.00 55.73 55.65 1jcm s ARG 37 Cb 0.31 0.22 0.08 0.00 0.52 0.00 0.00 34.95 36.08 1jcm s ARG 37 CO 0.02 -0.10 0.20 -1.58 0.02 0.00 0.00 175.30 173.86 1jcm s HIS 38 N -0.55 3.40 0.05 -0.53 2.46 -1.26 -4.92 115.29 113.94 1jcm s HIS 38 Ca -0.07 -1.86 -0.34 0.00 0.47 0.00 0.00 55.06 53.27 1jcm s HIS 38 Cb -0.04 -2.89 -0.19 0.00 -0.13 0.00 0.00 32.58 29.33 1jcm s HIS 38 CO 0.02 -0.88 1.48 0.35 -2.47 0.00 0.00 174.74 173.24 1jcm h PHE 39 N 8.22 -1.03 -0.80 3.88 3.57 -1.93 -2.28 116.94 126.57 1jcm h PHE 39 Ca -0.19 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.47 1jcm h PHE 39 Cb 1.07 0.34 -0.14 0.00 2.79 0.00 0.00 35.95 40.01 1jcm h PHE 39 CO 0.59 -0.63 0.08 1.88 -2.23 0.00 0.00 178.31 178.00 1jcm h TYR 40 N -1.19 0.08 -0.06 0.41 0.05 -1.95 -1.40 116.97 112.92 1jcm h TYR 40 Ca -0.11 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1jcm h TYR 40 Cb 0.86 0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 1jcm h TYR 40 CO -0.01 -0.23 -0.00 0.22 -1.05 0.00 0.00 178.16 177.09 1jcm h ASP 41 N 0.14 0.10 -0.11 3.88 3.58 -1.98 -3.13 116.42 118.89 1jcm h ASP 41 Ca 0.46 -0.31 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1jcm h ASP 41 Cb 0.85 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 1jcm h ASP 41 CO -0.67 0.39 0.49 0.00 -2.88 0.00 0.00 179.24 176.57 1jcm h ALA 42 N 0.71 1.64 -0.16 -0.78 0.00 -0.64 0.50 119.26 120.52 1jcm h ALA 42 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jcm h ALA 42 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jcm h ALA 42 CO 0.00 -0.54 0.00 1.28 0.00 0.00 0.00 179.25 179.99 1jcm n LEU 43 N -2.99 2.94 -4.84 0.00 4.77 -1.13 -4.85 117.00 110.89 1jcm n LEU 43 Ca 0.01 -1.22 -0.32 0.00 -0.03 0.00 0.00 56.01 54.45 1jcm n LEU 43 Cb 0.56 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1jcm n LEU 43 CO 0.14 0.57 0.62 -1.10 -1.33 0.00 0.00 177.39 176.29 1jcm s GLN 44 N -1.56 3.99 0.00 3.23 -1.52 0.16 -4.88 119.66 119.09 1jcm s GLN 44 Ca 0.28 0.89 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 1jcm s GLN 44 Cb 0.18 -2.21 0.00 0.00 -0.22 0.00 0.00 33.01 30.76 1jcm s GLN 44 CO 0.27 -0.15 0.00 0.41 -0.25 0.00 0.00 175.29 175.57 1jcm n GLY 45 N -1.24 3.10 0.08 3.09 0.00 -1.26 -4.86 105.19 104.12 1jcm n GLY 45 Ca 0.06 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.28 1jcm n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcm n ALA 46 N -1.43 3.54 -2.61 4.61 0.00 -1.26 -4.87 120.51 118.50 1jcm n ALA 46 Ca 0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 1jcm n ALA 46 Cb 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 1jcm n ALA 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jcm s ARG 47 N -2.85 4.27 -0.12 0.00 0.52 -1.26 -5.01 118.95 114.50 1jcm s ARG 47 Ca 0.15 0.55 -0.37 0.00 -0.52 0.00 0.00 55.73 55.54 1jcm s ARG 47 Cb 0.18 -3.37 -0.14 0.00 0.52 0.00 0.00 34.95 32.14 1jcm s ARG 47 CO 0.66 0.31 1.77 2.41 0.02 0.00 0.00 175.30 180.47 1jcm n THR 48 N 3.07 0.39 -3.47 0.02 -1.04 -1.26 -4.94 114.28 107.05 1jcm n THR 48 Ca -0.08 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.48 1jcm n THR 48 Cb 0.51 -1.53 -0.06 0.00 -1.82 0.00 0.00 70.33 67.43 1jcm n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jcm s ALA 49 N 3.34 3.63 -0.13 2.41 0.00 -0.41 -4.98 121.76 125.63 1jcm s ALA 49 Ca 0.93 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 1jcm s ALA 49 Cb -0.85 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1jcm s ALA 49 CO 0.55 0.31 -0.09 -0.06 0.00 0.00 0.00 175.76 176.47 1jcm s PHE 50 N -0.44 2.90 -0.49 0.00 0.08 -1.26 -1.24 117.98 117.53 1jcm s PHE 50 Ca 0.23 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.81 1jcm s PHE 50 Cb -0.16 -1.87 0.13 0.00 -0.57 0.00 0.00 43.02 40.55 1jcm s PHE 50 CO 0.11 -0.10 0.28 0.42 -0.10 0.00 0.00 175.22 175.83 1jcm s ILE 51 N 0.25 3.28 0.09 0.64 1.01 0.68 -0.34 121.20 126.81 1jcm s ILE 51 Ca -0.06 -2.53 -0.26 0.00 0.00 0.00 0.00 60.65 57.80 1jcm s ILE 51 Cb -0.15 -3.22 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 1jcm s ILE 51 CO 0.04 -0.76 0.82 -0.76 0.00 0.00 0.00 174.94 174.28 1jcm s LEU 52 N 0.55 4.50 -0.06 2.97 1.43 -1.04 -1.94 118.68 125.09 1jcm s LEU 52 Ca 0.12 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 1jcm s LEU 52 Cb -0.22 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1jcm s LEU 52 CO -0.04 0.04 -0.11 -0.70 0.23 0.00 0.00 176.35 175.78 1jcm s GLU 53 N -0.33 2.69 -0.45 1.70 2.12 -0.73 -0.59 118.70 123.11 1jcm s GLU 53 Ca 0.40 -0.63 -0.16 0.00 0.36 0.00 0.00 54.97 54.94 1jcm s GLU 53 Cb -0.22 -2.49 0.05 0.00 0.26 0.00 0.00 34.13 31.73 1jcm s GLU 53 CO 0.26 0.60 0.39 0.00 -0.54 0.00 0.00 175.26 175.96 1jcm s LYS 55 N 1.78 0.39 -0.16 0.00 2.20 -1.26 -3.21 119.74 119.49 1jcm s LYS 55 Ca 0.06 -0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 1jcm s LYS 55 Cb -0.21 -0.31 -0.15 0.00 -1.51 0.00 0.00 37.83 35.65 1jcm s LYS 55 CO 0.09 0.08 -0.05 1.17 -0.36 0.00 0.00 175.35 176.28 1jcm n LYS 56 N 2.54 1.13 -3.77 4.03 4.81 -1.24 -4.58 118.16 121.08 1jcm n LYS 56 Ca -0.16 0.04 -0.09 0.00 -0.87 0.00 0.00 58.31 57.23 1jcm n LYS 56 Cb 0.57 -1.36 -0.04 0.00 0.02 0.00 0.00 35.03 34.23 1jcm n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jcm s ALA 57 N -2.35 -0.91 0.14 3.14 0.00 -0.98 -0.04 121.76 120.76 1jcm s ALA 57 Ca -0.15 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 1jcm s ALA 57 Cb 0.05 0.88 0.04 0.00 0.00 0.00 0.00 23.12 24.09 1jcm s ALA 57 CO 0.50 -0.84 0.47 -1.54 0.00 0.00 0.00 175.76 174.36 1jcm s SER 58 N -2.89 -0.33 0.31 0.00 1.04 0.01 -3.95 113.70 107.89 1jcm s SER 58 Ca 0.11 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.31 1jcm s SER 58 Cb -0.02 0.52 0.58 0.00 0.10 0.00 0.00 66.02 67.21 1jcm s SER 58 CO -0.01 -0.91 1.91 -0.65 0.98 0.00 0.00 173.24 174.56 1jcm h PRO 59 N 2.24 0.93 -0.01 4.02 0.11 -1.88 0.39 132.00 137.81 1jcm h PRO 59 Ca -0.33 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.55 1jcm h PRO 59 Cb 1.27 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1jcm h PRO 59 CO 0.43 0.62 -0.78 0.66 -0.21 0.00 0.00 178.00 178.72 1jcm h SER 60 N 0.96 0.10 0.00 -2.05 4.64 -1.95 -3.38 113.55 111.87 1jcm h SER 60 Ca 0.39 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1jcm h SER 60 Cb 0.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1jcm h SER 60 CO -0.15 0.83 0.00 0.29 -0.87 0.00 0.00 176.83 176.93 1jcm n LYS 61 N -3.67 -0.47 0.00 4.77 5.02 -1.02 -5.12 118.16 117.67 1jcm n LYS 61 Ca -0.02 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 1jcm n LYS 61 Cb 0.74 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 1jcm n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jcm n GLY 62 N -0.03 0.57 3.68 0.72 0.00 0.14 -4.64 105.19 105.63 1jcm n GLY 62 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1jcm n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcm s VAL 63 N 0.00 4.22 -0.22 1.61 1.01 -1.26 -0.81 120.40 124.94 1jcm s VAL 63 Ca 0.00 1.54 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 1jcm s VAL 63 Cb 0.00 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1jcm s VAL 63 CO 0.00 -0.03 -0.29 -0.38 0.00 0.00 0.00 175.10 174.40 1jcm n ILE 64 N 4.77 1.51 -3.37 2.22 5.41 0.95 -4.80 119.36 126.05 1jcm n ILE 64 Ca 0.12 -0.10 -0.46 0.00 1.00 0.00 0.00 62.75 63.31 1jcm n ILE 64 Cb 0.46 -2.12 -0.03 0.00 -0.71 0.00 0.00 39.64 37.23 1jcm n ILE 64 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1jcm s ARG 65 N -2.63 3.43 0.46 0.38 6.06 -0.90 -4.61 118.95 121.13 1jcm s ARG 65 Ca -0.32 -2.39 0.23 0.00 -2.50 0.00 0.00 55.73 50.75 1jcm s ARG 65 Cb 0.09 -4.34 1.23 0.00 0.06 0.00 0.00 34.95 31.99 1jcm s ARG 65 CO 0.45 -1.28 1.85 0.38 -2.50 0.00 0.00 175.30 174.20 1jcm h ASP 66 N 7.81 0.27 -3.52 -2.12 2.03 -1.87 -3.10 116.42 