#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr9 s VAL 2 N 0.00 4.23 0.00 3.15 1.01 -1.26 -0.82 120.40 126.71 1cr9 s VAL 2 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1cr9 s VAL 2 Cb 0.00 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1cr9 s VAL 2 CO 0.00 -1.55 0.49 1.17 0.00 0.00 0.00 175.10 175.22 1cr9 n LYS 3 N 7.97 -0.97 -4.48 2.72 3.00 -0.69 -4.91 118.16 120.80 1cr9 n LYS 3 Ca 0.00 -0.49 -0.33 0.00 -0.00 0.00 0.00 58.31 57.49 1cr9 n LYS 3 Cb 0.46 -0.99 -0.10 0.00 0.00 0.00 0.00 35.03 34.40 1cr9 n LYS 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1cr9 s LEU 4 N -0.00 3.21 -0.20 3.14 1.43 -0.93 -4.29 118.68 121.03 1cr9 s LEU 4 Ca 0.00 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1cr9 s LEU 4 Cb 0.00 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1cr9 s LEU 4 CO 0.00 0.30 0.07 -1.10 0.23 0.00 0.00 176.35 175.86 1cr9 s GLN 5 N -1.27 3.93 0.19 1.70 -0.21 0.32 -3.51 119.66 120.79 1cr9 s GLN 5 Ca 0.16 -0.36 0.08 0.00 0.02 0.00 0.00 55.36 55.26 1cr9 s GLN 5 Cb -0.11 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 1cr9 s GLN 5 CO 0.06 0.17 -0.00 -0.65 -2.12 0.00 0.00 175.29 172.75 1cr9 s GLN 6 N 0.67 2.39 0.93 2.91 -0.21 -1.26 -0.94 119.66 124.15 1cr9 s GLN 6 Ca 0.04 -1.14 -0.11 0.00 0.02 0.00 0.00 55.36 54.17 1cr9 s GLN 6 Cb -0.13 -2.33 0.12 0.00 1.00 0.00 0.00 33.01 31.66 1cr9 s GLN 6 CO 0.02 0.44 0.93 -1.13 -2.12 0.00 0.00 175.29 173.43 1cr9 n SER 7 N -0.21 -0.38 -4.76 5.90 3.41 -0.97 -4.97 113.62 111.63 1cr9 n SER 7 Ca -0.09 0.39 -0.29 0.00 -0.26 0.00 0.00 58.87 58.62 1cr9 n SER 7 Cb 0.56 -1.40 0.14 0.00 -0.26 0.00 0.00 64.21 63.25 1cr9 n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1cr9 s GLY 8 N -2.45 1.58 0.56 5.00 0.00 -1.26 -4.58 107.32 106.16 1cr9 s GLY 8 Ca 0.64 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.77 1cr9 s GLY 8 CO 0.61 0.14 0.32 0.00 0.00 0.00 0.00 173.10 174.17 1cr9 n ALA 9 N -3.83 -1.76 -2.61 3.20 0.00 -1.26 -4.76 120.51 109.48 1cr9 n ALA 9 Ca 0.06 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1cr9 n ALA 9 Cb 0.58 -1.70 -0.15 0.00 0.00 0.00 0.00 19.45 18.18 1cr9 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1cr9 s GLU 10 N -1.78 1.23 -0.17 0.00 0.41 0.24 -4.66 118.70 113.98 1cr9 s GLU 10 Ca 0.65 -0.52 0.01 0.00 -0.41 0.00 0.00 54.97 54.70 1cr9 s GLU 10 Cb -0.46 -1.18 0.02 0.00 -1.78 0.00 0.00 34.13 30.74 1cr9 s GLU 10 CO 0.58 0.30 -0.18 -1.17 -0.49 0.00 0.00 175.26 174.30 1cr9 s LEU 11 N -0.28 1.97 0.02 1.80 2.96 -1.26 -0.40 118.68 123.50 1cr9 s LEU 11 Ca 0.04 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1cr9 s LEU 11 Cb -0.06 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1cr9 s LEU 11 CO -0.00 -0.02 -0.04 0.68 -1.32 0.00 0.00 176.35 175.64 1cr9 s VAL 12 N 1.36 0.26 0.64 1.68 -7.23 -0.68 -4.99 120.40 111.44 1cr9 s VAL 12 Ca 0.05 -0.85 -0.15 0.00 -1.81 0.00 0.00 61.98 59.22 1cr9 s VAL 12 Cb -0.13 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.44 1cr9 s VAL 12 CO -0.12 -0.38 1.09 -0.13 -0.31 0.00 0.00 175.10 175.25 1cr9 s ARG 13 N -1.30 2.98 0.35 4.82 0.52 -1.25 -1.48 118.95 123.59 1cr9 s ARG 13 Ca -0.12 1.32 -0.28 0.00 -0.52 0.00 0.00 55.73 56.13 1cr9 s ARG 13 Cb -0.09 -1.98 -0.11 0.00 0.52 0.00 0.00 34.95 33.30 1cr9 s ARG 13 CO -0.00 -1.09 1.39 0.45 0.02 0.00 0.00 175.30 176.06 1cr9 s SER 14 N -2.68 6.58 0.00 0.23 0.15 -1.26 -2.23 113.70 114.49 1cr9 s SER 14 Ca 0.66 2.85 0.00 0.00 0.70 0.00 0.00 55.95 60.16 1cr9 s SER 14 Cb -0.19 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1cr9 s SER 14 CO 0.40 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1cr9 n GLY 15 N 0.68 2.78 1.88 9.45 0.00 0.15 -4.90 105.19 115.23 1cr9 n GLY 15 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1cr9 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr9 n ALA 16 N -1.06 -0.67 -2.43 4.61 0.00 -0.95 -3.98 120.51 116.03 1cr9 n ALA 16 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 53.44 52.36 1cr9 n ALA 16 Cb 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 1cr9 n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cr9 s SER 17 N -3.33 2.96 -0.07 0.00 0.15 -1.26 -1.88 113.70 110.27 1cr9 s SER 17 Ca 0.36 -0.93 -0.17 0.00 0.70 0.00 0.00 55.95 55.91 1cr9 s SER 17 Cb -0.01 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1cr9 s SER 17 CO 0.25 -0.02 0.40 0.54 1.20 0.00 0.00 173.24 175.62 1cr9 s VAL 18 N -2.27 0.03 -0.13 4.45 0.11 -0.54 -5.00 120.40 117.05 1cr9 s VAL 18 Ca 0.21 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1cr9 s VAL 18 Cb -0.05 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1cr9 s VAL 18 CO 0.09 -0.13 -0.17 -0.75 -3.33 0.00 0.00 175.10 170.81 1cr9 s LYS 19 N -0.77 2.48 -0.02 1.54 2.20 -1.26 -0.64 119.74 123.27 1cr9 s LYS 19 Ca -0.08 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 54.86 1cr9 s LYS 19 Cb -0.04 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1cr9 s LYS 19 CO 0.04 -0.10 0.12 -0.51 -0.36 0.00 0.00 175.35 174.54 1cr9 s LEU 20 N 1.07 4.08 0.25 5.43 1.43 -0.07 -4.94 118.68 125.93 1cr9 s LEU 20 Ca -0.04 0.23 0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1cr9 s LEU 20 Cb -0.14 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 1cr9 s LEU 20 CO -0.04 0.28 -0.16 -0.94 0.23 0.00 0.00 176.35 175.72 1cr9 s SER 21 N -1.73 3.80 -0.12 2.29 1.04 -1.26 -1.18 113.70 116.55 1cr9 s SER 21 Ca 0.23 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 1cr9 s SER 21 Cb -0.12 -0.43 0.06 0.00 0.10 0.00 0.00 66.02 65.63 1cr9 s SER 21 CO 0.14 0.05 0.23 0.00 0.98 0.00 0.00 173.24 174.64 1cr9 s THR 23 N 2.38 0.63 0.02 0.00 -1.32 -0.11 -0.92 115.64 116.32 1cr9 s THR 23 Ca 0.02 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.56 1cr9 s THR 23 Cb -0.12 -2.52 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 1cr9 s THR 23 CO -0.08 -0.12 -0.19 0.00 -2.21 0.00 0.00 174.62 172.03 1cr9 s ALA 24 N -3.70 1.57 -0.08 11.08 0.00 -1.26 -0.52 121.76 128.86 1cr9 s ALA 24 Ca 0.34 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1cr9 s ALA 24 Cb 0.07 -0.33 -0.26 0.00 0.00 0.00 0.00 23.12 22.60 1cr9 s ALA 24 CO 0.11 0.36 0.54 0.77 0.00 0.00 0.00 175.76 177.54 1cr9 h SER 25 N 5.17 0.32 -0.28 0.00 0.02 -1.97 -3.41 113.55 113.40 1cr9 h SER 25 Ca -0.40 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 59.91 1cr9 h SER 25 Cb 1.16 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1cr9 h SER 25 CO 0.45 1.57 0.00 0.61 -1.14 0.00 0.00 176.83 178.32 1cr9 n GLY 26 N 1.82 1.45 3.45 -3.77 0.00 -1.26 -5.01 105.19 101.87 1cr9 n GLY 26 Ca -0.25 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 1cr9 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cr9 s PHE 27 N -1.23 -0.04 -0.21 1.61 -0.12 -1.26 -5.14 117.98 111.59 1cr9 s PHE 27 Ca 0.28 -0.30 -0.21 0.00 -0.05 0.00 0.00 56.93 56.65 1cr9 s PHE 27 Cb 0.17 0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 1cr9 s PHE 27 CO 0.23 -0.85 0.65 1.21 -0.05 0.00 0.00 175.22 176.42 1cr9 s ASN 28 N -2.88 6.69 0.31 1.98 3.84 -1.26 -4.68 114.94 118.95 1cr9 s ASN 28 Ca 0.09 0.84 0.26 0.00 0.21 0.00 0.00 52.86 54.27 1cr9 s ASN 28 Cb 0.00 -2.36 1.00 0.00 -0.55 0.00 0.00 41.25 39.35 1cr9 s ASN 28 CO -0.04 -0.30 1.77 0.16 -2.79 0.00 0.00 177.10 175.90 1cr9 h ILE 29 N 5.22 0.00 -0.76 -5.21 3.07 -1.93 -3.34 117.51 114.56 1cr9 h ILE 29 Ca -0.30 -0.36 0.22 0.00 1.55 0.00 0.00 64.86 65.97 1cr9 h ILE 29 Cb 1.14 1.19 -0.03 0.00 -0.27 0.00 0.00 