#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f97 s GLY 28 N 0.00 -0.19 0.15 2.58 0.00 -1.26 -4.72 107.32 103.88 1f97 s GLY 28 Ca 0.00 1.03 0.05 0.00 0.00 0.00 0.00 44.72 45.80 1f97 s GLY 28 CO 0.00 1.18 0.08 -1.35 0.00 0.00 0.00 173.10 173.01 1f97 s SER 29 N 1.02 5.27 -0.07 1.64 1.04 -1.11 -4.79 113.70 116.70 1f97 s SER 29 Ca -0.07 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1f97 s SER 29 Cb -0.08 -1.31 0.02 0.00 0.10 0.00 0.00 66.02 64.75 1f97 s SER 29 CO -0.07 0.10 -0.07 -0.69 0.98 0.00 0.00 173.24 173.48 1f97 s VAL 30 N -1.65 0.84 0.24 5.02 1.01 -1.26 -2.41 120.40 122.19 1f97 s VAL 30 Ca 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1f97 s VAL 30 Cb -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1f97 s VAL 30 CO 0.21 0.31 0.27 -0.72 0.00 0.00 0.00 175.10 175.18 1f97 s TYR 31 N 1.14 0.97 0.06 5.22 -0.85 0.25 -4.74 117.35 119.40 1f97 s TYR 31 Ca -0.07 -1.20 0.03 0.00 -0.52 0.00 0.00 57.07 55.31 1f97 s TYR 31 Cb -0.14 -0.31 -0.03 0.00 0.38 0.00 0.00 41.96 41.86 1f97 s TYR 31 CO -0.01 -0.81 -0.09 -0.08 -1.52 0.00 0.00 175.55 173.04 1f97 s THR 32 N -3.96 0.71 0.16 -3.49 -1.32 -1.26 -0.16 115.64 106.31 1f97 s THR 32 Ca 0.34 -1.23 -0.01 0.00 -1.21 0.00 0.00 61.69 59.57 1f97 s THR 32 Cb 0.04 -0.84 -0.14 0.00 -1.51 0.00 0.00 72.50 70.05 1f97 s THR 32 CO 0.13 -0.39 1.38 0.00 -2.21 0.00 0.00 174.62 173.53 1f97 h ALA 33 N 4.28 0.51 -3.02 11.08 0.00 -1.99 -3.44 119.26 126.67 1f97 h ALA 33 Ca -0.37 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 53.54 1f97 h ALA 33 Cb 1.20 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.57 1f97 h ALA 33 CO 0.43 0.82 -0.66 -1.14 0.00 0.00 0.00 179.25 178.70 1f97 s GLN 34 N -3.40 0.05 0.00 0.00 2.00 -1.26 -5.01 119.66 112.04 1f97 s GLN 34 Ca -0.05 0.40 0.25 0.00 -2.00 0.00 0.00 55.36 53.96 1f97 s GLN 34 Cb 0.10 -0.65 0.50 0.00 0.80 0.00 0.00 33.01 33.76 1f97 s GLN 34 CO 0.84 -0.41 1.41 -1.13 -0.50 0.00 0.00 175.29 175.50 1f97 n SER 35 N 5.32 1.21 -3.73 6.67 3.41 -1.26 -4.57 113.62 120.67 1f97 n SER 35 Ca -0.05 -0.98 -0.30 0.00 -0.26 0.00 0.00 58.87 57.28 1f97 n SER 35 Cb 0.50 0.27 -0.13 0.00 -0.26 0.00 0.00 64.21 64.59 1f97 n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1f97 s ASP 36 N -2.57 3.70 -0.22 4.04 2.15 -1.26 -1.05 116.67 121.47 1f97 s ASP 36 Ca 0.21 -2.61 -0.10 0.00 0.43 0.00 0.00 52.55 50.48 1f97 s ASP 36 Cb 0.19 -1.06 -0.05 0.00 -0.30 0.00 0.00 42.92 41.70 1f97 s ASP 36 CO 0.57 -0.27 0.14 -0.69 -0.17 0.00 0.00 175.17 174.75 1f97 s VAL 37 N 0.37 5.39 -0.08 1.11 1.01 0.02 -5.00 120.40 123.22 1f97 s VAL 37 Ca 0.17 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1f97 s VAL 37 Cb -0.24 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 1f97 s VAL 37 CO -0.00 0.40 -0.22 -1.10 0.00 0.00 0.00 175.10 174.18 1f97 s GLN 38 N 0.68 