115.93 1jcm h ASP 66 Ca 0.05 0.04 -0.63 0.00 -0.73 0.00 0.00 57.03 55.76 1jcm h ASP 66 Cb 1.04 -0.01 -0.42 0.00 -0.83 0.00 0.00 39.33 39.11 1jcm h ASP 66 CO 0.78 0.09 -0.59 -1.81 -1.03 0.00 0.00 179.24 176.67 1jcm s ASP 67 N -5.54 4.63 0.50 4.15 1.01 -1.26 -5.10 116.67 115.06 1jcm s ASP 67 Ca -0.07 -3.58 -0.18 0.00 0.71 0.00 0.00 52.55 49.44 1jcm s ASP 67 Cb 0.23 -1.63 -0.08 0.00 1.01 0.00 0.00 42.92 42.45 1jcm s ASP 67 CO 0.78 -0.13 0.98 0.12 0.21 0.00 0.00 175.17 177.13 1jcm s PHE 68 N -1.06 3.38 -0.34 4.23 5.36 -1.17 -5.04 117.98 123.34 1jcm s PHE 68 Ca 0.22 1.51 -0.07 0.00 -0.96 0.00 0.00 56.93 57.63 1jcm s PHE 68 Cb -0.12 -2.82 0.20 0.00 -0.34 0.00 0.00 43.02 39.94 1jcm s PHE 68 CO -0.11 -0.36 1.04 0.34 -1.46 0.00 0.00 175.22 174.67 1jcm s ASP 69 N -2.82 -0.40 0.05 6.13 2.15 -1.26 -5.02 116.67 115.50 1jcm s ASP 69 Ca 0.60 -0.29 0.02 0.00 0.43 0.00 0.00 52.55 53.32 1jcm s ASP 69 Cb -0.10 0.51 0.13 0.00 -0.30 0.00 0.00 42.92 43.16 1jcm s ASP 69 CO 0.27 -0.03 0.93 -0.81 -0.17 0.00 0.00 175.17 175.36 1jcm n PRO 70 N 3.38 0.02 -0.01 4.34 -0.04 -1.26 -2.05 135.00 139.38 1jcm n PRO 70 Ca 0.08 0.39 -0.06 0.00 -0.04 0.00 0.00 63.50 63.87 1jcm n PRO 70 Cb 0.63 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 1jcm n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jcm h ALA 71 N 1.39 -0.10 -0.22 0.55 0.00 -1.95 -3.16 119.26 115.77 1jcm h ALA 71 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1jcm h ALA 71 Cb 0.33 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jcm h ALA 71 CO 0.00 -0.11 -0.11 -0.09 0.00 0.00 0.00 179.25 178.94 1jcm h ARG 72 N -1.00 0.35 0.21 0.00 9.65 -1.84 -2.54 114.38 119.22 1jcm h ARG 72 Ca -0.01 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1jcm h ARG 72 Cb 0.35 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1jcm h ARG 72 CO 0.02 0.47 -0.10 0.82 2.80 0.00 0.00 179.97 183.97 1jcm h ILE 73 N 0.33 0.85 0.00 1.20 2.04 -1.63 -2.48 117.51 117.82 1jcm h ILE 73 Ca 0.07 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1jcm h ILE 73 Cb 0.40 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1jcm h ILE 73 CO 0.02 0.09 -0.16 0.00 0.00 0.00 0.00 178.15 178.10 1jcm h ALA 74 N 0.26 1.54 0.00 1.87 0.00 -1.53 0.20 119.26 121.60 1jcm h ALA 74 Ca -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jcm h ALA 74 Cb 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jcm h ALA 74 CO 0.05 0.19 -0.02 0.00 0.00 0.00 0.00 179.25 179.47 1jcm h ALA 75 N 1.84 1.16 0.00 0.00 0.00 -1.00 -2.22 119.26 119.05 1jcm h ALA 75 Ca -0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1jcm h ALA 75 Cb 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1jcm h ALA 75 CO 0.02 0.03 -1.78 -0.89 0.00 0.00 0.00 179.25 176.63 1jcm n ILE 76 N -3.35 1.30 0.32 0.00 5.41 -0.20 -4.53 119.36 118.32 1jcm n ILE 76 Ca -0.02 -0.15 0.10 0.00 1.00 0.00 0.00 62.75 63.68 1jcm n ILE 76 Cb 0.14 -1.94 0.55 0.00 -0.71 0.00 0.00 39.64 37.68 1jcm n ILE 76 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1jcm h TYR 77 N -0.80 0.00 0.00 1.39 -1.99 -0.68 -1.74 116.97 113.15 1jcm h TYR 77 Ca -0.38 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.30 1jcm h TYR 77 Cb 1.27 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.99 1jcm h TYR 77 CO -0.16 0.00 -0.21 1.57 -0.00 0.00 0.00 178.16 179.35 1jcm h LYS 78 N 0.00 0.00 -0.00 4.88 2.10 -1.63 -1.29 116.57 120.63 1jcm h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jcm h LYS 78 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1jcm h LYS 78 CO 0.00 0.21 -0.05 0.72 -2.00 0.00 0.00 179.45 178.34 1jcm n HIS 79 N -3.32 0.00 0.00 0.07 8.25 -0.65 -4.50 115.22 115.06 1jcm n HIS 79 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1jcm n HIS 79 Cb 0.46 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1jcm n HIS 79 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1jcm n TYR 80 N -1.45 0.00 -1.62 4.41 4.01 -1.19 -5.12 117.16 116.20 1jcm n TYR 80 Ca 0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.43 1jcm n TYR 80 Cb 0.32 0.03 0.04 0.00 -0.31 0.00 0.00 39.34 39.42 1jcm n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jcm n ALA 81 N -1.94 0.29 -0.05 -0.72 0.00 -0.49 -4.82 120.51 112.78 1jcm n ALA 81 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 1jcm n ALA 81 Cb 0.18 -2.12 -0.14 0.00 0.00 0.00 0.00 19.45 17.37 1jcm n ALA 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jcm n SER 82 N -0.32 0.98 -3.74 0.00 7.64 0.54 -4.92 113.62 113.80 1jcm n SER 82 Ca 0.12 0.19 -0.10 0.00 1.01 0.00 0.00 58.87 60.09 1jcm n SER 82 Cb 0.44 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1jcm n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jcm s ALA 83 N -2.55 -0.62 -0.10 -0.43 0.00 -1.08 -4.25 121.76 112.73 1jcm s ALA 83 Ca -0.13 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1jcm s ALA 83 Cb 0.07 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1jcm s ALA 83 CO 0.79 -0.61 -0.11 0.42 0.00 0.00 0.00 175.76 176.25 1jcm s ILE 84 N -3.84 1.19 0.05 0.00 1.01 -1.04 -2.50 121.20 116.08 1jcm s ILE 84 Ca 0.05 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 1jcm s ILE 84 Cb 0.03 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 1jcm s ILE 84 CO -0.10 0.38 0.37 -0.55 0.00 0.00 0.00 174.94 175.04 1jcm s SER 85 N 1.23 6.62 -0.10 3.58 0.15 0.24 -0.31 113.70 125.11 1jcm s SER 85 Ca -0.03 0.75 -0.03 0.00 0.70 0.00 0.00 55.95 57.34 1jcm s SER 85 Cb -0.14 -2.16 0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1jcm s SER 85 CO -0.04 0.21 0.04 -0.69 1.20 0.00 0.00 173.24 173.97 1jcm s VAL 86 N -1.34 0.14 -0.02 4.45 1.01 -0.16 -0.87 120.40 123.62 1jcm s VAL 86 Ca 0.31 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 1jcm s VAL 86 Cb -0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 1jcm s VAL 86 CO 0.17 0.06 1.49 -0.76 0.00 0.00 0.00 175.10 176.06 1jcm s LEU 87 N 2.05 4.31 -0.22 3.92 2.01 -1.20 -0.84 118.68 128.72 1jcm s LEU 87 Ca 0.04 2.17 0.14 0.00 0.01 0.00 0.00 54.13 56.48 1jcm s LEU 87 Cb -0.14 -3.55 0.57 0.00 0.01 0.00 0.00 46.19 43.08 1jcm s LEU 87 CO -0.06 -0.80 1.50 0.35 1.01 0.00 0.00 176.35 178.35 1jcm n THR 88 N 4.93 2.45 -3.75 5.49 -2.24 -1.00 -2.93 114.28 117.24 1jcm n THR 88 Ca 0.15 -1.99 -0.37 0.00 -2.27 0.00 0.00 64.05 59.57 1jcm n THR 88 Cb 0.43 -0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.26 1jcm n THR 88 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jcm s ASP 89 N -1.89 5.34 -0.14 3.42 2.15 -1.26 -4.24 116.67 120.05 1jcm s ASP 89 Ca 0.45 -0.15 -0.20 0.00 0.43 0.00 0.00 52.55 53.08 1jcm s ASP 89 Cb 0.37 -1.96 -0.18 0.00 -0.30 0.00 0.00 42.92 40.85 1jcm s ASP 89 CO 0.08 -0.02 0.45 -0.33 -0.17 0.00 0.00 175.17 175.18 1jcm h GLU 90 N 8.14 0.00 -0.64 4.34 3.07 -1.84 1.87 114.58 129.52 1jcm h GLU 90 Ca -0.37 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.61 1jcm h GLU 90 Cb 1.18 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 1jcm h GLU 90 CO 0.58 0.73 0.43 -0.22 -1.40 0.00 0.00 179.01 179.13 1jcm h LYS 91 N -1.00 0.33 0.00 2.33 3.64 -1.95 0.19 116.57 120.12 1jcm h LYS 91 Ca -0.06 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.08 1jcm h LYS 91 Cb 0.81 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1jcm h LYS 91 CO -0.04 0.22 -1.85 0.66 -2.27 0.00 0.00 179.45 176.18 1jcm n TYR 92 N -4.46 0.00 -0.29 1.91 4.01 -1.26 -4.70 117.16 112.36 1jcm n TYR 92 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1jcm n TYR 92 Cb 0.46 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 1jcm n TYR 92 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1jcm n PHE 93 N -2.45 0.00 -3.45 -0.72 3.01 -1.20 -3.68 117.46 108.98 1jcm n PHE 93 Ca -0.20 -0.17 -0.24 0.00 1.01 0.00 0.00 57.45 57.85 1jcm n PHE 93 Cb 0.89 -0.02 0.06 0.00 -0.01 0.00 0.00 39.48 40.40 1jcm n PHE 93 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1jcm n GLN 94 N -0.17 -6.62 -2.41 -1.08 6.02 0.68 -2.33 117.38 111.47 1jcm n GLN 94 Ca 0.00 0.82 -0.25 0.00 -0.01 0.00 0.00 57.00 57.56 1jcm n GLN 94 Cb 0.19 -5.79 0.11 0.00 1.02 0.00 0.00 30.24 25.77 1jcm n GLN 94 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1jcm s GLY 95 N -3.11 1.76 -0.28 1.08 0.00 0.63 -4.80 107.32 102.61 1jcm s GLY 95 Ca 0.50 -1.49 -0.17 0.00 0.00 0.00 0.00 44.72 43.57 1jcm s GLY 95 CO 0.62 -0.92 0.81 -0.45 0.00 0.00 0.00 173.10 173.16 1jcm s SER 96 N -4.71 -0.76 0.66 1.64 0.15 -1.15 -2.86 113.70 106.67 1jcm s SER 96 Ca 0.66 1.24 0.27 0.00 0.70 0.00 0.00 55.95 58.82 1jcm s SER 96 Cb -0.06 1.31 1.45 0.00 -1.71 0.00 0.00 66.02 67.01 1jcm s SER 96 CO 0.46 -0.20 1.82 -0.26 1.20 0.00 0.00 173.24 176.26 1jcm h PHE 97 N 6.40 0.00 0.00 3.44 0.04 -1.88 1.00 116.94 125.94 1jcm h PHE 97 Ca -0.29 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.43 1jcm h PHE 97 Cb 1.