36.82 38.85 1cr9 h ILE 29 CO 0.78 0.00 0.56 0.07 -1.05 0.00 0.00 178.15 178.51 1cr9 h LYS 30 N 0.00 0.00 0.00 0.16 2.10 -1.93 -2.59 116.57 114.31 1cr9 h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cr9 h LYS 30 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1cr9 h LYS 30 CO 0.00 0.00 -0.30 -0.25 -2.00 0.00 0.00 179.45 176.90 1cr9 n ASP 31 N -4.26 0.54 -4.14 7.07 8.00 -1.25 -3.08 116.55 119.43 1cr9 n ASP 31 Ca 0.15 0.26 -0.23 0.00 0.71 0.00 0.00 54.79 55.68 1cr9 n ASP 31 Cb 0.84 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 41.57 1cr9 n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1cr9 s TYR 32 N -3.08 1.38 0.63 1.24 1.51 -0.98 -5.07 117.35 112.98 1cr9 s TYR 32 Ca 0.10 -0.28 -0.15 0.00 -1.01 0.00 0.00 57.07 55.73 1cr9 s TYR 32 Cb 0.15 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 41.11 1cr9 s TYR 32 CO 0.64 -0.01 1.08 1.52 -1.11 0.00 0.00 175.55 177.68 1cr9 s TYR 33 N -0.46 2.81 -0.02 2.71 -0.85 -1.26 -4.48 117.35 115.81 1cr9 s TYR 33 Ca 0.05 1.53 0.06 0.00 -0.52 0.00 0.00 57.07 58.19 1cr9 s TYR 33 Cb -0.06 -3.08 -0.03 0.00 0.38 0.00 0.00 41.96 39.17 1cr9 s TYR 33 CO -0.00 -1.40 -0.20 0.42 -1.52 0.00 0.00 175.55 172.85 1cr9 s ILE 34 N -2.43 2.63 0.08 -3.49 -1.09 -0.61 -1.47 121.20 114.81 1cr9 s ILE 34 Ca 0.65 -0.98 0.06 0.00 -2.23 0.00 0.00 60.65 58.15 1cr9 s ILE 34 Cb -0.18 -2.01 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1cr9 s ILE 34 CO 0.40 0.53 -0.15 0.00 -1.23 0.00 0.00 174.94 174.49 1cr9 s GLN 35 N -0.86 0.88 -0.10 2.79 -2.07 -0.29 -0.64 119.66 119.38 1cr9 s GLN 35 Ca 0.12 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.64 1cr9 s GLN 35 Cb -0.10 -0.89 -0.02 0.00 -1.09 0.00 0.00 33.01 30.90 1cr9 s GLN 35 CO 0.01 0.19 -0.10 -1.58 -1.32 0.00 0.00 175.29 172.49 1cr9 s TRP 36 N -1.41 2.86 -0.01 9.60 0.52 -0.55 -1.54 118.94 128.40 1cr9 s TRP 36 Ca 0.01 -0.27 0.07 0.00 0.02 0.00 0.00 56.10 55.93 1cr9 s TRP 36 Cb -0.09 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1cr9 s TRP 36 CO 0.03 0.08 -0.23 0.08 0.02 0.00 0.00 176.95 176.92 1cr9 s VAL 37 N -0.26 1.79 -0.05 4.03 1.01 0.28 -1.12 120.40 126.08 1cr9 s VAL 37 Ca 0.03 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.06 1cr9 s VAL 37 Cb -0.13 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1cr9 s VAL 37 CO 0.03 0.49 -0.16 -0.75 0.00 0.00 0.00 175.10 174.71 1cr9 s LYS 38 N -0.58 2.49 -0.18 2.72 2.20 0.77 -0.48 119.74 126.69 1cr9 s LYS 38 Ca 0.09 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 1cr9 s LYS 38 Cb -0.09 -2.35 0.06 0.00 -1.51 0.00 0.00 37.83 33.95 1cr9 s LYS 38 CO -0.01 0.60 0.08 -1.14 -0.36 0.00 0.00 175.35 174.52 1cr9 s GLN 39 N -0.67 0.16 0.42 4.03 0.74 0.64 -0.55 119.66 124.42 1cr9 s GLN 39 Ca 0.10 -0.16 -0.22 0.00 0.05 0.00 0.00 55.36 55.13 1cr9 s GLN 39 Cb -0.11 -1.84 -0.10 0.00 1.10 0.00 0.00 33.01 32.05 1cr9 s GLN 39 CO 0.01 -0.68 0.97 1.03 -0.55 0.00 0.00 175.29 176.06 1cr9 s ARG 40 N 2.09 4.23 -0.38 1.67 0.52 -1.26 -0.36 118.95 125.46 1cr9 s ARG 40 Ca 0.02 1.23 -0.39 0.00 -0.52 0.00 0.00 55.73 56.06 1cr9 s ARG 40 Cb -0.16 -2.31 -0.15 0.00 0.52 0.00 0.00 34.95 32.85 1cr9 s ARG 40 CO -0.10 -0.04 2.04 -2.30 0.02 0.00 0.00 175.30 174.92 1cr9 n PRO 41 N -0.42 0.76 -1.43 3.54 -0.02 -1.26 -0.94 135.00 135.24 1cr9 n PRO 41 Ca 0.06 0.23 -0.08 0.00 -2.02 0.00 0.00 63.50 61.69 1cr9 n PRO 41 Cb 0.53 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1cr9 n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1cr9 n GLU 42 N 7.14 -0.61 -4.60 -0.52 1.02 -1.26 -5.02 120.64 116.80 1cr9 n GLU 42 Ca 0.41 0.72 -0.27 0.00 -0.02 0.00 0.00 57.16 58.00 1cr9 n GLU 42 Cb 0.12 -4.61 -0.09 0.00 -0.02 0.00 0.00 31.44 26.84 1cr9 n GLU 42 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1cr9 s GLN 43 N -3.06 1.95 0.00 3.49 -0.21 -0.11 -5.16 119.66 116.56 1cr9 s GLN 43 Ca 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 55.36 53.22 1cr9 s GLN 43 Cb 0.00 -1.20 0.00 0.00 1.00 0.00 0.00 33.01 32.81 1cr9 s GLN 43 CO 0.00 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.31 1cr9 n GLY 44 N -0.97 -2.18 3.85 3.09 0.00 -1.26 -4.61 105.19 103.11 1cr9 n GLY 44 Ca -0.09 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1cr9 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cr9 s LEU 45 N 0.00 4.42 -0.07 0.99 1.43 -1.26 -4.20 118.68 119.98 1cr9 s LEU 45 Ca 0.00 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1cr9 s LEU 45 Cb 0.00 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1cr9 s LEU 45 CO 0.00 0.28 -0.21 -1.61 0.23 0.00 0.00 176.35 175.04 1cr9 s GLU 46 N -1.40 2.45 -0.23 1.70 2.02 0.28 -4.96 118.70 118.56 1cr9 s GLU 46 Ca 0.26 -0.74 -0.21 0.00 0.02 0.00 0.00 54.97 54.30 1cr9 s GLU 46 Cb -0.15 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1cr9 s GLU 46 CO 0.14 0.20 0.64 -0.46 0.02 0.00 0.00 175.26 175.81 1cr9 s TRP 47 N 0.25 3.33 -0.13 1.61 -0.00 -1.26 -0.16 118.94 122.58 1cr9 s TRP 47 Ca -0.12 0.89 -0.24 0.00 -0.00 0.00 0.00 56.10 56.63 1cr9 s TRP 47 Cb -0.16 -2.84 -0.26 0.00 -0.00 0.00 0.00 33.47 30.22 1cr9 s TRP 47 CO 0.06 -0.26 0.63 0.82 -0.00 0.00 0.00 176.95 178.20 1cr9 h ILE 48 N 5.30 1.41 0.00 5.86 2.04 -1.49 -3.43 117.51 127.19 1cr9 h ILE 48 Ca -0.29 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.22 1cr9 h ILE 48 Cb 1.13 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1cr9 h ILE 48 CO 0.78 0.58 0.00 0.61 0.00 0.00 0.00 178.15 180.12 1cr9 n GLY 49 N 1.61 -1.91 3.20 5.37 0.00 -1.25 -0.62 105.19 111.58 1cr9 n GLY 49 Ca -0.18 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 1cr9 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1cr9 s TRP 50 N -2.45 1.12 -0.06 1.61 -2.14 -0.68 -1.48 118.94 114.86 1cr9 s TRP 50 Ca 0.00 -1.34 -0.10 0.00 2.66 0.00 0.00 56.10 57.32 1cr9 s TRP 50 Cb 0.00 -0.56 0.02 0.00 -3.10 0.00 0.00 33.47 29.83 1cr9 s TRP 50 CO 0.00 -0.60 0.25 -1.50 -2.66 0.00 0.00 176.95 172.44 1cr9 s ILE 51 N -4.12 0.03 -0.46 0.66 2.07 0.19 -1.89 121.20 117.68 1cr9 s ILE 51 Ca 0.36 -0.24 -0.19 0.00 -1.41 0.00 0.00 60.65 59.17 1cr9 s ILE 51 Cb 0.07 -0.43 0.04 0.00 0.13 0.00 0.00 42.46 42.26 1cr9 s ILE 51 CO 0.10 -0.13 0.60 -0.62 -1.91 0.00 0.00 174.94 172.97 1cr9 s ASP 52 N -0.48 6.25 0.41 4.50 -1.08 -0.38 -1.58 116.67 124.32 1cr9 s ASP 52 Ca -0.06 -0.65 0.20 0.00 -0.52 0.00 0.00 52.55 51.53 1cr9 s ASP 52 Cb -0.04 -2.29 0.87 0.00 -1.46 0.00 0.00 42.92 40.01 1cr9 s ASP 52 CO 0.01 -0.79 1.83 -0.65 0.52 0.00 0.00 175.17 176.09 1cr9 h PRO 52 N 8.90 0.00 -0.50 4.34 0.11 -1.78 0.14 132.00 143.20 1cr9 h PRO 52 Ca -0.26 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.91 1cr9 h PRO 52 Cb 1.10 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1cr9 h PRO 52 CO 0.90 0.30 0.19 1.05 -0.21 0.00 0.00 178.00 180.24 1cr9 h GLU 53 N 0.00 0.36 -0.04 1.05 4.11 -1.83 -3.16 114.58 115.06 1cr9 h GLU 53 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1cr9 h GLU 53 Cb 0.73 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1cr9 h GLU 53 CO 0.04 0.24 0.00 0.27 0.07 0.00 0.00 179.01 179.63 1cr9 n ASN 54 N -4.99 1.66 0.00 3.06 2.04 -1.16 -4.90 115.26 110.97 1cr9 n ASN 54 Ca 0.05 -1.42 0.00 0.00 -0.44 0.00 0.00 54.58 52.77 1cr9 n ASN 54 Cb 0.20 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 1cr9 n ASN 54 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cr9 n GLY 55 N 0.16 0.49 3.69 4.83 0.00 0.47 -4.98 105.19 109.85 1cr9 n GLY 55 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1cr9 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cr9 s ASN 56 N -2.41 6.73 0.30 1.61 0.02 -1.21 -4.74 114.94 115.24 1cr9 s ASN 56 Ca 0.00 2.31 0.03 0.00 -1.02 0.00 0.00 52.86 54.18 1cr9 s ASN 56 Cb 0.00 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.67 1cr9 s ASN 56 CO 0.00 -0.79 0.17 -0.94 0.02 0.00 0.00 177.10 175.55 1cr9 s SER 57 N 2.05 1.51 -0.04 -1.22 1.04 -1.26 -1.25 113.70 114.54 1cr9 s SER 57 Ca 0.69 -1.