2.57 -0.17 2.72 -0.21 -1.26 -0.34 119.66 123.66 1f97 s GLN 38 Ca 0.08 -0.79 -0.16 0.00 0.02 0.00 0.00 55.36 54.51 1f97 s GLN 38 Cb -0.12 -2.05 0.04 0.00 1.00 0.00 0.00 33.01 31.88 1f97 s GLN 38 CO 0.01 0.22 0.45 0.54 -2.12 0.00 0.00 175.29 174.40 1f97 s VAL 39 N 0.21 0.00 0.57 1.09 0.11 -0.90 -4.98 120.40 116.49 1f97 s VAL 39 Ca -0.12 -0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 58.71 1f97 s VAL 39 Cb -0.16 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1f97 s VAL 39 CO 0.06 -0.00 1.33 -2.84 -3.33 0.00 0.00 175.10 170.31 1f97 s PRO 40 N 0.21 3.03 0.61 1.54 0.02 -1.26 -0.30 135.00 138.84 1f97 s PRO 40 Ca -0.00 2.16 -0.19 0.00 0.02 0.00 0.00 61.00 62.98 1f97 s PRO 40 Cb -0.03 -2.16 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 1f97 s PRO 40 CO 0.01 -1.25 1.23 -1.91 -0.33 0.00 0.00 177.00 174.74 1f97 n GLU 41 N -1.23 1.21 -0.86 5.54 2.13 -0.90 -2.81 120.64 123.73 1f97 n GLU 41 Ca 0.12 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1f97 n GLU 41 Cb 0.46 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1f97 n GLU 41 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1f97 n ASN 42 N -1.36 -0.84 -4.95 4.31 3.02 0.17 -4.96 115.26 110.65 1f97 n ASN 42 Ca 0.14 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.48 1f97 n ASN 42 Cb 0.47 -1.03 -0.02 0.00 -0.61 0.00 0.00 39.78 38.59 1f97 n ASN 42 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1f97 s GLU 43 N -0.43 3.23 0.43 3.52 2.02 -1.12 -4.60 118.70 121.75 1f97 s GLU 43 Ca 0.00 -0.91 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 1f97 s GLU 43 Cb 0.00 -2.80 -0.11 0.00 0.10 0.00 0.00 34.13 31.32 1f97 s GLU 43 CO 0.00 0.30 0.94 -1.12 0.02 0.00 0.00 175.26 175.39 1f97 s SER 44 N -4.02 6.91 -0.16 -0.19 0.01 -1.25 -2.38 113.70 112.62 1f97 s SER 44 Ca 0.38 1.65 -0.20 0.00 1.31 0.00 0.00 55.95 59.08 1f97 s SER 44 Cb -0.09 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.67 1f97 s SER 44 CO 0.29 -0.36 0.54 -0.51 0.41 0.00 0.00 173.24 173.61 1f97 s ILE 45 N -2.20 0.01 -0.22 1.44 1.10 -0.80 -4.99 121.20 115.54 1f97 s ILE 45 Ca 0.61 -0.06 -0.02 0.00 -0.51 0.00 0.00 60.65 60.68 1f97 s ILE 45 Cb -0.09 -0.78 0.01 0.00 0.15 0.00 0.00 42.46 41.74 1f97 s ILE 45 CO 0.15 -0.03 -0.09 -0.75 -2.11 0.00 0.00 174.94 172.11 1f97 s LYS 46 N -0.12 3.14 -0.45 3.50 2.20 -1.26 -0.08 119.74 126.68 1f97 s LYS 46 Ca -0.03 -0.77 -0.24 0.00 -0.36 0.00 0.00 55.97 54.57 1f97 s LYS 46 Cb -0.03 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1f97 s LYS 46 CO 0.03 -0.25 0.83 -0.51 -0.36 0.00 0.00 175.35 175.09 1f97 s LEU 47 N 1.39 4.16 0.36 5.43 1.43 0.35 -4.93 118.68 126.87 1f97 s LEU 47 Ca 0.04 0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.92 1f97 s LEU 47 Cb -0.14 -3.05 -0.10 0.00 0.03 0.00 0.00 46.19 42.93 1f97 s LEU 47 CO -0.06 -0.94 0.92 0.42 0.23 0.00 0.00 176.35 176.92 1f97 s THR 48 N 3.42 4.32 -0.30 5.49 -4.23 -1.26 -1.70 115.64 121.38 1f97 s THR 48 Ca 0.32 1.63 0.03 0.00 -1.18 0.00 0.00 61.69 62.49 1f97 s THR 48 Cb -0.12 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.06 1f97 s THR 48 CO 0.23 -0.04 0.44 0.00 -0.54 0.00 0.00 174.62 174.72 1f97 s THR 50 N 2.49 5.26 0.04 0.00 2.01 0.77 -4.22 115.64 121.99 1f97 s THR 50 Ca 0.10 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 1f97 s THR 50 Cb -0.12 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1f97 s THR 50 CO -0.27 0.03 0.34 -0.72 -0.69 0.00 0.00 174.62 173.31 1f97 s TYR 51 N -1.61 -0.17 0.00 4.92 -0.85 -1.26 -0.58 117.35 117.80 1f97 s TYR 51 Ca 0.34 0.07 -0.06 0.00 -0.52 0.00 0.00 57.07 56.91 1f97 s TYR 51 Cb -0.12 0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.36 1f97 s TYR 51 CO 0.28 -0.52 0.11 -1.54 -1.52 0.00 0.00 175.55 172.35 1f97 s SER 52 N -2.02 0.06 0.00 -0.18 1.04 -1.01 -4.87 113.70 106.72 1f97 s SER 52 Ca -0.05 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1f97 s SER 52 Cb -0.01 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1f97 s SER 52 CO -0.03 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1f97 n GLY 53 N 1.56 0.46 3.89 7.32 0.00 -1.26 -2.75 105.19 114.41 1f97 n GLY 53 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1f97 n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f97 s PHE 54 N -2.04 3.45 -0.11 1.61 0.40 -1.26 -4.82 117.98 115.21 1f97 s PHE 54 Ca 0.00 0.22 -0.08 0.00 -0.60 0.00 0.00 56.93 56.47 1f97 s PHE 54 Cb 0.00 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 1f97 s PHE 54 CO 0.00 0.58 -0.19 0.43 0.70 0.00 0.00 175.22 176.74 1f97 n SER 55 N 0.37 1.23 -3.44 1.36 7.64 -1.26 -4.85 113.62 114.67 1f97 n SER 55 Ca -0.06 0.20 -0.26 0.00 1.01 0.00 0.00 58.87 59.76 1f97 n SER 55 Cb 0.51 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 63.15 1f97 n SER 55 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1f97 n SER 56 N -3.79 2.38 -4.76 6.43 2.88 -1.26 -5.09 113.62 110.40 1f97 n SER 56 Ca -0.20 -3.13 -0.40 0.00 -1.33 0.00 0.00 58.87 53.81 1f97 n SER 56 Cb 0.53 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.28 1f97 n SER 56 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f97 s PRO 57 N -1.78 4.57 -0.27 -1.46 0.04 -1.26 -1.67 135.00 133.18 1f97 s PRO 57 Ca 0.36 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 1f97 s PRO 57 Cb 0.12 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 1f97 s PRO 57 CO -0.08 0.17 0.08 0.50 0.04 0.00 0.00 177.00 177.72 1f97 s ARG 58 N -1.61 3.53 -0.17 4.56 3.52 0.70 -4.92 118.95 124.57 1f97 s ARG 58 Ca 0.46 -0.56 -0.06 0.00 -0.13 0.00 0.00 55.73 55.44 1f97 s ARG 58 Cb -0.30 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1f97 s ARG 58 CO 0.38 -0.26 