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 1jcm h PHE 97 CO 0.11 0.00 -0.20 -0.91 -0.60 0.00 0.00 178.31 176.70 1jcm h ASN 98 N 0.00 0.00 -0.47 2.17 2.35 -1.95 -3.10 115.58 114.57 1jcm h ASN 98 Ca 0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1jcm h ASN 98 Cb 0.85 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 1jcm h ASN 98 CO -0.00 0.20 0.11 -0.26 -1.65 0.00 0.00 177.43 175.83 1jcm h PHE 99 N 0.00 0.86 -0.29 1.19 0.04 -1.19 -2.90 116.94 114.65 1jcm h PHE 99 Ca -0.00 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.72 1jcm h PHE 99 Cb 1.12 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.95 1jcm h PHE 99 CO 0.00 0.73 -0.54 -0.07 -0.60 0.00 0.00 178.31 177.83 1jcm h LEU 100 N 0.79 -1.77 -1.00 1.54 3.38 -1.65 -1.10 115.31 115.51 1jcm h LEU 100 Ca 0.17 0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.37 1jcm h LEU 100 Cb 0.32 0.71 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1jcm h LEU 100 CO 0.00 -0.44 0.65 -0.65 0.09 0.00 0.00 178.44 178.10 1jcm h PRO 101 N -0.48 1.32 -0.88 1.13 0.11 -1.40 0.46 132.00 132.27 1jcm h PRO 101 Ca 0.06 -0.09 0.20 0.00 0.11 0.00 0.00 66.00 66.28 1jcm h PRO 101 Cb 0.63 -0.29 -0.06 0.00 0.11 0.00 0.00 31.00 31.39 1jcm h PRO 101 CO -0.52 0.88 0.59 0.82 -0.21 0.00 0.00 178.00 179.55 1jcm h ILE 102 N 1.36 0.69 0.02 4.15 2.04 -1.06 -2.61 117.51 122.10 1jcm h ILE 102 Ca 0.36 -0.13 -0.25 0.00 1.00 0.00 0.00 64.86 65.84 1jcm h ILE 102 Cb -0.14 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 1jcm h ILE 102 CO -0.08 0.07 -1.36 0.58 0.00 0.00 0.00 178.15 177.36 1jcm h VAL 103 N 0.38 0.88 0.00 1.67 2.07 -0.43 -3.29 116.25 117.53 1jcm h VAL 103 Ca 0.45 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1jcm h VAL 103 Cb 1.15 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1jcm h VAL 103 CO -0.16 0.39 0.55 -1.28 0.02 0.00 0.00 177.57 177.09 1jcm h SER 104 N -0.85 0.00 0.09 0.57 0.87 -0.61 0.57 113.55 114.19 1jcm h SER 104 Ca -0.36 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 59.83 1jcm h SER 104 Cb 1.41 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.31 1jcm h SER 104 CO -0.17 0.00 -2.27 0.00 -0.53 0.00 0.00 176.83 173.86 1jcm n GLN 105 N -2.58 0.68 0.15 2.24 10.64 -1.01 -4.34 117.38 123.16 1jcm n GLN 105 Ca -0.01 0.14 0.12 0.00 -1.83 0.00 0.00 57.00 55.41 1jcm n GLN 105 Cb 0.57 -1.59 0.09 0.00 -0.86 0.00 0.00 30.24 28.45 1jcm n GLN 105 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 1jcm h ILE 106 N 0.01 0.00 -3.32 -0.39 6.09 -0.70 -3.45 117.51 115.76 1jcm h ILE 106 Ca -0.50 -0.96 -0.54 0.00 -1.37 0.00 0.00 64.86 61.48 1jcm h ILE 106 Cb 2.05 1.69 -0.34 0.00 0.47 0.00 0.00 36.82 40.69 1jcm h ILE 106 CO 0.00 0.00 -0.82 0.00 -3.07 0.00 0.00 178.15 174.26 1jcm s ALA 107 N -3.28 1.44 -0.32 0.18 0.00 0.17 -4.75 121.76 115.19 1jcm s ALA 107 Ca 0.03 -0.56 0.27 0.00 0.00 0.00 0.00 51.96 51.71 1jcm s ALA 107 Cb 0.08 -0.72 1.00 0.00 0.00 0.00 0.00 23.12 23.47 1jcm s ALA 107 CO 0.73 -0.04 1.80 -1.00 0.00 0.00 0.00 175.76 177.25 1jcm h PRO 108 N 7.33 0.00 -7.18 0.00 0.13 -1.85 -3.40 132.00 127.03 1jcm h PRO 108 Ca -0.30 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.33 1jcm h PRO 108 Cb 1.17 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.38 1jcm h PRO 108 CO 0.47 0.00 0.38 -0.65 -0.23 0.00 0.00 178.00 177.97 1jcm s GLN 109 N -3.39 3.11 0.21 0.86 1.11 -1.26 -4.95 119.66 115.36 1jcm s GLN 109 Ca 0.05 1.35 -0.32 0.00 0.01 0.00 0.00 55.36 56.45 1jcm s GLN 109 Cb 0.09 -1.99 -0.12 0.00 -1.01 0.00 0.00 33.01 29.97 1jcm s GLN 109 CO 0.51 -0.99 1.72 -2.30 0.01 0.00 0.00 175.29 174.24 1jcm n PRO 110 N -2.05 2.76 -3.17 2.91 -0.02 -1.26 -4.73 135.00 129.44 1jcm n PRO 110 Ca 0.10 0.99 -0.39 0.00 -2.02 0.00 0.00 63.50 62.18 1jcm n PRO 110 Cb 0.52 -2.84 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 1jcm n PRO 110 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jcm s ILE 111 N 1.17 4.96 -0.18 4.25 -1.09 -1.26 -2.49 121.20 126.55 1jcm s ILE 111 Ca 0.75 1.28 -0.05 0.00 -2.23 0.00 0.00 60.65 60.41 1jcm s ILE 111 Cb -0.51 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.39 1jcm s ILE 111 CO 0.32 0.37 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.17 1jcm s LEU 112 N 0.11 3.31 -0.40 2.97 2.96 0.58 -0.65 118.68 127.57 1jcm s LEU 112 Ca 0.32 -0.14 -0.24 0.00 -0.22 0.00 0.00 54.13 53.86 1jcm s LEU 112 Cb -0.18 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.71 1jcm s LEU 112 CO 0.17 0.13 0.81 0.00 -1.32 0.00 0.00 176.35 176.13 1jcm s LYS 114 N 3.24 3.19 0.27 0.00 2.47 -0.02 -3.03 119.74 125.85 1jcm s LYS 114 Ca 0.32 -1.68 -0.12 0.00 -1.56 0.00 0.00 55.97 52.93 1jcm s LYS 114 Cb -0.12 -4.37 0.00 0.00 -1.46 0.00 0.00 37.83 31.88 1jcm s LYS 114 CO 0.19 -1.46 0.51 0.34 0.16 0.00 0.00 175.35 175.08 1jcm s ASP 115 N 3.34 0.02 -1.04 1.43 -1.08 -1.26 -2.38 116.67 115.70 1jcm s ASP 115 Ca 0.13 -0.99 -0.15 0.00 -0.52 0.00 0.00 52.55 51.02 1jcm s ASP 115 Cb -0.21 0.62 0.18 0.00 -1.46 0.00 0.00 42.92 42.05 1jcm s ASP 115 CO 0.01 -1.20 1.19 -0.36 0.52 0.00 0.00 175.17 175.33 1jcm s PHE 116 N -3.81 3.52 -0.33 -5.34 0.40 -1.26 -4.68 117.98 106.48 1jcm s PHE 116 Ca 0.23 -1.94 -0.29 0.00 -0.60 0.00 0.00 56.93 54.32 1jcm s PHE 116 Cb -0.01 -4.16 0.01 0.00 0.51 0.00 0.00 43.02 39.37 1jcm s PHE 116 CO 0.10 -1.30 1.19 0.42 0.70 0.00 0.00 175.22 176.33 1jcm s ILE 117 N 1.34 4.30 0.00 0.64 1.01 -1.26 -4.81 121.20 122.42 1jcm s ILE 117 Ca 0.34 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.45 1jcm s ILE 117 Cb -0.06 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1jcm s ILE 117 CO -0.06 -0.54 0.26 2.30 0.00 0.00 0.00 174.94 176.91 1jcm n ILE 118 N 6.14 0.02 -3.78 2.92 -5.35 -1.26 -4.74 119.36 113.31 1jcm n ILE 118 Ca 0.13 -0.25 -0.19 0.00 -0.27 0.00 0.00 62.75 62.18 1jcm n ILE 118 Cb 0.47 1.48 -0.17 0.00 -1.74 0.00 0.00 39.64 39.68 1jcm n ILE 118 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1jcm s ASP 119 N -0.02 0.79 0.58 7.28 -1.08 -1.26 -5.01 116.67 117.95 1jcm s ASP 119 Ca 0.00 0.02 0.30 0.00 -0.52 0.00 0.00 52.55 52.34 1jcm s ASP 119 Cb 0.00 -0.19 1.40 0.00 -1.46 0.00 0.00 42.92 42.67 1jcm s ASP 119 CO 0.00 -0.18 1.79 1.55 0.52 0.00 0.00 175.17 178.85 1jcm h PRO 120 N 7.86 0.00 -0.04 4.34 0.13 -1.97 0.26 132.00 142.58 1jcm h PRO 120 Ca -0.28 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1jcm h PRO 120 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1jcm h PRO 120 CO 0.32 0.00 -0.04 -0.92 -0.23 0.00 0.00 178.00 177.13 1jcm h TYR 121 N 0.00 -0.11 -0.66 1.56 3.20 -1.99 -1.80 116.97 117.18 1jcm h TYR 121 Ca 0.32 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.33 1jcm h TYR 121 Cb 1.64 0.05 -0.10 0.00 1.54 0.00 0.00 36.73 39.86 