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.53 1cr9 s SER 57 Cb -0.36 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.19 1cr9 s SER 57 CO 0.29 -0.90 0.08 -1.61 0.98 0.00 0.00 173.24 172.08 1cr9 s GLU 58 N -3.80 0.05 0.12 4.02 2.02 -0.79 -5.01 118.70 115.31 1cr9 s GLU 58 Ca 0.36 0.21 0.08 0.00 0.02 0.00 0.00 54.97 55.64 1cr9 s GLU 58 Cb 0.05 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 1cr9 s GLU 58 CO 0.18 -0.10 -0.13 0.71 0.02 0.00 0.00 175.26 175.94 1cr9 s TYR 59 N 0.68 2.64 0.34 1.61 1.51 -1.26 -1.69 117.35 121.19 1cr9 s TYR 59 Ca -0.05 -0.21 -0.27 0.00 -1.01 0.00 0.00 57.07 55.52 1cr9 s TYR 59 Cb -0.07 -1.37 -0.09 0.00 -0.11 0.00 0.00 41.96 40.31 1cr9 s TYR 59 CO -0.03 0.43 1.17 0.00 -1.11 0.00 0.00 175.55 176.01 1cr9 s ALA 60 N -1.28 3.31 0.27 3.71 0.00 0.20 -4.84 121.76 123.14 1cr9 s ALA 60 Ca 0.21 1.00 -0.09 0.00 0.00 0.00 0.00 51.96 53.08 1cr9 s ALA 60 Cb -0.10 -3.38 0.42 0.00 0.00 0.00 0.00 23.12 20.06 1cr9 s ALA 60 CO 0.13 -0.42 1.51 -2.30 0.00 0.00 0.00 175.76 174.68 1cr9 n PRO 61 N 0.60 -0.10 0.27 0.00 -0.02 -1.26 -0.58 135.00 133.91 1cr9 n PRO 61 Ca 0.02 1.51 0.18 0.00 -2.02 0.00 0.00 63.50 63.19 1cr9 n PRO 61 Cb 0.45 -2.26 0.93 0.00 -0.02 0.00 0.00 33.50 32.61 1cr9 n PRO 61 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1cr9 h ARG 62 N 0.00 0.00 -0.01 -0.52 2.43 -1.95 -2.59 114.38 111.74 1cr9 h ARG 62 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1cr9 h ARG 62 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1cr9 h ARG 62 CO -1.00 0.00 -0.15 1.19 -1.51 0.00 0.00 179.97 178.51 1cr9 n PHE 63 N -2.81 0.00 -1.97 2.20 3.01 0.25 -4.86 117.46 113.28 1cr9 n PHE 63 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 1cr9 n PHE 63 Cb 0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.56 1cr9 n PHE 63 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1cr9 s GLN 64 N -1.45 4.24 0.00 -1.08 -0.21 -0.98 -1.41 119.66 118.77 1cr9 s GLN 64 Ca 0.14 2.35 0.00 0.00 0.02 0.00 0.00 55.36 57.87 1cr9 s GLN 64 Cb 0.11 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1cr9 s GLN 64 CO 0.27 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.38 1cr9 n GLY 65 N 2.27 3.02 0.13 3.09 0.00 -1.26 -4.72 105.19 107.72 1cr9 n GLY 65 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1cr9 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cr9 n LYS 66 N -1.60 0.66 -4.31 1.61 3.00 -0.75 -5.00 118.16 111.76 1cr9 n LYS 66 Ca 0.00 0.19 -0.32 0.00 -0.00 0.00 0.00 58.31 58.19 1cr9 n LYS 66 Cb 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 35.03 33.39 1cr9 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cr9 s ALA 67 N -2.52 3.18 -0.07 3.14 0.00 -0.50 -4.34 121.76 120.66 1cr9 s ALA 67 Ca -0.34 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1cr9 s ALA 67 Cb 0.09 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 22.02 1cr9 s ALA 67 CO 0.61 0.65 -0.05 0.99 0.00 0.00 0.00 175.76 177.96 1cr9 s THR 68 N -1.10 0.67 -0.14 0.00 2.01 0.45 -4.83 115.64 112.69 1cr9 s THR 68 Ca 0.20 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 1cr9 s THR 68 Cb -0.11 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1cr9 s THR 68 CO 0.11 0.28 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.20 1cr9 s MET 69 N 1.35 3.47 0.21 4.92 -1.94 -1.26 -0.64 119.30 125.42 1cr9 s MET 69 Ca -0.04 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.35 1cr9 s MET 69 Cb -0.14 -2.75 -0.05 0.00 2.01 0.00 0.00 34.83 33.90 1cr9 s MET 69 CO -0.03 0.26 0.07 0.95 -0.01 0.00 0.00 175.02 176.25 1cr9 s THR 70 N 0.28 0.50 -0.16 2.05 -4.23 -0.94 -4.90 115.64 108.24 1cr9 s THR 70 Ca -0.06 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.38 1cr9 s THR 70 Cb -0.15 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.35 1cr9 s THR 70 CO 0.04 -0.19 0.38 0.00 -0.54 0.00 0.00 174.62 174.31 1cr9 s ALA 71 N -3.79 -0.96 -0.42 3.99 0.00 -1.26 -0.45 121.76 118.87 1cr9 s ALA 71 Ca 0.32 1.41 -0.09 0.00 0.00 0.00 0.00 51.96 53.60 1cr9 s ALA 71 Cb 0.07 -0.97 0.08 0.00 0.00 0.00 0.00 23.12 22.30 1cr9 s ALA 71 CO 0.09 -0.37 0.26 0.34 0.00 0.00 0.00 175.76 176.08 1cr9 s ASP 72 N 1.68 5.63 0.00 0.00 -1.08 0.78 -4.75 116.67 118.93 1cr9 s ASP 72 Ca -0.07 -1.52 0.29 0.00 -0.52 0.00 0.00 52.55 50.73 1cr9 s ASP 72 Cb -0.10 -1.98 1.52 0.00 -1.46 0.00 0.00 42.92 40.90 1cr9 s ASP 72 CO -0.12 -0.54 2.00 0.35 0.52 0.00 0.00 175.17 177.39 1cr9 n THR 73 N 4.91 0.01 0.06 1.71 -2.24 -1.26 -1.31 114.28 116.16 1cr9 n THR 73 Ca -0.10 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 1cr9 n THR 73 Cb 0.43 -0.12 -0.14 0.00 -2.10 0.00 0.00 70.33 68.39 1cr9 n THR 73 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1cr9 h LEU 74 N 0.85 0.37 -3.06 3.22 3.38 -1.95 -3.34 115.31 114.79 1cr9 h LEU 74 Ca 0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1cr9 h LEU 74 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1cr9 h LEU 74 CO 0.00 1.44 0.00 -1.54 0.09 0.00 0.00 178.44 178.43 1cr9 n SER 75 N -3.44 3.82 -3.61 -0.43 3.41 -1.16 -4.99 113.62 107.21 1cr9 n SER 75 Ca -0.17 -2.41 -0.27 0.00 -0.26 0.00 0.00 58.87 55.77 1cr9 n SER 75 Cb 1.04 -0.44 0.03 0.00 -0.26 0.00 0.00 64.21 64.58 1cr9 n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1cr9 n ASN 76 N 0.50 -5.02 -4.13 4.04 4.05 -0.50 -4.97 115.26 109.22 1cr9 n ASN 76 Ca 0.19 -0.59 -0.24 0.00 0.45 0.00 0.00 54.58 54.40 1cr9 n ASN 76 Cb 0.71 -4.03 -0.15 0.00 1.23 0.00 0.00 39.78 37.53 1cr9 n ASN 76 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1cr9 s THR 77 N -3.20 1.28 -0.07 -0.44 2.01 -0.42 -4.01 115.64 110.78 1cr9 s THR 77 Ca 0.54 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1cr9 s THR 77 Cb -0.27 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1cr9 s THR 77 CO 0.67 0.37 -0.08 0.00 -0.69 0.00 0.00 174.62 174.88 1cr9 s ALA 78 N -0.21 2.93 0.08 7.40 0.00 -0.10 -0.15 121.76 131.72 1cr9 s ALA 78 Ca 0.02 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.17 1cr9 s ALA 78 Cb -0.08 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1cr9 s ALA 78 CO 0.00 0.57 -0.25 0.71 0.00 0.00 0.00 175.76 176.79 1cr9 s TYR 79 N -0.79 2.13 -0.25 0.00 1.51 0.41 -0.97 117.35 119.39 1cr9 s TYR 79 Ca 0.12 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1cr9 s TYR 79 Cb -0.11 -1.21 0.07 0.00 -0.11 0.00 0.00 41.96 40.60 1cr9 s TYR 79 CO 0.01 0.21 -0.00 -1.17 -1.11 0.00 0.00 175.55 173.49 1cr9 s LEU 80 N -1.63 2.52 -0.21 -1.29 2.96 -0.32 -2.22 118.68 118.48 1cr9 s LEU 80 Ca 0.11 -1.29 -0.10 0.00 -0.22 0.00 0.00 54.13 52.62 1cr9 s LEU 80 Cb -0.10 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 1cr9 s LEU 80 CO 0.04 -0.29 0.13 -1.58 -1.32 0.00 0.00 176.35 173.33 1cr9 s GLN 81 N 1.45 4.15 0.52 1.98 0.74 0.19 -0.89 119.66 127.81 1cr9 s GLN 81 Ca -0.01 -0.24 0.05 0.00 0.05 0.00 0.00 55.36 55.21 1cr9 s GLN 81 Cb -0.18 -3.44 0.02 0.00 1.10 0.00 0.00 33.01 30.50 1cr9 s GLN 81 CO -0.10 0.24 0.29 -0.51 -0.55 0.00 0.00 175.29 174.66 1cr9 s