0.04 0.08 -0.81 0.00 0.00 175.30 174.73 1f97 s VAL 59 N 1.60 4.61 0.06 7.11 1.01 -1.26 -1.84 120.40 131.70 1f97 s VAL 59 Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1f97 s VAL 59 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1f97 s VAL 59 CO 0.04 0.48 -0.09 -1.61 0.00 0.00 0.00 175.10 173.92 1f97 s GLU 60 N 0.25 0.68 -0.01 2.72 2.02 -0.16 -0.87 118.70 123.32 1f97 s GLU 60 Ca 0.03 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.09 1f97 s GLU 60 Cb -0.13 -0.42 0.00 0.00 0.10 0.00 0.00 34.13 33.69 1f97 s GLU 60 CO 0.01 0.07 -0.07 -1.58 0.02 0.00 0.00 175.26 173.71 1f97 s TRP 61 N -1.85 0.68 0.04 1.61 0.52 -0.58 -0.24 118.94 119.13 1f97 s TRP 61 Ca -0.03 -0.14 0.05 0.00 0.02 0.00 0.00 56.10 56.00 1f97 s TRP 61 Cb -0.07 -0.48 -0.02 0.00 -1.15 0.00 0.00 33.47 31.75 1f97 s TRP 61 CO 0.00 -0.05 -0.15 -1.59 0.02 0.00 0.00 176.95 175.17 1f97 s LYS 62 N 0.09 1.02 -0.20 4.98 -2.85 -0.98 0.11 119.74 121.91 1f97 s LYS 62 Ca -0.01 -0.81 -0.03 0.00 -1.00 0.00 0.00 55.97 54.12 1f97 s LYS 62 Cb -0.06 -1.05 -0.01 0.00 -2.06 0.00 0.00 37.83 34.65 1f97 s LYS 62 CO -0.00 0.26 -0.06 0.12 0.10 0.00 0.00 175.35 175.77 1f97 s PHE 63 N -0.87 2.94 -0.16 1.78 5.36 0.15 -1.40 117.98 125.78 1f97 s PHE 63 Ca 0.03 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.16 1f97 s PHE 63 Cb -0.08 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.56 1f97 s PHE 63 CO 0.01 -0.45 -0.18 0.08 -1.46 0.00 0.00 175.22 173.23 1f97 s VAL 64 N 1.19 2.37 -0.20 3.12 1.01 -0.53 -1.48 120.40 125.87 1f97 s VAL 64 Ca 0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1f97 s VAL 64 Cb -0.14 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.33 1f97 s VAL 64 CO -0.01 0.52 0.16 -1.58 0.00 0.00 0.00 175.10 174.19 1f97 s GLN 65 N 1.02 0.15 7.85 2.72 0.74 -0.97 -2.11 119.66 129.05 1f97 s GLN 65 Ca -0.02 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.39 1f97 s GLN 65 Cb -0.15 -1.42 0.00 0.00 1.10 0.00 0.00 33.01 32.55 1f97 s GLN 65 CO -0.05 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 174.38 1f97 n GLY 66 N 5.30 3.10 0.00 2.59 0.00 -1.26 -2.09 105.19 112.83 1f97 n GLY 66 Ca -0.06 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1f97 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f97 n SER 67 N 9.15 0.82 -4.70 1.61 3.41 -1.26 -4.97 113.62 117.69 1f97 n SER 67 Ca 0.00 -0.81 -0.42 0.00 -0.26 0.00 0.00 58.87 57.38 1f97 n SER 67 Cb 0.00 1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 65.01 1f97 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1f97 s THR 68 N -2.68 3.87 -0.22 6.66 2.01 -0.89 -5.02 115.64 119.37 1f97 s THR 68 Ca 0.05 1.27 0.01 0.00 0.31 0.00 0.00 61.69 63.34 1f97 s THR 68 Cb 0.13 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.87 1f97 s THR 68 CO 0.71 0.03 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.70 