1jcm h TYR 121 CO 0.00 -0.07 0.14 1.96 -1.64 0.00 0.00 178.16 178.54 1jcm h GLN 122 N -0.06 0.24 -0.18 1.82 4.20 -0.89 0.82 115.11 121.06 1jcm h GLN 122 Ca 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1jcm h GLN 122 Cb 0.11 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1jcm h GLN 122 CO -0.08 0.16 0.11 0.82 -0.67 0.00 0.00 178.83 179.17 1jcm h ILE 123 N 0.25 1.06 -0.96 2.54 2.04 -1.49 0.11 117.51 121.07 1jcm h ILE 123 Ca 0.36 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 1jcm h ILE 123 Cb 0.57 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1jcm h ILE 123 CO -0.46 0.06 0.60 1.88 0.00 0.00 0.00 178.15 180.23 1jcm h TYR 124 N 0.22 1.24 -0.61 1.37 0.05 -0.33 -1.24 116.97 117.67 1jcm h TYR 124 Ca 0.06 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1jcm h TYR 124 Cb 0.00 -0.41 -0.03 0.00 1.01 0.00 0.00 36.73 37.30 1jcm h TYR 124 CO -0.06 0.81 0.30 1.25 -1.05 0.00 0.00 178.16 179.41 1jcm h LEU 125 N 1.31 0.79 -0.13 3.88 5.85 0.14 -2.51 115.31 124.65 1jcm h LEU 125 Ca 0.35 -0.13 -0.23 0.00 0.84 0.00 0.00 57.88 58.70 1jcm h LEU 125 Cb -0.09 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.75 1jcm h LEU 125 CO -0.07 0.70 -0.84 0.00 -0.34 0.00 0.00 178.44 177.89 1jcm h ALA 126 N 1.13 0.27 -0.77 1.25 0.00 -0.55 -3.03 119.26 117.55 1jcm h ALA 126 Ca 0.21 -0.62 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1jcm h ALA 126 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1jcm h ALA 126 CO -0.03 0.69 0.51 -0.09 0.00 0.00 0.00 179.25 180.33 1jcm h ARG 127 N 0.51 0.71 -0.58 0.00 1.12 -1.17 0.18 114.38 115.15 1jcm h ARG 127 Ca -0.07 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 1jcm h ARG 127 Cb 1.47 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 31.25 1jcm h ARG 127 CO 0.17 0.47 0.33 -0.92 -3.11 0.00 0.00 179.97 176.91 1jcm h TYR 128 N 0.73 0.76 -0.40 2.20 3.20 -1.33 -1.88 116.97 120.24 1jcm h TYR 128 Ca 0.35 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1jcm h TYR 128 Cb 0.40 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1jcm h TYR 128 CO -0.00 0.52 0.00 0.66 -1.64 0.00 0.00 178.16 177.70 1jcm n TYR 129 N -4.41 1.09 -0.82 -3.82 4.01 0.41 -4.89 117.16 108.74 1jcm n TYR 129 Ca 0.05 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1jcm n TYR 129 Cb 0.08 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 1jcm n TYR 129 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1jcm n GLN 130 N 0.57 0.00 -1.94 -0.72 1.13 -0.71 -2.43 117.38 113.28 1jcm n GLN 130 Ca 0.17 0.22 -0.42 0.00 -1.94 0.00 0.00 57.00 55.03 1jcm n GLN 130 Cb 0.70 -2.90 -0.03 0.00 0.11 0.00 0.00 30.24 28.12 1jcm n GLN 130 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jcm s ALA 131 N -2.00 2.69 -0.68 -1.58 0.00 0.04 -4.70 121.76 115.53 1jcm s ALA 131 Ca 0.00 0.18 0.22 0.00 0.00 0.00 0.00 51.96 52.36 1jcm s ALA 131 Cb 0.00 -4.08 0.88 0.00 0.00 0.00 0.00 23.12 19.92 1jcm s ALA 131 CO 0.00 -2.92 1.67 -0.25 0.00 0.00 0.00 175.76 174.26 1jcm n ASP 132 N 11.09 0.47 -3.73 0.00 8.00 0.18 -4.36 116.55 128.21 1jcm n ASP 132 Ca 0.24 0.60 -0.06 0.00 0.71 0.00 0.00 54.79 56.28 1jcm n ASP 132 Cb 0.48 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 1jcm n ASP 132 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jcm s ALA 133 N -3.19 -1.53 0.20 2.24 0.00 -0.57 -2.34 121.76 116.58 1jcm s ALA 133 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1jcm s ALA 133 Cb 0.10 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1jcm s ALA 133 CO 0.40 -0.98 0.08 0.00 0.00 0.00 0.00 175.76 175.26 1jcm s LEU 135 N -3.19 3.06 -0.17 0.00 2.96 -1.17 -1.53 118.68 118.64 1jcm s LEU 135 Ca 0.33 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1jcm s LEU 135 Cb 0.07 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1jcm s LEU 135 CO 0.09 -0.03 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.27 1jcm s LEU 136 N 1.50 3.06 -0.27 -0.68 1.43 -0.89 -4.14 118.68 118.68 1jcm s LEU 136 Ca 0.06 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1jcm s LEU 136 Cb -0.15 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1jcm s LEU 136 CO -0.02 0.12 0.10 -0.04 0.23 0.00 0.00 176.35 176.74 1jcm s MET 137 N 0.65 3.48 0.00 1.70 -1.94 -1.26 -1.64 119.30 120.30 1jcm s MET 137 Ca -0.03 -0.60 0.13 0.00 -1.71 0.00 0.00 55.69 53.47 1jcm s MET 137 Cb -0.15 -3.40 0.58 0.00 2.01 0.00 0.00 34.83 33.88 1jcm s MET 137 CO 0.02 -0.29 1.36 1.28 -0.01 0.00 0.00 175.02 177.39 1jcm n LEU 138 N 4.93 0.00 -0.11 -0.03 4.77 -1.01 -1.41 117.00 124.14 1jcm n LEU 138 Ca -0.15 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1jcm n LEU 138 Cb 0.50 -0.40 0.16 0.00 -2.33 0.00 0.00 43.42 41.36 1jcm n LEU 138 CO 0.32 -0.23 0.36 -1.54 -1.33 0.00 0.00 177.39 174.97 1jcm n SER 139 N -1.40 0.90 -0.00 -1.43 3.41 -1.26 -3.96 113.62 109.88 1jcm n SER 139 Ca 0.04 -0.71 0.02 0.00 -0.26 0.00 0.00 58.87 57.97 1jcm n SER 139 Cb 0.12 0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 1jcm n SER 139 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1jcm n VAL 140 N -1.15 0.00 -4.39 -3.33 0.31 -0.50 -5.06 118.33 104.21 1jcm n VAL 140 Ca 0.07 -0.40 -0.20 0.00 -0.01 0.00 0.00 64.34 63.80 1jcm n VAL 140 Cb 0.35 0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 34.19 1jcm n VAL 140 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1jcm n LEU 141 N -1.11 0.00 -4.22 7.52 4.77 -0.71 -5.05 117.00 118.20 1jcm n LEU 141 Ca 0.01 -2.60 -0.13 0.00 -0.03 0.00 0.00 56.01 53.26 1jcm n LEU 141 Cb 0.06 0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 41.97 1jcm n LEU 141 CO 0.07 -0.41 -0.36 1.51 -1.33 0.00 0.00 177.39 176.87 1jcm s ASP 142 N -3.07 1.31 0.15 -1.43 1.47 -1.26 -4.77 116.67 109.07 1jcm s ASP 142 Ca 0.19 -1.09 -0.22 0.00 1.18 0.00 0.00 52.55 52.60 1jcm s ASP 142 Cb 0.01 0.09 0.02 0.00 -0.34 0.00 0.00 42.92 42.70 1jcm s ASP 142 CO 0.13 -0.49 1.29 0.47 0.68 0.00 0.00 175.17 177.26 1jcm n ASP 143 N -0.17 -0.78 -0.02 2.11 8.00 -1.26 -0.55 116.55 123.88 1jcm n ASP 143 Ca -0.09 1.48 -0.09 0.00 0.71 0.00 0.00 54.79 56.81 1jcm n ASP 143 Cb 0.62 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 1jcm n ASP 143 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1jcm h ASP 144 N 0.00 -0.43 -0.32 -2.24 3.32 -1.99 0.39 116.42 115.15 1jcm h ASP 144 Ca 0.18 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.37 1jcm h ASP 144 Cb 0.39 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 1jcm h ASP 144 CO -0.80 -0.17 0.04 1.56 -1.72 0.00 0.00 179.24 178.15 1jcm h GLN 145 N -0.14 0.15 -0.20 3.56 4.20 -1.44 -0.37 115.11 120.87 1jcm h GLN 145 Ca 0.11 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1jcm h GLN 145 Cb 0.30 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1jcm h GLN 145 CO -0.26 0.10 0.11 -0.92 -0.67 0.00 0.00 178.83 177.19 1jcm h TYR 146 N 0.15 0.21 -0.19 2.96 5.03 -0.07 -0.19 116.97 124.87 1jcm h TYR 146 Ca 0.15 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.50 1jcm h TYR 146 Cb 0.18 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 1jcm h TYR 146 CO -0.19 0.12 0.01 0.00 -1.32 0.00 0.00 178.16 176.78 1jcm h ARG 147 N 0.23 0.08 0.03 1.82 3.08 0.06 1.33 114.38 121.01 1jcm h ARG 147 Ca 0.08 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1jcm h ARG 147 Cb -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1jcm h ARG 147 CO -0.04 0.05 -0.25 0.37 -1.07 0.00 0.00 179.97 179.04 1jcm h GLN 148 N 0.08 -0.32 -0.77 0.04 4.15 -0.70 0.51 115.11 118.10 1jcm h GLN 148 Ca 0.09 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.58 1jcm h GLN 148 Cb 0.10 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.82 1jcm h GLN 148 CO -0.14 -0.21 0.51 -0.07 -1.93 0.00 0.00 178.83 176.99 1jcm h LEU 149 N -0.33 0.77 -0.10 -2.39 3.38 -0.84 -1.56 