LEU 82 N 0.53 2.67 0.00 3.68 1.43 0.19 -0.41 118.68 126.76 1cr9 s LEU 82 Ca 0.08 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1cr9 s LEU 82 Cb -0.12 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1cr9 s LEU 82 CO -0.00 -0.98 0.00 -1.54 0.23 0.00 0.00 176.35 174.06 1cr9 n SER 82 N -1.59 0.00 -4.77 2.29 3.41 -0.79 -1.47 113.62 110.71 1cr9 n SER 82 Ca -0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.16 1cr9 n SER 82 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1cr9 n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cr9 s LEU 82 N -0.31 4.16 0.31 1.04 1.43 -0.82 -4.66 118.68 119.82 1cr9 s LEU 82 Ca 0.00 2.74 0.03 0.00 -1.03 0.00 0.00 54.13 55.87 1cr9 s LEU 82 Cb 0.00 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1cr9 s LEU 82 CO 0.00 -1.00 0.11 0.42 0.23 0.00 0.00 176.35 176.11 1cr9 s THR 83 N -1.25 0.64 0.56 5.49 -4.23 -1.26 -0.68 115.64 114.92 1cr9 s THR 83 Ca 0.59 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.38 1cr9 s THR 83 Cb -0.40 -2.59 0.39 0.00 1.34 0.00 0.00 72.50 71.24 1cr9 s THR 83 CO 0.51 0.00 1.99 0.28 -0.54 0.00 0.00 174.62 176.86 1cr9 h SER 84 N 2.17 0.00 0.41 3.99 0.02 -1.97 0.13 113.55 118.30 1cr9 h SER 84 Ca -0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1cr9 h SER 84 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1cr9 h SER 84 CO 0.60 0.00 -0.02 -0.08 -1.14 0.00 0.00 176.83 176.18 1cr9 h GLU 85 N 0.00 0.00 -0.00 3.45 4.57 -1.96 -2.42 114.58 118.22 1cr9 h GLU 85 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1cr9 h GLU 85 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1cr9 h GLU 85 CO -0.00 0.02 -0.23 -0.25 -1.18 0.00 0.00 179.01 177.37 1cr9 n ASP 86 N -3.21 0.24 -4.63 1.04 8.00 0.45 -4.83 116.55 113.61 1cr9 n ASP 86 Ca -0.02 0.14 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 1cr9 n ASP 86 Cb 0.18 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1cr9 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1cr9 s THR 87 N -2.99 3.39 0.04 -3.53 2.01 -0.91 -4.87 115.64 108.77 1cr9 s THR 87 Ca 0.13 0.44 -0.27 0.00 0.31 0.00 0.00 61.69 62.31 1cr9 s THR 87 Cb 0.18 -3.38 0.09 0.00 0.01 0.00 0.00 72.50 69.40 1cr9 s THR 87 CO 0.61 -0.15 1.21 0.00 -0.69 0.00 0.00 174.62 175.60 1cr9 s ALA 88 N 5.55 -2.20 -0.15 7.40 0.00 -0.87 -4.47 121.76 127.02 1cr9 s ALA 88 Ca 0.81 -0.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 1cr9 s ALA 88 Cb -0.31 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1cr9 s ALA 88 CO 0.33 -1.12 0.10 0.08 0.00 0.00 0.00 175.76 175.15 1cr9 s VAL 89 N -2.07 5.11 -0.12 0.00 1.01 0.51 -0.80 120.40 124.05 1cr9 s VAL 89 Ca 0.27 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1cr9 s VAL 89 Cb -0.01 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1cr9 s VAL 89 CO 0.01 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.15 1cr9 s TYR 90 N -0.28 2.69 0.02 5.22 1.51 0.08 -0.26 117.35 126.32 1cr9 s TYR 90 Ca 0.10 -0.89 0.06 0.00 -1.01 0.00 0.00 57.07 55.33 1cr9 s TYR 90 Cb -0.12 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1cr9 s TYR 90 CO 0.01 -0.34 -0.17 0.71 -1.11 0.00 0.00 175.55 174.65 1cr9 s TYR 91 N 0.40 2.60 0.19 2.71 1.51 0.37 -0.98 117.35 124.15 1cr9 s TYR 91 Ca -0.14 -0.23 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 1cr9 s TYR 91 Cb -0.17 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1cr9 s TYR 91 CO 0.06 0.23 0.02 0.00 -1.11 0.00 0.00 175.55 174.75 1cr9 s ASN 93 N -3.06 -0.26 0.04 0.00 3.84 -0.59 -1.61 114.94 113.29 1cr9 s ASN 93 Ca 0.28 0.51 0.02 0.00 0.21 0.00 0.00 52.86 53.89 1cr9 s ASN 93 Cb -0.09 0.48 -0.04 0.00 -0.55 0.00 0.00 41.25 41.05 1cr9 s ASN 93 CO 0.19 -0.11 0.06 0.00 -2.79 0.00 0.00 177.10 174.45 1cr9 s ALA 94 N 0.51 3.49 -0.06 1.71 0.00 -0.20 -1.14 121.76 126.08 1cr9 s ALA 94 Ca -0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1cr9 s ALA 94 Cb -0.05 -1.43 -0.18 0.00 0.00 0.00 0.00 23.12 21.46 1cr9 s ALA 94 CO -0.03 0.71 3.29 -3.47 0.00 0.00 0.00 175.76 176.26 1cr9 n ASP 95 N 0.82 5.43 -3.65 0.00 2.03 -0.54 -3.49 116.55 117.15 1cr9 n ASP 95 Ca -0.11 -2.57 -0.19 0.00 0.52 0.00 0.00 54.79 52.44 1cr9 n ASP 95 Cb 0.52 -1.35 -0.16 0.00 -0.72 0.00 0.00 41.12 39.40 1cr9 n ASP 95 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1cr9 s LEU 96 N -0.31 0.04 -1.22 -2.67 2.96 -1.26 -4.80 118.68 111.43 1cr9 s LEU 96 Ca 0.57 0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 54.45 1cr9 s LEU 96 Cb 0.29 0.08 0.13 0.00 0.50 0.00 0.00 46.19 47.18 1cr9 s LEU 96 CO -0.03 -0.26 0.42 1.41 -1.32 0.00 0.00 176.35 176.57 1cr9 n HIS 97 N 5.31 -1.58 -3.74 5.38 8.25 -1.26 -1.62 115.22 125.96 1cr9 n HIS 97 Ca -0.04 0.45 -0.28 0.00 -0.26 0.00 0.00 57.72 57.59 1cr9 n HIS 97 Cb 0.50 -1.97 0.03 0.00 1.12 0.00 0.00 29.99 29.66 1cr9 n HIS 97 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1cr9 n ASP 98 N -2.17 -3.51 -4.78 0.41 2.03 -1.26 -4.46 116.55 102.82 1cr9 n ASP 98 Ca 0.05 -0.98 -0.38 0.00 0.52 0.00 0.00 54.79 53.99 1cr9 n ASP 98 Cb 0.49 -3.42 -0.06 0.00 -0.72 0.00 0.00 41.12 37.41 1cr9 n ASP 98 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1cr9 s TYR 99 N -3.62 3.67 0.19 -0.67 2.02 -0.64 -0.28 117.35 118.02 1cr9 s TYR 99 Ca 0.29 1.07 0.09 0.00 -0.37 0.00 0.00 57.07 58.15 1cr9 s TYR 99 Cb -0.10 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 1cr9 s TYR 99 CO 0.86 0.41 -0.17 -1.58 -1.57 0.00 0.00 175.55 173.49 1cr9 s TRP 100 N -0.31 1.85 0.72 2.71 0.52 -0.00 -1.03 118.94 123.39 1cr9 s TRP 100 Ca 0.27 -0.48 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 1cr9 s TRP 100 Cb -0.17 -0.89 0.11 0.00 -1.15 0.00 0.00 33.47 31.38 1cr9 s TRP 100 CO 0.15 0.38 1.00 0.20 0.02 0.00 0.00 176.95 178.70 1cr9 s GLY 101 N -2.95 1.76 0.00 0.98 0.00 -0.64 -1.71 107.32 104.77 1cr9 s GLY 101 Ca 0.19 -1.53 0.27 0.00 0.00 0.00 0.00 44.72 43.66 1cr9 s GLY 101 CO 0.08 -1.00 1.73 0.61 0.00 0.00 0.00 173.10 174.52 1cr9 n GLN 102 N -2.87 0.07 0.00 2.90 0.00 -1.23 -4.79 117.38 111.46 1cr9 n GLN 102 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.11 1cr9 n GLN 102 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1cr9 n GLN 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1cr9 n GLY 103 N 1.48 1.37 3.06 2.61 0.00 -1.26 -5.03 105.19 107.41 1cr9 n GLY 103 Ca 0.07 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1cr9 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cr9 s THR 104 N -2.00 1.62 -0.25 2.61 2.01 -0.15 -4.86 115.64 114.61 1cr9 s THR 104 Ca 0.00 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.10 1cr9 s THR 104 Cb 0.00 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1cr9 s THR 104 CO 0.00 0.46 0.64 -0.89 -0.69 0.00 0.00 174.62 174.15 1cr9 s THR 105 N 1.16 4.98 -0.21 -0.82 2.01 -1.26 -0.74 115.64 120.75 1cr9 s THR 105 Ca -0.02 1.16 -0.05 0.00 0.31 0.00 0.00 61.69 63.09 1cr9 s THR 105 Cb -0.14 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1cr9 s THR 105 CO -0.05 0.03 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.67 1cr9 s LEU 106 N 2.49 3.12 -0.22 4.42 2.96 0.02 -0.59 118.68 130.87 1cr9 s LEU 106 Ca 0.27 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1cr9 s LEU 106 Cb -0.15 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1cr9 s LEU 106 CO 0.08 0.03 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.18 1cr9 s THR 107 N 1.20 2.99 -0.44 3.68 2.01 0.47 -2.05 115.64 123.49 1cr9 s THR 107 Ca 0.03 