1f97 s THR 69 N 1.91 1.65 0.04 -0.82 2.01 -1.26 -2.29 115.64 116.87 1f97 s THR 69 Ca 0.61 -1.18 0.08 0.00 0.31 0.00 0.00 61.69 61.51 1f97 s THR 69 Cb -0.30 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1f97 s THR 69 CO 0.26 0.02 -0.22 0.00 -0.69 0.00 0.00 174.62 173.99 1f97 s ALA 70 N 1.36 1.89 -0.12 7.40 0.00 -0.55 -4.97 121.76 126.77 1f97 s ALA 70 Ca -0.04 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.62 1f97 s ALA 70 Cb -0.18 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1f97 s ALA 70 CO -0.07 0.44 0.56 -0.51 0.00 0.00 0.00 175.76 176.17 1f97 s LEU 71 N -1.10 4.26 -0.16 0.00 1.43 -1.26 0.34 118.68 122.19 1f97 s LEU 71 Ca 0.09 0.90 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 1f97 s LEU 71 Cb -0.09 -2.82 -0.23 0.00 0.03 0.00 0.00 46.19 43.08 1f97 s LEU 71 CO 0.01 -0.08 0.19 0.52 0.23 0.00 0.00 176.35 177.22 1f97 n VAL 72 N 3.91 1.54 -4.01 -1.59 0.31 0.12 -4.68 118.33 113.92 1f97 n VAL 72 Ca -0.05 -0.73 -0.20 0.00 -0.01 0.00 0.00 64.34 63.35 1f97 n VAL 72 Cb 0.51 -1.07 -0.17 0.00 -0.91 0.00 0.00 33.84 32.20 1f97 n VAL 72 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f97 s TYR 74 N 1.23 1.71 -1.50 0.00 6.14 0.79 -1.52 117.35 124.20 1f97 s TYR 74 Ca -0.06 -0.69 -0.09 0.00 0.64 0.00 0.00 57.07 56.87 1f97 s TYR 74 Cb -0.14 -1.23 0.07 0.00 0.42 0.00 0.00 41.96 41.08 1f97 s TYR 74 CO -0.02 -0.34 0.73 -1.71 0.64 0.00 0.00 175.55 174.85 1f97 n ASN 75 N 3.88 -2.54 -1.33 4.32 5.15 -1.26 -1.03 115.26 122.45 1f97 n ASN 75 Ca -0.21 -0.91 -0.14 0.00 -0.60 0.00 0.00 54.58 52.72 1f97 n ASN 75 Cb 0.52 -3.40 -0.04 0.00 -0.53 0.00 0.00 39.78 36.33 1f97 n ASN 75 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1f97 n SER 76 N -2.87 -4.55 -3.90 1.20 7.64 -0.05 -4.87 113.62 106.22 1f97 n SER 76 Ca -0.11 0.19 -0.17 0.00 1.01 0.00 0.00 58.87 59.79 1f97 n SER 76 Cb 0.59 -3.48 -0.15 0.00 -1.01 0.00 0.00 64.21 60.15 1f97 n SER 76 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1f97 s GLN 77 N -3.88 0.52 0.18 1.43 0.74 -0.20 -4.98 119.66 113.47 1f97 s GLN 77 Ca 0.00 -0.09 -0.31 0.00 0.05 0.00 0.00 55.36 55.01 1f97 s GLN 77 Cb 0.00 -0.56 -0.10 0.00 1.10 0.00 0.00 33.01 33.45 1f97 s GLN 77 CO 0.00 -0.02 1.50 0.42 -0.55 0.00 0.00 175.29 176.65 1f97 s ILE 78 N 0.51 2.74 0.78 -2.34 -1.09 -1.26 -0.15 121.20 120.39 1f97 s ILE 78 Ca -0.06 0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 58.81 1f97 s ILE 78 Cb -0.09 -3.35 0.06 0.00 -1.58 0.00 0.00 42.46 37.50 1f97 s ILE 78 CO -0.00 0.06 1.09 0.42 -1.23 0.00 0.00 174.94 175.27 1f97 s THR 79 N 0.81 3.32 0.17 2.92 -4.23 0.04 -4.70 115.64 113.96 1f97 s THR 79 Ca 0.66 0.43 -0.23 0.00 -1.18 0.00 0.00 61.69 61.37 1f97 s THR 79 Cb -0.42 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.51 1f97 s THR 79 CO 0.34 -0.56 