115.31 114.23 1jcm h LEU 149 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jcm h LEU 149 Cb 0.34 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jcm h LEU 149 CO -0.15 0.51 0.06 0.00 0.09 0.00 0.00 178.44 178.95 1jcm h ALA 150 N 1.57 0.13 -0.30 1.53 0.00 0.24 -2.28 119.26 120.15 1jcm h ALA 150 Ca 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1jcm h ALA 150 Cb 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1jcm h ALA 150 CO -0.10 -0.35 0.14 0.00 0.00 0.00 0.00 179.25 178.94 1jcm h ALA 151 N 0.98 0.35 -0.52 0.00 0.00 0.61 -2.28 119.26 118.41 1jcm h ALA 151 Ca 0.04 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1jcm h ALA 151 Cb 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1jcm h ALA 151 CO -0.01 -0.25 0.09 0.28 0.00 0.00 0.00 179.25 179.36 1jcm h VAL 152 N 0.29 0.69 -0.22 0.00 2.07 -1.05 -1.87 116.25 116.16 1jcm h VAL 152 Ca 0.12 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1jcm h VAL 152 Cb 0.06 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1jcm h VAL 152 CO -0.10 0.04 -0.30 0.00 0.02 0.00 0.00 177.57 177.24 1jcm h ALA 153 N 1.41 1.08 0.00 1.67 0.00 -1.28 -2.11 119.26 120.04 1jcm h ALA 153 Ca 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jcm h ALA 153 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jcm h ALA 153 CO -0.35 0.57 0.00 0.72 0.00 0.00 0.00 179.25 180.19 1jcm n HIS 154 N -4.10 0.00 -0.10 0.00 8.25 -0.75 -0.77 115.22 117.75 1jcm n HIS 154 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1jcm n HIS 154 Cb 0.43 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.40 1jcm n HIS 154 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1jcm n SER 155 N -0.79 0.99 -1.46 0.41 7.64 -0.80 -4.28 113.62 115.33 1jcm n SER 155 Ca 0.12 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.07 1jcm n SER 155 Cb 0.06 0.23 0.30 0.00 -1.01 0.00 0.00 64.21 63.78 1jcm n SER 155 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jcm n LEU 156 N -3.03 4.32 -3.55 -3.43 4.32 -1.02 -4.90 117.00 109.71 1jcm n LEU 156 Ca -0.36 -2.18 -0.21 0.00 -0.02 0.00 0.00 56.01 53.23 1jcm n LEU 156 Cb 1.08 -0.58 0.08 0.00 -1.62 0.00 0.00 43.42 42.37 1jcm n LEU 156 CO 0.37 0.60 0.17 -0.62 -1.22 0.00 0.00 177.39 176.69 1jcm n GLU 157 N 0.66 -7.19 -4.95 3.23 -0.58 -1.18 0.14 120.64 110.77 1jcm n GLU 157 Ca 0.21 0.82 -0.32 0.00 -0.42 0.00 0.00 57.16 57.44 1jcm n GLU 157 Cb 0.87 -5.83 -0.14 0.00 -0.57 0.00 0.00 31.44 25.77 1jcm n GLU 157 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1jcm s MET 158 N -5.94 2.83 0.72 3.49 -1.94 0.05 -3.57 119.30 114.93 1jcm s MET 158 Ca 0.33 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.46 1jcm s MET 158 Cb -0.15 -2.41 0.02 0.00 2.01 0.00 0.00 34.83 34.30 1jcm s MET 158 CO 0.74 0.42 1.07 0.20 -0.01 0.00 0.00 175.02 177.43 1jcm s GLY 159 N -0.20 1.67 -0.22 -0.03 0.00 -0.99 -4.09 107.32 103.46 1jcm s GLY 159 Ca -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1jcm s GLY 159 CO 0.03 0.43 0.01 0.14 0.00 0.00 0.00 173.10 173.71 1jcm s VAL 160 N -3.02 0.89 -0.42 1.40 1.01 -1.26 -1.04 120.40 117.95 1jcm s VAL 160 Ca 0.59 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1jcm s VAL 160 Cb -0.15 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1jcm s VAL 160 CO 0.55 -0.21 0.91 -0.22 0.00 0.00 0.00 175.10 176.13 1jcm s LEU 161 N 1.68 4.02 -0.27 3.92 2.96 -0.58 -4.22 118.68 126.19 1jcm s LEU 161 Ca -0.02 0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.96 1jcm s LEU 161 Cb -0.18 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 1jcm s LEU 161 CO -0.09 -0.96 0.63 -0.89 -1.32 0.00 0.00 176.35 173.73 1jcm s THR 162 N 3.60 4.97 -0.23 3.68 2.01 0.94 -2.10 115.64 128.51 1jcm s THR 162 Ca 0.37 1.05 -0.14 0.00 0.31 0.00 0.00 61.69 63.27 1jcm s THR 162 Cb -0.11 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1jcm s THR 162 CO 0.23 -0.03 0.31 -0.70 -0.69 0.00 0.00 174.62 173.74 1jcm s GLU 163 N 2.55 4.10 -0.01 4.92 2.12 -0.65 0.12 118.70 131.85 1jcm s GLU 163 Ca 0.26 0.00 0.06 0.00 0.36 0.00 0.00 54.97 55.65 1jcm s GLU 163 Cb -0.15 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1jcm s GLU 163 CO 0.10 -0.07 -0.18 0.14 -0.54 0.00 0.00 175.26 174.70 1jcm s VAL 164 N 1.42 2.73 0.00 3.70 -7.23 -0.25 -2.41 120.40 118.36 1jcm s VAL 164 Ca 0.14 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1jcm s VAL 164 Cb -0.15 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1jcm s VAL 164 CO 0.07 0.50 0.00 -1.54 -0.31 0.00 0.00 175.10 173.82 1jcm n SER 165 N 2.07 0.57 -2.72 4.85 3.41 -1.26 -2.11 113.62 118.43 1jcm n SER 165 Ca -0.17 -0.41 -0.12 0.00 -0.26 0.00 0.00 58.87 57.91 1jcm n SER 165 Cb 0.52 0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 65.37 1jcm n SER 165 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1jcm n ASN 166 N -0.99 -1.23 -0.08 4.04 0.23 -1.26 -4.95 115.26 111.02 1jcm n ASN 166 Ca 0.00 -2.63 -0.05 0.00 -0.53 0.00 0.00 54.58 51.36 1jcm n ASN 166 Cb 0.00 2.28 0.14 0.00 -2.08 0.00 0.00 39.78 40.12 1jcm n ASN 166 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1jcm h GLU 167 N 0.00 0.74 -0.50 -3.83 4.81 -1.98 -0.55 114.58 113.26 1jcm h GLU 167 Ca -0.24 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1jcm h GLU 167 Cb 1.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1jcm h GLU 167 CO 0.32 0.83 0.13 1.49 -0.73 0.00 0.00 179.01 181.06 1jcm h GLU 168 N 0.67 0.79 -0.54 1.92 4.81 -1.99 -0.03 114.58 120.22 1jcm h GLU 168 Ca 0.11 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1jcm h GLU 168 Cb 0.59 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1jcm h GLU 168 CO 0.04 0.76 -0.02 0.93 -0.73 0.00 0.00 179.01 179.99 1jcm h GLU 169 N 0.69 0.97 -0.06 1.92 5.08 -1.91 -1.97 114.58 119.29 1jcm h GLU 169 Ca 0.16 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1jcm h GLU 169 Cb 0.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1jcm h GLU 169 CO -0.00 0.98 -0.11 0.37 -1.00 0.00 0.00 179.01 179.26 1jcm h GLN 170 N 0.84 -0.15 -0.64 2.33 4.15 -0.75 0.61 115.11 121.52 1jcm h GLN 170 Ca 0.15 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.65 1jcm h GLN 170 Cb 0.56 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1jcm h GLN 170 CO 0.03 -0.10 0.42 0.93 -1.93 0.00 0.00 178.83 178.18 1jcm h GLU 171 N -0.15 0.61 0.04 1.69 5.08 -0.89 -1.85 114.58 119.11 1jcm h GLU 171 Ca 0.06 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jcm h GLU 171 Cb 0.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1jcm h GLU 171 CO -0.16 0.40 -0.02 0.00 -1.00 0.00 0.00 179.01 178.24 1jcm h ARG 172 N 0.62 -0.05 -0.11 2.33 3.08 -0.52 -0.75 114.38 118.98 1jcm h ARG 172 Ca 0.28 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.36 1jcm h ARG 172 Cb 0.28 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1jcm h ARG 172 CO -0.08 0.33 0.11 0.00 -1.07 0.00 0.00 179.97 179.26 1jcm h ALA 173 N 0.48 1.75 0.02 0.04 0.00 -0.51 0.23 119.26 121.27 1jcm h ALA 173 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jcm h ALA 173 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jcm h ALA 173 CO 0.01 -0.17 -0.01 0.82 0.00 0.00 0.00 179.25 179.90 1jcm h ILE 174 N 0.00 1.46 -0.78 0.00 2.04 -1.11 -0.82 117.51 118.30 1jcm h ILE 174 Ca 0.05 -1.86 0.09 0.00 1.00 0.00 0.00 64.86 64.15 1jcm h ILE 174 Cb 0.28 2.