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 1cr9 s THR 107 Cb -0.15 -2.39 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1cr9 s THR 107 CO 0.00 0.38 0.54 -0.69 -0.69 0.00 0.00 174.62 174.17 1cr9 s VAL 108 N 1.40 4.96 -0.02 3.82 1.01 -1.26 -1.69 120.40 128.62 1cr9 s VAL 108 Ca 0.04 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1cr9 s VAL 108 Cb -0.15 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.17 1cr9 s VAL 108 CO -0.05 -0.55 0.73 -0.55 0.00 0.00 0.00 175.10 174.67 1cr9 s SER 109 N 2.03 -0.57 -0.05 3.32 0.15 -0.55 -4.76 113.70 113.26 1cr9 s SER 109 Ca 0.16 0.45 0.19 0.00 0.70 0.00 0.00 55.95 57.46 1cr9 s SER 109 Cb -0.16 0.50 0.64 0.00 -1.71 0.00 0.00 66.02 65.29 1cr9 s SER 109 CO 0.15 -0.65 1.55 -1.54 1.20 0.00 0.00 173.24 173.95 1cr9 n SER 110 N 0.51 4.20 -4.85 5.45 3.41 -1.26 -3.93 113.62 117.14 1cr9 n SER 110 Ca -0.16 -2.22 -0.31 0.00 -0.26 0.00 0.00 58.87 55.91 1cr9 n SER 110 Cb 0.59 -0.50 0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1cr9 n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cr9 s ALA 111 N -1.42 2.93 0.18 7.33 0.00 -1.26 -5.04 121.76 124.47 1cr9 s ALA 111 Ca 0.47 -0.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 1cr9 s ALA 111 Cb 0.28 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.20 1cr9 s ALA 111 CO 0.27 -0.90 0.61 0.15 0.00 0.00 0.00 175.76 175.89 1cr9 s LYS 112 N -5.09 4.06 0.15 0.00 1.02 -1.26 -5.03 119.74 113.59 1cr9 s LYS 112 Ca 0.56 0.60 -0.31 0.00 0.02 0.00 0.00 55.97 56.84 1cr9 s LYS 112 Cb -0.12 -2.89 -0.10 0.00 -0.52 0.00 0.00 37.83 34.20 1cr9 s LYS 112 CO 0.54 0.43 1.55 0.99 -0.92 0.00 0.00 175.35 177.95 1cr9 s THR 113 N -1.51 2.73 -0.06 2.17 2.01 -1.26 -4.74 115.64 114.97 1cr9 s THR 113 Ca 0.40 0.50 -0.00 0.00 0.31 0.00 0.00 61.69 62.90 1cr9 s THR 113 Cb -0.15 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.06 1cr9 s THR 113 CO 0.20 0.04 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.25 1cr9 s THR 114 N 1.24 0.47 0.46 -0.82 2.01 -0.27 -4.95 115.64 113.78 1cr9 s THR 114 Ca 0.70 -0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.47 1cr9 s THR 114 Cb -0.43 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 1cr9 s THR 114 CO 0.31 0.24 1.05 0.00 -0.69 0.00 0.00 174.62 175.53 1cr9 s ALA 115 N 1.45 2.94 0.58 7.40 0.00 -1.26 -0.98 121.76 131.89 1cr9 s ALA 115 Ca -0.03 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.44 1cr9 s ALA 115 Cb -0.13 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1cr9 s ALA 115 CO -0.03 -0.30 1.02 -1.25 0.00 0.00 0.00 175.76 175.20 1cr9 s PRO 116 N -2.98 3.58 -0.23 0.00 0.04 -1.26 -4.49 135.00 129.66 1cr9 s PRO 116 Ca 0.64 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 1cr9 s PRO 116 Cb -0.19 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1cr9 s PRO 116 CO 0.23 -0.58 0.08 -1.12 0.04 0.00 0.00 177.00 175.64 1cr9 s SER 117 N -3.28 5.40 -0.16 6.66 0.01 -0.78 -4.92 113.70 116.62 1cr9 s SER 117 Ca 0.59 -0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.71 1cr9 s SER 117 Cb -0.12 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1cr9 s SER 117 CO 0.40 0.04 0.06 -0.69 0.41 0.00 0.00 173.24 173.47 1cr9 s VAL 118 N 1.16 4.82 -0.08 3.43 1.01 -1.26 -1.30 120.40 128.18 1cr9 s VAL 118 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1cr9 s VAL 118 Cb -0.14 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1cr9 s VAL 118 CO 0.04 0.50 -0.14 -0.31 0.00 0.00 0.00 175.10 175.18 1cr9 s TYR 119 N 0.06 1.71 0.18 5.22 2.02 0.42 -4.99 117.35 121.97 1cr9 s TYR 119 Ca 0.06 -0.68 -0.30 0.00 -0.37 0.00 0.00 57.07 55.78 1cr9 s TYR 119 Cb -0.12 -1.23 -0.08 0.00 -0.40 0.00 0.00 41.96 40.14 1cr9 s TYR 119 CO 0.01 -0.34 1.06 -1.25 -1.57 0.00 0.00 175.55 173.46 1cr9 s PRO 120 N 0.70 4.65 -0.37 -1.71 0.04 -1.26 -0.59 135.00 136.46 1cr9 s PRO 120 Ca -0.13 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1cr9 s PRO 120 Cb -0.16 -3.29 0.10 0.00 0.04 0.00 0.00 34.50 31.20 1cr9 s PRO 120 CO 0.03 0.16 0.10 -0.51 0.04 0.00 0.00 177.00 176.83 1cr9 s LEU 121 N -0.49 4.86 0.04 -3.56 1.43 0.59 -4.93 118.68 116.61 1cr9 s LEU 121 Ca 0.48 -2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 51.25 1cr9 s LEU 121 Cb -0.28 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 1cr9 s LEU 121 CO 0.34 -0.41 0.41 0.00 0.23 0.00 0.00 176.35 176.93 1cr9 s ALA 122 N 0.87 3.70 0.52 4.21 0.00 -1.26 -1.26 121.76 128.53 1cr9 s ALA 122 Ca 0.11 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.60 1cr9 s ALA 122 Cb -0.20 -2.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 1cr9 s ALA 122 CO -0.07 0.51 1.09 -1.25 0.00 0.00 0.00 175.76 176.05 1cr9 s PRO 123 N -1.42 3.55 0.33 0.00 0.04 -1.26 -4.90 135.00 131.34 1cr9 s PRO 123 Ca 0.28 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.92 1cr9 s PRO 123 Cb -0.16 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1cr9 s PRO 123 CO 0.15 -0.67 0.12 0.14 0.04 0.00 0.00 177.00 176.78 1cr9 s VAL 124 N -1.84 3.01 -1.80 -0.36 -7.23 -1.26 -4.66 120.40 106.26 1cr9 s VAL 124 Ca 0.70 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1cr9 s VAL 124 Cb -0.21 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.78 1cr9 s VAL 124 CO 0.24 -0.20 0.00 0.00 -0.31 0.00 0.00 175.10 174.83 1cr9 n GLY 126 N -0.49 0.97 3.65 0.00 0.00 -1.26 -4.95 105.19 103.11 1cr9 n GLY 126 Ca -0.19 -0.36 -0.48 0.00 0.00 0.00 0.00 46.02 45.00 1cr9 n GLY 126 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cr9 n ASP 127 N -0.04 2.78 -3.76 1.61 8.00 -0.78 -4.99 116.55 119.37 1cr9 n ASP 127 Ca -0.08 1.08 -0.11 0.00 0.71 0.00 0.00 54.79 56.39 1cr9 n ASP 127 Cb 0.35 -1.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.01 1cr9 n ASP 127 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1cr9 s THR 128 N 1.14 0.09 -0.11 -3.53 -4.23 -1.26 -4.72 115.64 103.02 1cr9 s THR 128 Ca 0.82 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1cr9 s THR 128 Cb -0.75 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.11 1cr9 s THR 128 CO 0.42 -0.41 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.11 1cr9 s THR 129 N -2.82 1.06 0.00 3.99 2.01 -0.57 -4.94 115.64 114.37 1cr9 s THR 129 Ca -0.03 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1cr9 s THR 129 Cb 0.00 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.45 1cr9 s THR 129 CO -0.05 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1cr9 n GLY 130 N 4.77 2.36 1.89 4.40 0.00 -1.26 -1.47 105.19 115.89 1cr9 n GLY 130 Ca -0.14 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1cr9 n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cr9 n SER 131 N 5.57 4.83 -4.30 1.61 3.41 -1.26 -5.01 113.62 118.47 1cr9 n SER 131 Ca 0.00 -3.77 -0.21 0.00 -0.26 0.00 0.00 58.87 54.63 1cr9 n SER 131 Cb 0.00 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.40 1cr9 n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1cr9 s SER 132 N -3.34 2.46 -0.01 4.04 1.04 -0.54 -0.97 113.70 116.38 1cr9 s SER 132 Ca 0.51 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 56.18 1cr9 s SER 132 Cb 0.42 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1cr9 s SER 132 CO 0.02 -0.05 -0.19 0.54 0.98 0.00 0.00 173.24 174.54 1cr9 s VAL 133 N -1.95 2.71 -0.18 5.02 0.11 0.48 -1.51 120.40 125.09 1cr9 s VAL 133 Ca 0.12 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1cr9 s VAL 133 Cb -0.06 -2.07 -0.02 0.00 -1.53 0.00 0.00 36.38 32.70 1cr9 s VAL 133 CO 0.05 0.49 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.39 1cr9 s THR 134 N -0.78 3.81 0.29 5.04 2.01 -1.26 -1.42 115.64 123.33 1cr9 s THR 134 Ca 0.12 -0.37 0.09 0.00 0.31 0.00 0.00 61.69 61.84 1cr9 s THR 134 Cb -0.10 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1cr9 s THR 134 CO 0.02 0.46 0.01 -0.76 -0.69 0.00 0.00 174.62 173.66 1cr9 s LEU 135 N 0.70 3.12 0.21 4.42 1.43 0.05 -4.48 118.68 124.13 1cr9 s LEU 135 Ca -0.02 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1cr9 s LEU 135 Cb -0.14 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1cr9 s LEU 135 CO 0.02 -0.08 0.19 -0.83 0.23 0.00 0.00 176.35 175.88 1cr9 s GLY 136 N -3.69 1.33 -0.14 -3.19 0.00 -0.39 -1.19 107.32 100.04 1cr9 s GLY 136 Ca 0.33 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 1cr9 s GLY 136 CO 0.20 -1.28 0.32 0.00 0.00 0.00 0.00 173.10 172.33 1cr9 s LEU 138 N 1.89 3.62 -0.37 0.00 2.96 0.25 -1.20 118.68 125.82 1cr9 s LEU 138 Ca -0.05 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1cr9 s LEU 138 Cb -0.11 -1.97 0.09 0.00 0.50 0.00 0.00 46.19 44.70 1cr9 s LEU 138 CO -0.10 0.01 0.14 -0.69 -1.32 0.00 0.00 176.35 174.39 1cr9 s VAL 139 N 1.38 3.27 -0.11 1.68 1.01 0.47 -0.44 120.40 127.66 1cr9 s VAL 139 Ca 0.06 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.29 1cr9 s VAL 139 Cb -0.15 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1cr9 s VAL 139 CO 0.04 -0.48 -0.19 -0.75 0.00 0.00 0.00 175.10 173.72 1cr9 s LYS 140 N 1.20 3.18 -0.35 2.72 2.20 -0.42 -0.55 119.74 127.72 1cr9 s LYS 140 Ca 0.04 -0.80 -0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1cr9 s LYS 140 Cb -0.22 -2.44 -0.00 0.00 -1.51 0.00 0.00 37.83 33.67 1cr9 s LYS 140 CO -0.03 0.20 0.29 0.41 -0.36 0.00 0.00 175.35 175.87 1cr9 n GLY 141 N 3.51 0.21 3.60 5.54 0.00 -0.19 -1.87 105.19 115.98 1cr9 n GLY 141 Ca -0.19 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1cr9 n GLY 141 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cr9 s TYR 142 N -3.11 2.53 -0.27 1.61 -0.85 -0.90 -4.37 117.35 111.99 1cr9 s TYR 142 Ca 0.01 -0.36 -0.23 0.00 -0.52 0.00 0.00 57.07 55.96 1cr9 s TYR 142 Cb -0.00 -1.31 0.08 0.00 0.38 0.00 0.00 41.96 41.10 1cr9 s TYR 142 CO 0.22 0.56 0.74 0.12 -1.52 0.00 0.00 175.55 175.67 1cr9 s PHE 143 N -2.47 -0.81 0.00 -3.49 5.36 -0.15 -0.80 117.98 115.62 1cr9 s PHE 143 Ca 0.33 1.91 0.00 0.00 -0.96 0.00 0.00 56.93 58.21 1cr9 s PHE 143 Cb -0.03 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 1cr9 s PHE 143 CO 0.19 -0.39 0.00 -0.35 -1.46 0.00 0.00 175.22 173.20 1cr9 n PRO 144 N 2.93 0.82 -1.48 10.12 -0.04 -1.26 -1.12 135.00 144.97 1cr9 n PRO 144 Ca -0.15 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 1cr9 n PRO 144 Cb 0.56 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.11 1cr9 n PRO 144 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1cr9 s GLU 145 N -1.81 2.00 0.56 0.54 0.41 -1.26 -4.77 118.70 114.37 1cr9 s GLU 145 Ca 0.00 0.71 0.09 0.00 -0.41 0.00 0.00 54.97 55.36 1cr9 s GLU 145 Cb 0.00 -1.90 0.08 0.00 -1.78 0.00 0.00 34.13 30.53 1cr9 s GLU 145 CO 0.00 -1.70 0.78 -1.25 -0.49 0.00 0.00 175.26 172.60 1cr9 s PRO 146 N -5.10 2.34 -0.06 0.39 0.04 -1.26 -4.82 135.00 126.52 1cr9 s PRO 146 Ca 0.61 -1.57 0.03 0.00 0.04 0.00 0.00 61.00 60.11 1cr9 s PRO 146 Cb -0.15 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1cr9 s PRO 146 CO 0.55 -0.82 -0.17 0.08 0.04 0.00 0.00 177.00 176.68 1cr9 s VAL 147 N -2.65 1.43 -0.22 -0.36 1.01 -1.26 -4.27 120.40 114.08 1cr9 s VAL 147 Ca 0.61 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 1cr9 s VAL 147 Cb -0.06 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1cr9 s VAL 147 CO 0.39 0.42 0.13 -0.89 0.00 0.00 0.00 175.10 175.14 1cr9 s THR 148 N 0.34 5.21 -0.10 3.92 2.01 0.12 -4.96 115.64 122.18 1cr9 s THR 148 Ca -0.11 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1cr9 s THR 148 Cb -0.14 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1cr9 s THR 148 CO 0.04 0.39 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.98 1cr9 s LEU 149 N 0.77 1.80 0.20 4.42 0.20 -1.26 -0.67 118.68 124.15 1cr9 s LEU 149 Ca 0.07 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.49 1cr9 s LEU 149 Cb -0.13 -1.13 -0.05 0.00 -0.43 0.00 0.00 46.19 44.45 1cr9 s LEU 149 CO 0.02 0.04 -0.05 0.42 -0.29 0.00 0.00 176.35 176.49 1cr9 s THR 150 N 0.83 1.16 -0.15 3.68 -4.23 0.20 -4.98 115.64 112.15 1cr9 s THR 150 Ca -0.10 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 1cr9 s THR 150 Cb -0.16 -2.16 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 1cr9 s THR 150 CO 0.01 -0.49 -0.17 0.26 -0.54 0.00 0.00 174.62 173.69 1cr9 s TRP 151 N -3.34 2.75 -1.33 3.99 0.52 -1.26 -0.42 118.94 119.86 1cr9 s TRP 151 Ca 0.24 -1.05 -0.02 0.00 0.02 0.00 0.00 56.10 55.30 1cr9 s TRP 151 Cb 0.04 -1.86 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1cr9 s TRP 151 CO 0.06 -0.47 0.74 0.09 0.02 0.00 0.00 176.95 177.40 1cr9 n ASN 152 N 3.97 -1.61 -1.03 2.95 4.13 -0.48 -1.16 115.26 122.03 1cr9 n ASN 152 Ca -0.19 -0.80 -0.13 0.00 1.68 0.00 0.00 54.58 55.14 1cr9 n ASN 152 Cb 0.52 -4.10 -0.05 0.00 -1.54 0.00 0.00 39.78 34.61 1cr9 n ASN 152 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1cr9 n SER 153 N -3.04 -5.25 0.00 6.41 7.64 -1.26 -2.08 113.62 116.04 1cr9 n SER 153 Ca -0.26 0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1cr9 n SER 153 Cb 0.66 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.76 1cr9 n SER 153 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cr9 n GLY 154 N 0.08 2.03 0.22 0.23 0.00 -0.31 -4.96 105.19 102.48 1cr9 n GLY 154 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1cr9 n GLY 154 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cr9 h SER 155 N 0.00 0.53 -1.61 1.61 4.64 -1.44 -3.35 113.55 113.93 1cr9 h SER 155 Ca 0.00 -0.22 -0.65 0.00 -0.47 0.00 0.00 61.79 60.45 1cr9 h SER 155 Cb 0.00 -0.15 -0.13 0.00 -0.31 0.00 0.00 62.40 61.81 1cr9 h SER 155 CO 0.00 0.86 1.32 -0.22 -0.87 0.00 0.00 176.83 177.91 1cr9 s LEU 156 N -8.50 4.16 -0.16 5.97 0.20 -1.09 -4.73 118.68 114.53 1cr9 s LEU 156 Ca -0.07 -1.83 0.11 0.00 0.69 0.00 0.00 54.13 53.03 1cr9 s LEU 156 Cb 0.13 -2.50 -0.18 0.00 -0.43 0.00 0.00 46.19 43.21 1cr9 s LEU 156 CO 0.81 -1.28 0.01 -1.54 -0.29 0.00 0.00 176.35 174.06 1cr9 n SER 157 N 7.84 1.50 -4.79 3.68 3.41 -1.26 -4.33 113.62 119.67 1cr9 n SER 157 Ca 0.31 -0.02 -0.36 0.00 -0.26 0.00 0.00 58.87 58.55 1cr9 n SER 157 Cb 0.49 0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 65.04 1cr9 n SER 157 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1cr9 s SER 158 N -5.03 7.21 -0.30 4.04 0.01 -1.26 -4.00 113.70 114.37 1cr9 s SER 158 Ca -0.11 1.75 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1cr9 s SER 158 Cb 0.05 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1cr9 s SER 158 CO 0.59 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1cr9 n GLY 159 N 0.31 0.60 3.82 3.44 0.00 -1.26 -4.71 105.19 107.38 1cr9 n GLY 159 Ca 0.03 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 1cr9 n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cr9 s VAL 160 N -2.08 5.36 -0.20 1.61 1.01 -1.26 -0.39 120.40 124.47 1cr9 s VAL 160 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1cr9 s VAL 160 Cb 0.00 -3.36 0.06 0.00 0.00 0.00 0.00 36.38 33.08 1cr9 s VAL 160 CO 0.00 0.57 0.02 -1.00 0.00 0.00 0.00 175.10 174.70 1cr9 s HIS 161 N -0.67 1.20 -0.29 5.22 3.76 0.61 -4.98 115.29 120.14 1cr9 s HIS 161 Ca 0.13 -0.95 -0.08 0.00 -0.15 0.00 0.00 55.06 54.00 1cr9 s HIS 161 Cb -0.12 -1.09 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 1cr9 s HIS 161 CO 0.02 -0.62 0.11 0.99 -0.85 0.00 0.00 174.74 174.40 1cr9 s THR 162 N 1.80 4.41 -0.00 1.30 2.01 -1.26 -0.80 115.64 123.09 1cr9 s THR 162 Ca -0.01 -0.