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.96 1jcm h ILE 174 CO -0.00 0.45 0.51 0.00 0.00 0.00 0.00 178.15 179.11 1jcm h ALA 175 N -0.01 1.76 0.00 1.87 0.00 0.05 0.14 119.26 123.08 1jcm h ALA 175 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jcm h ALA 175 Cb 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jcm h ALA 175 CO 0.00 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1jcm n LEU 176 N -4.50 0.00 -2.34 0.00 4.77 0.69 -4.90 117.00 110.72 1jcm n LEU 176 Ca 0.13 0.15 -0.20 0.00 -0.03 0.00 0.00 56.01 56.06 1jcm n LEU 176 Cb 0.32 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1jcm n LEU 176 CO 0.32 -0.01 -0.18 0.61 -1.33 0.00 0.00 177.39 176.80 1jcm n GLY 177 N 0.97 -0.42 3.74 -0.72 0.00 0.50 -4.93 105.19 104.33 1jcm n GLY 177 Ca 0.17 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1jcm n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcm n ALA 178 N -2.32 2.38 0.10 4.61 0.00 -0.33 -4.94 120.51 120.01 1jcm n ALA 178 Ca -0.20 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.41 1jcm n ALA 178 Cb 0.66 -2.44 -0.15 0.00 0.00 0.00 0.00 19.45 17.52 1jcm n ALA 178 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jcm h LYS 179 N 4.72 0.38 -4.35 0.00 1.57 -1.86 -3.44 116.57 113.59 1jcm h LYS 179 Ca -0.47 -0.65 -0.62 0.00 -1.87 0.00 0.00 60.65 57.05 1jcm h LYS 179 Cb 1.23 0.24 -0.38 0.00 0.08 0.00 0.00 32.23 33.40 1jcm h LYS 179 CO 0.79 1.28 -0.78 0.08 -0.57 0.00 0.00 179.45 180.25 1jcm s VAL 180 N -2.61 1.58 -0.29 0.50 1.01 -1.26 -1.21 120.40 118.13 1jcm s VAL 180 Ca -0.10 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.40 1jcm s VAL 180 Cb 0.06 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1jcm s VAL 180 CO 0.89 -0.20 0.18 -0.69 0.00 0.00 0.00 175.10 175.28 1jcm s VAL 181 N 1.35 5.17 -0.24 2.92 1.01 -0.41 -0.04 120.40 130.17 1jcm s VAL 181 Ca -0.03 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 1jcm s VAL 181 Cb -0.19 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1jcm s VAL 181 CO -0.08 0.21 0.30 -0.83 0.00 0.00 0.00 175.10 174.69 1jcm s GLY 182 N 1.73 1.99 -0.30 4.51 0.00 0.33 -0.79 107.32 114.79 1jcm s GLY 182 Ca 0.07 -0.77 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 1jcm s GLY 182 CO 0.10 0.71 0.33 -0.42 0.00 0.00 0.00 173.10 173.82 1jcm s ILE 183 N 1.48 5.20 -0.32 0.90 1.01 0.13 -1.09 121.20 128.51 1jcm s ILE 183 Ca 0.13 0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.84 1jcm s ILE 183 Cb -0.15 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 1jcm s ILE 183 CO 0.08 0.08 0.67 0.21 0.00 0.00 0.00 174.94 175.98 1jcm s ASN 184 N 1.70 6.52 0.09 3.58 3.84 -0.90 -1.05 114.94 128.73 1jcm s ASN 184 Ca 0.12 0.42 0.22 0.00 0.21 0.00 0.00 52.86 53.83 1jcm s ASN 184 Cb -0.16 -2.35 0.90 0.00 -0.55 0.00 0.00 41.25 39.09 1jcm s ASN 184 CO 0.11 -0.54 1.70 0.59 -2.79 0.00 0.00 177.10 176.17 1jcm n ASN 185 N 6.01 0.28 -4.80 -4.21 3.02 -0.28 -4.73 115.26 110.54 1jcm n ASN 185 Ca 0.00 0.55 -0.36 0.00 -0.03 0.00 0.00 54.58 54.74 1jcm n ASN 185 Cb 0.49 -0.61 -0.07 0.00 -0.61 0.00 0.00 39.78 38.97 1jcm n ASN 185 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jcm s ARG 186 N -3.08 3.81 -0.63 3.52 3.52 -1.26 -0.60 118.95 124.23 1jcm s ARG 186 Ca 0.09 -0.18 -0.24 0.00 -0.13 0.00 0.00 55.73 55.27 1jcm s ARG 186 Cb 0.13 -3.30 0.05 0.00 -1.56 0.00 0.00 34.95 30.27 1jcm s ARG 186 CO 0.42 0.54 1.02 0.34 -0.81 0.00 0.00 175.30 176.81 1jcm s ASP 187 N -0.34 6.25 0.00 -2.12 3.68 0.83 -4.90 116.67 120.07 1jcm s ASP 187 Ca 0.11 -0.61 0.08 0.00 2.13 0.00 0.00 52.55 54.26 1jcm s ASP 187 Cb -0.12 -2.46 0.46 0.00 -1.45 0.00 0.00 42.92 39.36 1jcm s ASP 187 CO 0.01 -1.43 0.90 0.18 0.13 0.00 0.00 175.17 174.96 1jcm n LEU 188 N 7.93 0.00 -0.02 -1.34 4.77 -1.26 0.14 117.00 127.22 1jcm n LEU 188 Ca -0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1jcm n LEU 188 Cb 0.47 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1jcm n LEU 188 CO 0.65 0.00 -0.08 0.00 -1.33 0.00 0.00 177.39 176.64 1jcm n ASP 190 N -2.91 2.76 -2.13 0.00 5.75 -1.17 -2.04 116.55 116.81 1jcm n ASP 190 Ca -0.02 -1.89 -0.20 0.00 -0.01 0.00 0.00 54.79 52.68 1jcm n ASP 190 Cb 0.06 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.02 1jcm n ASP 190 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jcm n LEU 191 N 1.08 -1.83 -4.89 -2.12 4.77 0.38 -5.00 117.00 109.40 1jcm n LEU 191 Ca 0.17 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.92 1jcm n LEU 191 Cb 0.53 -2.78 -0.01 0.00 -2.33 0.00 0.00 43.42 38.83 1jcm n LEU 191 CO 0.15 -0.32 0.47 -0.94 -1.33 0.00 0.00 177.39 175.43 1jcm s SER 192 N -2.21 6.32 -0.03 -1.43 1.04 -1.19 -4.76 113.70 111.44 1jcm s SER 192 Ca 0.00 1.03 0.07 0.00 0.48 0.00 0.00 55.95 57.54 1jcm s SER 192 Cb 0.00 -2.29 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 1jcm s SER 192 CO 0.00 -0.57 -0.24 -0.63 0.98 0.00 0.00 173.24 172.78 1jcm s ILE 193 N -2.70 2.19 -0.29 -1.02 1.01 -1.26 -0.12 121.20 119.01 1jcm s ILE 193 Ca 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1jcm s ILE 193 Cb -0.10 -1.77 0.14 0.00 0.01 0.00 0.00 42.46 40.74 1jcm s ILE 193 CO 0.42 0.58 0.33 -0.62 0.00 0.00 0.00 174.94 175.66 1jcm s ASP 194 N -0.59 1.28 0.00 3.58 2.15 0.24 -5.01 116.67 118.32 1jcm s ASP 194 Ca 0.09 -0.69 0.11 0.00 0.43 0.00 0.00 52.55 52.48 1jcm s ASP 194 Cb -0.10 0.68 0.49 0.00 -0.30 0.00 0.00 42.92 43.68 1jcm s ASP 194 CO -0.00 -0.37 1.30 0.18 -0.17 0.00 0.00 175.17 176.10 1jcm n LEU 195 N 5.27 0.00 0.26 -1.34 4.77 -1.26 -2.13 117.00 122.56 1jcm n LEU 195 Ca -0.01 0.41 0.15 0.00 -0.03 0.00 0.00 56.01 56.54 1jcm n LEU 195 Cb 0.47 -0.41 0.55 0.00 -2.33 0.00 0.00 43.42 41.70 1jcm n LEU 195 CO 0.00 -0.26 0.92 0.78 -1.33 0.00 0.00 177.39 177.50 1jcm h ASN 196 N 0.00 0.00 -0.82 -1.43 2.35 -1.95 -2.66 115.58 111.07 1jcm h ASN 196 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1jcm h ASN 196 Cb 0.15 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 1jcm h ASN 196 CO 0.00 0.05 0.54 0.03 -1.65 0.00 0.00 177.43 176.40 1jcm h ARG 197 N 0.00 0.88 -0.13 0.81 3.08 -1.80 1.10 114.38 118.32 1jcm h ARG 197 Ca -0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1jcm h ARG 197 Cb 0.64 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1jcm h ARG 197 CO 0.01 0.58 -0.01 1.15 -1.07 0.00 0.00 179.97 180.63 1jcm h THR 198 N 0.91 1.26 -0.77 2.04 2.02 -1.69 0.37 112.91 117.05 1jcm h THR 198 Ca 0.35 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.71 1jcm h THR 198 Cb 0.22 1.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 1jcm h THR 198 CO -0.13 0.25 0.48 0.03 0.37 0.00 0.00 175.52 176.52 1jcm h ARG 199 N -0.04 0.88 0.15 6.66 3.08 -1.00 -2.41 114.38 121.70 1jcm h ARG 199 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1jcm h ARG 199 Cb 0.39 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1jcm h ARG 199 CO 0.01 0.58 -0.07 0.93 -1.07 0.00 0.00 179.97 180.35 1jcm h GLU 200 N 0.91 -0.20 -0.01 0.04 4.39 0.13 -3.37 114.58 116.48 1jcm h GLU 200 Ca 0.32 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1jcm h GLU 200 Cb 0.07 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1jcm h GLU 200 CO -0.13 0.16 -0.19 1.28 -1.16 0.00 0.00 179.01 178.97 1jcm n LEU 201 N -5.01 0.84 0.01 1.33 4.77 0.10 -4.42 117.00 114.62 1jcm n LEU 201 Ca -0.09 -0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.54 1jcm n LEU 201 Cb 0.23 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 1jcm n LEU 201 CO 0.31 0.16 -0.68 0.00 -1.33 0.00 0.00 177.39 175.85 1jcm h ALA 202 N 3.69 0.48 -1.00 -1.18 0.00 -1.59 -3.40 119.26 116.27 1jcm h ALA 202 Ca 0.00 -1.37 0.28 0.00 0.00 0.00 0.00 54.91 53.82 1jcm h ALA 202 Cb 0.45 0.60 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1jcm h ALA 202 CO 0.00 1.35 0.57 -1.35 0.00 0.00 0.00 179.25 179.81 1jcm h PRO 203 N 0.06 0.45 -0.01 0.00 0.11 -1.77 -1.74 132.00 129.09 1jcm h PRO 203 Ca -0.37 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.57 1jcm h PRO 203 Cb 2.03 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 33.02 1jcm h PRO 203 CO 0.10 0.30 -0.65 -0.22 -0.21 0.00 0.00 178.00 177.32 1jcm h LYS 204 N 0.46 0.05 0.00 1.05 3.64 -1.87 -3.37 116.57 116.54 1jcm h LYS 204 Ca 0.68 