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 1cr9 s THR 162 Cb -0.17 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1cr9 s THR 162 CO -0.08 0.15 0.80 -0.36 -0.69 0.00 0.00 174.62 174.45 1cr9 s PHE 163 N 1.59 3.67 0.41 4.92 0.08 -0.37 -5.02 117.98 123.26 1cr9 s PHE 163 Ca 0.05 1.47 -0.23 0.00 0.12 0.00 0.00 56.93 58.33 1cr9 s PHE 163 Cb -0.16 -2.90 -0.13 0.00 -0.57 0.00 0.00 43.02 39.26 1cr9 s PHE 163 CO 0.05 0.14 0.62 -2.30 -0.10 0.00 0.00 175.22 173.63 1cr9 n PRO 164 N 3.41 0.67 -2.27 0.24 -0.02 -1.26 -4.16 135.00 131.60 1cr9 n PRO 164 Ca 0.00 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 1cr9 n PRO 164 Cb 0.51 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 1cr9 n PRO 164 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cr9 s ALA 165 N -1.41 2.94 -0.11 3.55 0.00 -1.26 -4.81 121.76 120.66 1cr9 s ALA 165 Ca 0.63 0.90 0.03 0.00 0.00 0.00 0.00 51.96 53.53 1cr9 s ALA 165 Cb -0.62 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1cr9 s ALA 165 CO 0.58 -0.65 -0.23 0.08 0.00 0.00 0.00 175.76 175.54 1cr9 s VAL 166 N -1.59 2.02 -0.04 0.00 1.01 -0.32 -4.93 120.40 116.56 1cr9 s VAL 166 Ca 0.65 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 1cr9 s VAL 166 Cb -0.27 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1cr9 s VAL 166 CO 0.33 0.55 0.75 -0.22 0.00 0.00 0.00 175.10 176.51 1cr9 s LEU 167 N 0.53 4.35 -0.23 3.92 1.98 -1.26 -1.95 118.68 126.02 1cr9 s LEU 167 Ca -0.14 1.31 -0.03 0.00 -2.89 0.00 0.00 54.13 52.37 1cr9 s LEU 167 Cb -0.17 -3.18 0.12 0.00 0.66 0.00 0.00 46.19 43.62 1cr9 s LEU 167 CO 0.05 -0.11 0.33 -1.58 -1.89 0.00 0.00 176.35 173.14 1cr9 s GLN 168 N 0.68 0.29 -1.24 1.98 -0.44 -0.11 -4.95 119.66 115.87 1cr9 s GLN 168 Ca 0.40 0.46 -0.00 0.00 -2.50 0.00 0.00 55.36 53.72 1cr9 s GLN 168 Cb -0.19 -0.65 0.00 0.00 -1.64 0.00 0.00 33.01 30.53 1cr9 s GLN 168 CO 0.20 -0.62 0.89 0.43 0.50 0.00 0.00 175.29 176.70 1cr9 n SER 169 N 5.35 -1.77 0.00 6.67 7.64 -1.26 -2.40 113.62 127.85 1cr9 n SER 169 Ca -0.04 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1cr9 n SER 169 Cb 0.50 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 1cr9 n SER 169 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1cr9 n ASP 170 N -3.10 -3.77 -4.08 6.43 8.00 -1.26 -4.98 116.55 113.79 1cr9 n ASP 170 Ca -0.29 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.01 1cr9 n ASP 170 Cb 0.67 -2.18 -0.15 0.00 -0.02 0.00 0.00 41.12 39.45 1cr9 n ASP 170 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1cr9 s LEU 171 N 0.00 2.04 0.16 0.64 1.43 -1.01 -4.75 118.68 117.19 1cr9 s LEU 171 Ca 0.00 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1cr9 s LEU 171 Cb 0.00 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 1cr9 s LEU 171 CO 0.00 0.13 0.33 -0.31 0.23 0.00 0.00 176.35 176.73 1cr9 s TYR 172 N -0.34 3.49 -0.02 0.29 1.51 0.02 -0.93 117.35 121.36 1cr9 s TYR 172 Ca 0.04 0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 1cr9 s TYR 172 Cb -0.05 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1cr9 s TYR 172 CO -0.00 0.46 -0.08 0.99 -1.11 0.00 0.00 175.55 175.80 1cr9 s THR 173 N -1.78 0.73 0.02 -0.71 2.01 -0.82 -1.03 115.64 114.07 1cr9 s THR 173 Ca 0.36 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1cr9 s THR 173 Cb -0.11 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 1cr9 s THR 173 CO 0.29 0.23 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.19 1cr9 s LEU 174 N 0.20 2.21 0.05 4.42 0.20 0.29 -1.18 118.68 124.87 1cr9 s LEU 174 Ca -0.03 -0.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.34 1cr9 s LEU 174 Cb -0.08 -0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.64 1cr9 s LEU 174 CO 0.00 -0.22 -0.03 -0.94 -0.29 0.00 0.00 176.35 174.86 1cr9 s SER 175 N -1.29 0.50 -0.03 3.68 1.04 -1.26 -0.39 113.70 115.95 1cr9 s SER 175 Ca -0.12 -0.86 -0.05 0.00 0.48 0.00 0.00 55.95 55.40 1cr9 s SER 175 Cb -0.09 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1cr9 s SER 175 CO -0.00 -0.50 0.13 -0.55 0.98 0.00 0.00 173.24 173.29 1cr9 s SER 176 N -2.53 -0.06 0.07 7.02 0.15 -0.34 -1.23 113.70 116.78 1cr9 s SER 176 Ca 0.01 0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.79 1cr9 s SER 176 Cb 0.03 0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1cr9 s SER 176 CO -0.07 -0.17 -0.19 -0.94 1.20 0.00 0.00 173.24 173.07 1cr9 s SER 177 N -0.52 2.25 -0.04 5.45 1.04 0.02 -0.70 113.70 121.20 1cr9 s SER 177 Ca -0.06 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.80 1cr9 s SER 177 Cb -0.04 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1cr9 s SER 177 CO 0.01 0.06 -0.10 0.54 0.98 0.00 0.00 173.24 174.73 1cr9 s VAL 178 N -1.03 0.87 -0.19 5.02 0.11 -0.33 -0.28 120.40 124.56 1cr9 s VAL 178 Ca 0.05 -0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1cr9 s VAL 178 Cb -0.09 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1cr9 s VAL 178 CO 0.03 0.28 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.14 1cr9 s THR 179 N 0.37 3.52 0.17 5.04 2.01 0.48 -0.77 115.64 126.47 1cr9 s THR 179 Ca -0.07 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.53 1cr9 s THR 179 Cb -0.11 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1cr9 s THR 179 CO 0.01 0.46 -0.13 0.68 -0.69 0.00 0.00 174.62 174.94 1cr9 s VAL 180 N 0.97 1.52 0.51 3.82 -7.23 -0.51 -4.65 120.40 114.83 1cr9 s VAL 180 Ca -0.00 -2.07 -0.22 0.00 -1.81 0.00 0.00 61.98 57.87 1cr9 s VAL 180 Cb -0.15 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 1cr9 s VAL 180 CO 0.01 -0.59 1.25 0.42 -0.31 0.00 0.00 175.10 175.87 1cr9 s THR 181 N -2.88 2.63 -1.50 5.32 -4.23 -1.26 -0.38 115.64 113.33 1cr9 s THR 181 Ca 0.18 0.46 0.10 0.00 -1.18 0.00 0.00 61.69 61.25 1cr9 s THR 181 Cb -0.01 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.78 1cr9 s THR 181 CO 0.04 -0.01 1.17 -1.54 -0.54 0.00 0.00 174.62 173.74 1cr9 n SER 182 N -0.80 0.00 0.11 3.99 3.41 -0.15 -1.89 113.62 118.30 1cr9 n SER 182 Ca 0.09 0.09 -0.02 0.00 -0.26 0.00 0.00 58.87 58.77 1cr9 n SER 182 Cb 0.47 -0.25 0.04 0.00 -0.26 0.00 0.00 64.21 64.21 1cr9 n SER 182 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1cr9 h SER 183 N 0.00 0.00 0.01 4.04 0.02 -1.90 -3.34 113.55 112.38 1cr9 h SER 183 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cr9 h SER 183 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1cr9 h SER 183 CO 0.00 0.73 -0.01 0.74 -1.14 0.00 0.00 176.83 177.15 1cr9 h THR 184 N 0.00 1.50 -4.12 -2.27 2.02 -1.75 -3.43 112.91 104.87 1cr9 h THR 184 Ca -0.01 -1.62 -0.69 0.00 0.77 0.00 0.00 66.41 64.86 1cr9 h THR 184 Cb 1.41 2.58 -0.24 0.00 -1.74 0.00 0.00 68.15 70.16 1cr9 h THR 184 CO 0.09 0.41 -0.81 0.86 0.37 0.00 0.00 175.52 176.45 1cr9 s TRP 185 N -3.37 2.58 -2.02 3.16 -0.00 -1.25 0.74 118.94 118.77 1cr9 s TRP 185 Ca -0.17 -0.25 0.11 0.00 -0.00 0.00 0.00 56.10 55.79 1cr9 s TRP 185 Cb -0.00 -1.54 0.33 0.00 -0.00 0.00 0.00 33.47 32.25 1cr9 s TRP 185 CO 0.66 0.17 1.27 -0.35 -0.00 0.00 0.00 176.95 178.70 1cr9 n PRO 186 N 2.05 1.76 -0.23 5.86 -0.04 -1.26 -4.81 135.00 138.33 1cr9 n PRO 186 Ca -0.17 -1.18 -0.02 0.00 -0.04 0.00 0.00 63.50 62.10 1cr9 n PRO 186 Cb 0.52 -1.27 0.10 0.00 -0.04 0.00 0.00 33.50 32.81 1cr9 n PRO 186 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1cr9 h SER 187 N 1.95 0.56 -3.27 3.54 0.02 -1.79 -3.40 113.55 111.16 1cr9 h SER 187 Ca 0.00 0.03 -0.66 0.00 -0.84 0.00 0.00 61.79 60.32 1cr9 h SER 187 Cb 0.44 -0.08 -0.12 0.00 0.14 0.00 0.00 62.40 62.78 1cr9 h SER 187 CO 0.00 0.36 -0.62 -1.10 -1.14 0.00 0.00 176.83 174.33 1cr9 s GLN 188 N -6.09 2.87 0.30 3.45 -0.21 0.23 -5.09 119.66 115.12 1cr9 s GLN 188 Ca -0.13 -0.57 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 1cr9 s GLN 188 Cb 0.16 -2.73 -0.10 0.00 1.00 0.00 0.00 33.01 31.34 1cr9 s GLN 188 CO 0.76 0.63 1.16 -1.12 -2.12 0.00 0.00 175.29 174.60 1cr9 s SER 189 N -1.64 7.07 -0.17 5.90 0.01 -1.26 -4.43 113.70 119.18 1cr9 s SER 189 Ca 0.21 2.39 0.01 0.00 1.31 0.00 0.00 55.95 59.86 1cr9 s SER 189 Cb -0.12 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1cr9 s SER 189 CO 0.12 -0.29 -0.16 -0.63 0.41 0.00 0.00 173.24 172.68 1cr9 s ILE 190 N -1.18 1.82 -0.09 1.44 -1.09 -1.26 -5.00 121.20 115.84 1cr9 s ILE 190 Ca 0.47 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 1cr9 s ILE 190 Cb -0.34 -1.71 -0.01 0.00 -1.58 0.00 0.00 42.46 38.82 1cr9 s ILE 190 CO 0.44 0.45 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.51 1cr9 s THR 191 N 1.37 2.53 -0.36 2.92 2.01 -1.26 -0.81 115.64 122.04 1cr9 s THR 191 Ca 0.04 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 60.98 1cr9 s THR 191 Cb -0.14 -1.99 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 1cr9 s THR 191 CO -0.11 0.56 0.52 0.00 -0.69 0.00 0.00 174.62 174.89 1cr9 s ASN 193 N 1.78 5.80 -0.11 0.00 0.02 0.44 -1.66 114.94 121.21 1cr9 s ASN 193 Ca 0.19 -0.05 0.03 0.00 -1.02 0.00 0.00 52.86 52.00 1cr9 s ASN 193 Cb -0.15 -2.07 0.01 0.00 0.02 0.00 0.00 41.25 39.05 1cr9 s ASN 193 CO 0.14 -0.04 -0.21 -0.69 0.02 0.00 0.00 177.10 176.32 1cr9 s VAL 194 N 1.69 1.87 -0.09 1.60 1.01 0.20 -0.63 120.40 126.04 1cr9 s VAL 194 Ca 0.07 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1cr9 s VAL 194 Cb -0.16 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1cr9 s VAL 194 CO 0.09 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.54 1cr9 s ALA 195 N 0.67 1.70 -0.50 5.51 0.00 0.16 -0.17 121.76 129.12 1cr9 s ALA 195 Ca -0.12 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1cr9 s ALA 195 Cb -0.16 -0.75 0.13 0.00 0.00 0.00 0.00 23.12 22.34 1cr9 s ALA 195 CO 0.02 0.08 0.26 -1.58 0.00 0.00 0.00 175.76 174.54 1cr9 s HIS 196 N 0.72 3.37 0.20 0.00 2.46 0.10 -0.70 115.29 121.44 1cr9 s HIS 196 Ca -0.12 -2.98 -0.11 0.00 0.47 0.00 0.00 55.06 52.32 1cr9 s HIS 196 Cb -0.16 -2.96 0.22 0.00 -0.13 0.00 0.00 32.58 29.55 1cr9 s HIS 196 CO 0.03 -0.82 1.77 -1.00 -2.47 0.00 0.00 174.74 172.25 1cr9 h PRO 197 N 6.94 0.47 -0.80 2.88 0.13 -1.80 0.25 132.00 140.07 1cr9 h PRO 197 Ca -0.06 -0.03 0.23 0.00 -0.87 0.00 0.00 66.00 65.27 1cr9 h PRO 197 Cb 0.94 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 1cr9 h PRO 197 CO 0.66 0.31 0.57 0.00 -0.23 0.00 0.00 178.00 179.32 1cr9 h ALA 198 N 1.35 2.70 -0.20 -0.56 0.00 -1.85 0.84 119.26 121.55 1cr9 h ALA 198 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1cr9 h ALA 198 Cb 0.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1cr9 h ALA 198 CO -0.23 -0.93 0.00 -1.13 0.00 0.00 0.00 179.25 176.96 1cr9 n SER 199 N -4.32 2.46 -3.77 0.00 3.41 -0.90 -4.97 113.62 105.53 1cr9 n SER 199 Ca 0.16 -1.87 -0.29 0.00 -0.26 0.00 0.00 58.87 56.61 1cr9 n SER 199 Cb 0.85 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1cr9 n SER 199 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1cr9 n SER 200 N 0.26 -3.27 -4.80 4.04 3.41 0.29 -4.95 113.62 108.61 1cr9 n SER 200 Ca 0.07 -0.66 -0.39 0.00 -0.26 0.00 0.00 58.87 57.64 1cr9 n SER 200 Cb 0.34 -2.71 -0.06 0.00 -0.26 0.00 0.00 64.21 61.53 1cr9 n SER 200 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cr9 s THR 201 N -3.04 4.84 -0.04 6.66 2.01 -0.48 -4.94 115.64 120.65 1cr9 s THR 201 Ca 0.56 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.73 1cr9 s THR 201 Cb -0.30 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.35 1cr9 s THR 201 CO 0.69 0.51 -0.02 -0.54 -0.69 0.00 0.00 174.62 174.57 1cr9 s LYS 202 N -0.76 0.53 -0.05 4.92 1.02 -1.26 0.00 119.74 124.15 1cr9 s LYS 202 Ca 0.29 0.01 -0.04 0.00 0.02 0.00 0.00 55.97 56.25 1cr9 s LYS 202 Cb -0.19 -0.66 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 1cr9 s LYS 202 CO 0.17 -0.13 0.13 0.08 -0.92 0.00 0.00 175.35 174.69 1cr9 s VAL 203 N 1.05 -0.02 -0.11 3.17 1.01 0.76 -5.00 120.40 121.26 1cr9 s VAL 203 Ca -0.09 0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1cr9 s VAL 203 Cb -0.14 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.05 1cr9 s VAL 203 CO -0.01 0.02 -0.18 -1.81 0.00 0.00 0.00 175.10 173.12 1cr9 s ASP 204 N 0.41 2.67 -0.12 3.32 1.01 -1.26 0.61 116.67 123.31 1cr9 s ASP 204 Ca -0.03 -0.49 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1cr9 s ASP 204 Cb -0.04 -1.21 0.01 0.00 1.01 0.00 0.00 42.92 42.69 1cr9 s ASP 204 CO -0.02 0.06 -0.17 -0.54 0.21 0.00 0.00 175.17 174.71 1cr9 s LYS 205 N 0.82 2.46 0.05 8.23 -0.14 -0.66 -4.96 119.74 125.53 1cr9 s LYS 205 Ca -0.09 -0.65 -0.25 0.00 -1.36 0.00 0.00 55.97 53.62 1cr9 s LYS 205 Cb -0.16 -2.06 -0.06 0.00 -1.68 0.00 0.00 37.83 33.87 1cr9 s LYS 205 CO 0.00 -0.06 0.76 0.15 -0.76 0.00 0.00 175.35 175.44 1cr9 s LYS 206 N 0.98 4.49 -0.50 1.68 1.02 -1.26 -0.62 119.74 125.52 1cr9 s LYS 206 Ca -0.06 1.06 -0.23 0.00 0.02 0.00 0.00 55.97 56.76 1cr9 s LYS 206 Cb -0.15 -3.36 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1cr9 s LYS 206 CO -0.02 0.29 0.82 0.42 -0.92 0.00 0.00 175.35 175.94 1cr9 s ILE 207 N -0.09 4.58 0.20 2.17 -1.09 0.01 -4.88 121.20 122.10 1cr9 s ILE 207 Ca 0.38 0.20 0.06 0.00 -2.23 0.00 0.00 60.65 59.05 1cr9 s ILE 207 Cb -0.20 -4.41 -0.04 0.00 -1.58 0.00 0.00 42.46 36.23 1cr9 s ILE 207 CO 0.23 -0.90 0.19 -1.61 -1.23 0.00 0.00 174.94 171.62 1cr9 s GLU 208 N 3.45 3.00 0.48 2.79 2.02 -1.26 -4.56 118.70 124.62 1cr9 s GLU 208 Ca 0.27 -0.91 -0.24 0.00 0.02 0.00 0.00 54.97 54.12 1cr9 s GLU 208 Cb -0.14 -2.66 -0.08 0.00 0.10 0.00 0.00 34.13 31.36 1cr9 s GLU 208 CO 0.19 0.45 1.31 -2.30 0.02 0.00 0.00 175.26 174.93 1cr9 n PRO 209 N -0.78 1.84 -1.71 0.39 -0.02 -1.26 -4.67 135.00 128.79 1cr9 n PRO 209 Ca -0.08 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 1cr9 n PRO 209 Cb 0.56 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.62 1cr9 n PRO 209 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1cr9 s ARG 210 N -2.51 2.71 0.08 -0.52 1.81 -1.26 -5.07 118.95 114.19 1cr9 s ARG 210 Ca 0.65 1.42 0.01 0.00 -1.72 0.00 0.00 55.73 56.09 1cr9 s ARG 210 Cb -0.46 -1.94 0.01 0.00 -0.45 0.00 0.00 34.95 32.12 1cr9 s ARG 210 CO 0.54 -1.32 0.11 0.28 -0.68 0.00 0.00 175.30 174.23 1cr9 n VAL 211 N -2.49 0.00 -1.72 3.52 0.31 -1.26 -5.01 118.33 111.68 1cr9 n VAL 211 Ca 0.11 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 1cr9 n VAL 211 Cb 0.52 -1.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.30 1cr9 n VAL 211 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1cr9 n THR 212 N -1.35 0.71 0.38 2.52 5.66 -1.26 -5.12 114.28 115.82 1cr9 n THR 212 Ca 0.02 -0.18 0.05 0.00 -3.05 0.00 0.00 64.05 60.89 1cr9 n THR 212 Cb 0.07 -1.88 0.04 0.00 -1.55 0.00 0.00 70.33 67.01 1cr9 n THR 212 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48