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 1jcm h LYS 204 Cb 1.40 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1jcm h LYS 204 CO -0.53 0.69 0.25 1.28 -2.27 0.00 0.00 179.45 178.87 1jcm n LEU 205 N -3.78 0.00 -0.87 5.20 4.77 -0.66 -4.94 117.00 116.72 1jcm n LEU 205 Ca -0.01 0.18 0.07 0.00 -0.03 0.00 0.00 56.01 56.21 1jcm n LEU 205 Cb 0.65 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1jcm n LEU 205 CO 0.43 -0.18 -0.22 0.61 -1.33 0.00 0.00 177.39 176.70 1jcm n GLY 206 N -1.14 -1.19 1.97 -0.72 0.00 -1.26 -4.59 105.19 98.26 1jcm n GLY 206 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 1jcm n GLY 206 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jcm n HIS 207 N -3.28 -3.39 -1.25 1.61 1.44 -1.26 -3.55 115.22 105.53 1jcm n HIS 207 Ca -0.03 -0.55 -0.11 0.00 -2.01 0.00 0.00 57.72 55.02 1jcm n HIS 207 Cb 0.39 -0.68 -0.05 0.00 0.12 0.00 0.00 29.99 29.77 1jcm n HIS 207 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1jcm n ASN 208 N -4.23 -4.46 -3.68 4.39 0.23 -1.26 -4.88 115.26 101.36 1jcm n ASN 208 Ca 0.09 0.28 -0.27 0.00 -0.53 0.00 0.00 54.58 54.14 1jcm n ASN 208 Cb 0.34 -3.59 -0.16 0.00 -2.08 0.00 0.00 39.78 34.29 1jcm n ASN 208 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jcm s VAL 209 N -1.87 0.32 -0.23 3.53 1.01 -1.23 -4.69 120.40 117.24 1jcm s VAL 209 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 1jcm s VAL 209 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1jcm s VAL 209 CO 0.00 -0.30 0.78 -0.89 0.00 0.00 0.00 175.10 174.68 1jcm s THR 210 N 1.94 4.89 -0.21 3.92 2.01 -0.35 -4.88 115.64 122.96 1jcm s THR 210 Ca 0.01 1.47 -0.16 0.00 0.31 0.00 0.00 61.69 63.33 1jcm s THR 210 Cb -0.17 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1jcm s THR 210 CO -0.12 -0.02 0.39 -0.69 -0.69 0.00 0.00 174.62 173.49 1jcm s VAL 211 N 2.58 5.20 -0.17 3.82 1.01 -1.26 -1.28 120.40 130.29 1jcm s VAL 211 Ca 0.33 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 1jcm s VAL 211 Cb -0.16 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1jcm s VAL 211 CO 0.09 0.24 -0.12 -0.63 0.00 0.00 0.00 175.10 174.67 1jcm s ILE 212 N 1.42 2.91 -0.22 2.22 -1.09 0.03 -0.10 121.20 126.37 1jcm s ILE 212 Ca 0.18 -0.68 -0.18 0.00 -2.23 0.00 0.00 60.65 57.74 1jcm s ILE 212 Cb -0.15 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 1jcm s ILE 212 CO 0.08 0.50 0.52 -0.55 -1.23 0.00 0.00 174.94 174.25 1jcm s SER 213 N 0.89 6.51 -0.02 3.58 0.15 0.20 0.18 113.70 125.18 1jcm s SER 213 Ca -0.03 0.62 0.07 0.00 0.70 0.00 0.00 55.95 57.30 1jcm s SER 213 Cb -0.15 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1jcm s SER 213 CO -0.00 -0.22 -0.22 -1.61 1.20 0.00 0.00 173.24 172.39 1jcm s GLU 214 N 1.88 2.20 0.04 5.44 2.02 -0.21 -1.55 118.70 128.51 1jcm s GLU 214 Ca 0.23 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1jcm s GLU 214 Cb -0.15 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1jcm s GLU 214 CO 0.09 0.57 0.00 0.43 0.02 0.00 0.00 175.26 176.38 1jcm n SER 215 N 2.30 -1.44 0.00 -0.19 7.64 -1.19 -1.13 113.62 119.61 1jcm n SER 215 Ca -0.16 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1jcm n SER 215 Cb 0.51 0.57 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 1jcm n SER 215 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jcm n GLY 216 N -1.07 2.47 3.59 0.23 0.00 -1.26 -4.51 105.19 104.64 1jcm n GLY 216 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jcm n GLY 216 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jcm s ILE 217 N -2.99 3.51 -0.18 -0.61 1.09 -1.26 -4.78 121.20 115.98 1jcm s ILE 217 Ca 0.00 0.48 0.06 0.00 -1.10 0.00 0.00 60.65 60.09 1jcm s ILE 217 Cb 0.00 -3.79 -0.15 0.00 -1.06 0.00 0.00 42.46 37.46 1jcm s ILE 217 CO 0.00 -0.57 -0.08 0.59 -0.10 0.00 0.00 174.94 174.78 1jcm n ASN 218 N 10.65 1.95 -4.67 3.58 4.13 -1.26 -4.45 115.26 125.20 1jcm n ASN 218 Ca 0.21 -0.06 -0.28 0.00 1.68 0.00 0.00 54.58 56.13 1jcm n ASN 218 Cb 0.48 0.18 -0.10 0.00 -1.54 0.00 0.00 39.78 38.80 1jcm n ASN 218 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1jcm s THR 219 N -2.38 1.88 0.11 3.41 -4.23 -1.26 -4.90 115.64 108.26 1jcm s THR 219 Ca -0.19 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 58.29 1jcm s THR 219 Cb 0.06 -2.82 -0.18 0.00 1.34 0.00 0.00 72.50 70.90 1jcm s THR 219 CO 0.53 0.00 1.29 0.22 -0.54 0.00 0.00 174.62 176.11 1jcm h TYR 220 N 1.61 0.85 -0.88 3.99 3.20 -1.78 -2.78 116.97 121.18 1jcm h TYR 220 Ca -0.44 -0.43 0.11 0.00 3.14 0.00 0.00 58.73 61.11 1jcm h TYR 220 Cb 1.26 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 39.34 1jcm h TYR 220 CO 0.87 1.25 0.52 0.00 -1.64 0.00 0.00 178.16 179.16 1jcm h ALA 221 N 0.62 1.28 -0.35 1.82 0.00 -1.93 0.40 119.26 121.09 1jcm h ALA 221 Ca -0.08 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1jcm h ALA 221 Cb 1.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1jcm h ALA 221 CO 0.17 0.13 -0.22 1.96 0.00 0.00 0.00 179.25 181.29 1jcm h GLN 222 N 0.84 0.68 0.41 0.00 4.20 -1.95 0.19 115.11 119.49 1jcm h GLN 222 Ca 0.43 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1jcm h GLN 222 Cb 0.42 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1jcm h GLN 222 CO -0.26 0.84 -0.20 0.28 -0.67 0.00 0.00 178.83 178.83 1jcm h VAL 223 N 0.60 0.59 -0.40 -0.54 2.07 -0.67 -1.55 116.25 116.35 1jcm h VAL 223 Ca 0.09 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1jcm h VAL 223 Cb 0.69 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1jcm h VAL 223 CO 0.05 0.05 0.09 -0.09 0.02 0.00 0.00 177.57 177.69 1jcm h ARG 224 N -0.71 0.21 -0.28 1.57 2.43 -0.13 -0.23 114.38 117.25 1jcm h ARG 224 Ca -0.06 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1jcm h ARG 224 Cb 0.50 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1jcm h ARG 224 CO 0.09 0.14 -0.11 1.05 -1.51 0.00 0.00 179.97 179.64 1jcm h GLU 225 N 0.22 0.56 0.00 0.20 4.11 -0.94 -2.98 114.58 115.75 1jcm h GLU 225 Ca 0.19 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1jcm h GLU 225 Cb 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1jcm h GLU 225 CO -0.25 0.79 0.00 1.28 0.07 0.00 0.00 179.01 180.90 1jcm n LEU 226 N -4.47 0.08 0.00 3.06 4.77 -0.59 -2.40 117.00 117.45 1jcm n LEU 226 Ca -0.03 0.52 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 1jcm n LEU 226 Cb 0.34 -0.50 0.53 0.00 -2.33 0.00 0.00 43.42 41.46 1jcm n LEU 226 CO 0.41 -0.25 0.83 -1.54 -1.33 0.00 0.00 177.39 175.51 1jcm n SER 227 N -1.58 0.00 0.10 -1.43 3.41 -0.11 -1.59 113.62 112.41 1jcm n SER 227 Ca 0.04 -0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1jcm n SER 227 Cb 0.20 -0.27 0.20 0.00 -0.26 0.00 0.00 64.21 64.08 1jcm n SER 227 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1jcm h HIS 228 N 0.00 0.00 0.00 7.33 3.86 -1.63 -3.38 115.15 121.32 1jcm h HIS 228 Ca 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1jcm h HIS 228 Cb 0.19 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1jcm h HIS 228 CO 0.00 0.00 -1.53 1.19 0.86 0.00 0.00 177.93 178.45 1jcm n PHE 229 N -2.37 0.00 -4.34 2.45 3.01 -0.62 -5.06 117.46 110.54 1jcm n PHE 229 Ca 0.03 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.25 1jcm n PHE 229 Cb 0.47 -0.37 -0.09 0.00 -0.01 0.00 0.00 39.48 39.48 1jcm n PHE 229 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jcm s ALA 230 N -2.19 2.97 -0.17 4.37 0.00 -0.74 -4.77 121.76 121.24 1jcm s ALA 230 Ca -0.07 -1.64 0.15 0.00 0.00 0.00 0.00 51.96 50.40 1jcm s ALA 230 Cb 0.03 -0.62 0.06 0.00 0.00 0.00 0.00 23.12 22.59 1jcm s ALA 230 CO 0.28 0.34 1.42 -0.91 0.00 0.00 0.00 175.76 176.88 1jcm h ASN 231 N 2.37 0.00 -5.09 0.00 4.21 -0.83 -3.42 115.58 112.82 1jcm h ASN 231 Ca -0.44 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.09 1jcm h ASN 231 Cb 1.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 1jcm h ASN 231 CO 0.58 0.48 0.34 -0.83 -1.29 0.00 0.00 177.43 176.71 1jcm s GLY 232 N -4.47 0.31 0.05 2.83 0.00 -0.79 -1.28 107.32 103.97 1jcm s GLY 232 Ca 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 44.72 44.13 1jcm s GLY 232 CO 0.75 0.28 -0.10 -1.36 0.00 0.00 0.00 173.10 172.67 1jcm s PHE 233 N -2.29 0.83 -0.26 1.90 0.08 -0.37 -0.63 117.98 117.23 1jcm s PHE 233 Ca 0.17 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.76 1jcm s PHE 233 Cb -0.05 -0.48 0.05 0.00 -0.57 0.00 0.00 43.02 41.98 1jcm s PHE 233 CO 0.10 -0.04 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.91 1jcm s LEU 234 N -1.58 3.39 -0.14 -0.37 0.20 -0.60 -0.23 118.68 119.34 1jcm s LEU 234 Ca -0.07 -1.31 0.01 0.00 0.69 0.00 0.00 54.13 53.44 1jcm s LEU 234 Cb -0.10 -1.56 -0.00 0.00 -0.43 0.00 0.00 46.19 44.10 1jcm s LEU 234 CO 0.01 -0.18 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.09 1jcm s ILE 235 N 1.14 2.58 0.00 6.68 1.01 -0.82 -3.17 121.20 128.62 1jcm s ILE 235 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1jcm s ILE 235 Cb -0.19 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1jcm s ILE 235 CO -0.05 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1jcm n GLY 236 N 3.93 0.04 0.32 6.18 0.00 -1.26 -1.78 105.19 112.63 1jcm n GLY 236 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1jcm n GLY 236 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jcm h SER 237 N 0.00 0.71 -0.24 1.61 0.02 -1.92 -1.54 113.55 112.19 1jcm h SER 237 Ca 0.00 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1jcm h SER 237 Cb 0.00 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1jcm h SER 237 CO 0.00 0.36 0.38 0.00 -1.14 0.00 0.00 176.83 176.44 1jcm h ALA 238 N 1.51 1.79 0.00 3.77 0.00 -1.91 -1.15 119.26 123.27 1jcm h ALA 238 Ca 0.45 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 55.03 1jcm h ALA 238 Cb 0.50 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1jcm h ALA 238 CO -0.29 -0.51 -2.05 1.28 0.00 0.00 0.00 179.25 177.68 1jcm n LEU 239 N -3.40 1.77 0.33 0.00 4.77 -0.86 -4.60 117.00 115.01 1jcm n LEU 239 Ca 0.03 0.30 0.21 0.00 -0.03 0.00 0.00 56.01 56.53 1jcm n LEU 239 Cb 0.51 -0.72 1.16 0.00 -2.33 0.00 0.00 43.42 42.03 1jcm n LEU 239 CO 0.22 0.33 1.18 0.24 -1.33 0.00 0.00 177.39 178.02 1jcm h MET 240 N -0.89 0.00 -0.02 3.23 2.86 -1.13 -2.04 114.93 116.94 1jcm h MET 240 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1jcm h MET 240 Cb 1.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1jcm h MET 240 CO -0.30 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.67 1jcm n ALA 241 N -2.10 2.62 -2.47 6.32 0.00 -0.45 -4.18 120.51 120.25 1jcm n ALA 241 Ca -0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 1jcm n ALA 241 Cb 0.10 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.07 1jcm n ALA 241 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1jcm s HIS 242 N -1.98 1.96 0.01 0.00 3.76 -0.77 -5.04 115.29 113.23 1jcm s HIS 242 Ca 0.33 -0.40 -0.27 0.00 -0.15 0.00 0.00 55.06 54.57 1jcm s HIS 242 Cb 0.16 -1.27 -0.15 0.00 1.11 0.00 0.00 32.58 32.43 1jcm s HIS 242 CO 0.26 -0.06 1.11 0.22 -0.85 0.00 0.00 174.74 175.42 1jcm h ASP 243 N 5.69 -0.81 -1.02 1.40 1.82 -1.87 -3.34 116.42 118.29 1jcm h ASP 243 Ca -0.39 0.03 -0.38 0.00 -0.39 0.00 0.00 57.03 55.91 1jcm h ASP 243 Cb 1.14 0.21 -0.05 0.00 0.68 0.00 0.00 39.33 41.31 1jcm h ASP 243 CO 0.48 -0.44 0.95 -0.62 -1.61 0.00 0.00 179.24 178.00 1jcm s ASP 244 N -4.43 5.38 0.35 2.28 -1.08 -1.26 -4.77 116.67 113.15 1jcm s ASP 244 Ca -0.14 -0.62 0.10 0.00 -0.52 0.00 0.00 52.55 51.37 1jcm s ASP 244 Cb 0.01 -2.56 0.65 0.00 -1.46 0.00 0.00 42.92 39.57 1jcm s ASP 244 CO 0.42 -2.49 1.81 0.25 0.52 0.00 0.00 175.17 175.68 1jcm h LEU 245 N 16.78 0.14 -0.22 -1.34 5.85 -1.90 -2.62 115.31 132.00 1jcm h LEU 245 Ca 0.04 -0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1jcm h LEU 245 Cb 1.03 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1jcm h LEU 245 CO 1.24 0.46 -0.60 -0.74 -0.34 0.00 0.00 178.44 178.46 1jcm h HIS 246 N 0.12 1.03 -0.03 1.25 2.76 -1.94 -2.69 115.15 115.66 1jcm h HIS 246 Ca 0.02 -0.40 -0.05 0.00 -2.20 0.00 0.00 60.37 57.73 1jcm h HIS 246 Cb 0.63 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1jcm h HIS 246 CO 0.01 1.23 -0.22 0.00 -1.30 0.00 0.00 177.93 177.64 1jcm h ALA 247 N 0.61 1.58 -0.38 5.26 0.00 -1.94 -2.20 119.26 122.19 1jcm h ALA 247 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1jcm h ALA 247 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1jcm h ALA 247 CO 0.13 0.31 -0.35 0.00 0.00 0.00 0.00 179.25 179.34 1jcm h ALA 248 N 1.74 0.64 -0.07 0.00 0.00 -1.30 -2.11 119.26 118.16 1jcm h ALA 248 Ca 0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1jcm h ALA 248 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jcm h ALA 248 CO 0.03 0.67 -0.48 0.28 0.00 0.00 0.00 179.25 179.76 1jcm h VAL 249 N 0.74 1.34 -0.31 0.00 2.07 -1.12 -1.80 116.25 117.17 1jcm h VAL 249 Ca 0.07 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 65.81 1jcm h VAL 249 Cb 0.93 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1jcm h VAL 249 CO 0.09 0.49 -0.21 0.03 0.02 0.00 0.00 177.57 177.99 1jcm h ARG 250 N 0.15 0.70 0.23 1.57 3.08 -1.23 -1.21 114.38 117.67 1jcm h ARG 250 Ca 0.01 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1jcm h ARG 250 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1jcm h ARG 250 CO 0.07 0.94 -0.11 0.00 -1.07 0.00 0.00 179.97 179.80 1jcm h ARG 251 N 0.46 -0.30 0.12 0.04 3.08 -1.24 0.41 114.38 116.95 1jcm h ARG 251 Ca 0.06 0.02 -0.29 0.00 0.07 0.00 0.00 59.98 59.85 1jcm h ARG 251 Cb 0.76 0.07 0.03 0.00 0.08 0.00 0.00 29.97 30.91 1jcm h ARG 251 CO 0.06 0.04 -1.19 0.28 -1.07 0.00 0.00 179.97 178.08 1jcm h VAL 252 N -0.68 1.30 0.07 2.04 2.07 -1.43 -2.43 116.25 117.19 1jcm h VAL 252 Ca -0.03 -2.44 -0.35 0.00 0.82 0.00 0.00 66.70 64.70 1jcm h VAL 252 Cb 0.48 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 1jcm h VAL 252 CO 0.05 0.74 -1.98 0.18 0.02 0.00 0.00 177.57 176.58 1jcm n LEU 253 N -3.84 2.01 -0.35 2.57 4.32 -0.48 -3.85 117.00 117.38 1jcm n LEU 253 Ca -0.14 0.23 0.10 0.00 -0.02 0.00 0.00 56.01 56.18 1jcm n LEU 253 Cb 0.96 -0.63 -0.04 0.00 -1.62 0.00 0.00 43.42 42.10 1jcm n LEU 253 CO 0.57 0.71 0.20 0.18 -1.22 0.00 0.00 177.39 177.83 1jcm n LEU 254 N -3.29 1.70 -2.89 2.23 4.77 -1.00 -4.94 117.00 113.59 1jcm n LEU 254 Ca -0.29 -0.69 -0.21 0.00 -0.03 0.00 0.00 56.01 54.79 1jcm n LEU 254 Cb 1.05 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.15 1jcm n LEU 254 CO 0.42 0.33 -0.08 0.61 -1.33 0.00 0.00 177.39 177.34 1jcm n GLY 255 N 1.41 -0.51 0.00 -0.72 0.00 -0.74 -4.95 105.19 99.68 1jcm n GLY 255 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1jcm n GLY 255 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jcm n GLU 256 N -3.63 2.48 -1.52 1.61 2.13 0.14 -4.36 120.64 117.49 1jcm n GLU 256 Ca -0.13 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.63 1jcm n GLU 256 Cb 0.62 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.31 1jcm n GLU 256 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1jcm n ASN 257 N 0.00 -1.91 -4.42 4.31 3.02 -1.26 0.29 115.26 115.29 1jcm n ASN 257 Ca 0.00 0.21 -0.38 0.00 -0.03 0.00 0.00 54.58 54.37 1jcm n ASN 257 Cb 0.00 -1.94 -0.08 0.00 -0.61 0.00 0.00 39.78 37.16 1jcm n ASN 257 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jcm n LYS 258 N -1.75 -1.17 -0.41 3.52 4.01 -1.26 -5.06 118.16 116.05 1jcm n LYS 258 Ca -0.07 0.17 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 1jcm n LYS 258 Cb 0.30 -4.45 0.00 0.00 -0.51 0.00 0.00 35.03 30.37 1jcm n LYS 258 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84