1.59 0.00 -0.54 0.00 0.00 174.62 175.46 1f97 h ALA 80 N -1.13 -0.17 0.00 3.99 0.00 -1.92 0.07 119.26 120.10 1f97 h ALA 80 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1f97 h ALA 80 Cb 1.24 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1f97 h ALA 80 CO 0.53 -0.72 0.00 -0.35 0.00 0.00 0.00 179.25 178.71 1f97 n PRO 81 N -5.42 0.05 0.00 0.00 -0.04 -1.26 -2.36 135.00 125.97 1f97 n PRO 81 Ca 0.01 0.44 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 1f97 n PRO 81 Cb 0.34 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 1f97 n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1f97 n TYR 82 N -1.71 0.00 0.32 0.54 4.01 -0.63 -4.72 117.16 114.96 1f97 n TYR 82 Ca 0.01 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.95 1f97 n TYR 82 Cb 0.08 0.00 1.11 0.00 -0.31 0.00 0.00 39.34 40.23 1f97 n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f97 h ALA 83 N 0.76 1.18 0.00 -0.72 0.00 -0.63 -1.19 119.26 118.65 1f97 h ALA 83 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f97 h ALA 83 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1f97 h ALA 83 CO 0.00 -0.04 -0.18 -0.40 0.00 0.00 0.00 179.25 178.64 1f97 n ASP 84 N -3.27 0.78 0.00 0.00 5.75 -1.26 -4.36 116.55 114.19 1f97 n ASP 84 Ca -0.03 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 1f97 n ASP 84 Cb 0.11 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1f97 n ASP 84 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1f97 n ARG 85 N -2.21 0.00 -4.61 0.11 1.85 -0.99 -5.03 116.66 105.78 1f97 n ARG 85 Ca 0.05 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.57 1f97 n ARG 85 Cb 0.43 -0.41 -0.16 0.00 -1.05 0.00 0.00 32.46 31.28 1f97 n ARG 85 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1f97 s VAL 86 N 0.00 2.50 -0.10 8.89 1.01 -0.49 -0.90 120.40 131.31 1f97 s VAL 86 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1f97 s VAL 86 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1f97 s VAL 86 CO 0.00 0.53 -0.09 -0.89 0.00 0.00 0.00 175.10 174.65 1f97 s THR 87 N 0.77 3.48 0.23 3.92 2.01 -0.10 -4.68 115.64 121.27 1f97 s THR 87 Ca -0.07 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 1f97 s THR 87 Cb -0.16 -2.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.83 1f97 s THR 87 CO 0.00 0.55 0.57 0.12 -0.69 0.00 0.00 174.62 175.18 1f97 s PHE 88 N -0.22 3.44 0.08 4.92 5.36 -1.26 -1.10 117.98 129.20 1f97 s PHE 88 Ca 0.02 0.94 -0.22 0.00 -0.96 0.00 0.00 56.93 56.72 1f97 s PHE 88 Cb -0.13 -2.31 0.05 0.00 -0.34 0.00 0.00 43.02 40.30 1f97 s PHE 88 CO 0.03 0.26 0.52 -1.54 -1.46 0.00 0.00 175.22 173.03 1f97 s SER 89 N -2.28 -0.44 0.39 6.13 1.04 -0.99 -4.98 113.70 112.57 1f97 s SER 89 Ca 0.47 0.07 0.27 0.00 0.48 0.00 0.00 55.95 57.25 1f97 s SER 89 Cb -0.11 0.51 1.36 0.00 0.10 0.00 0.00 66.02 67.88 1f97 s SER 89 CO 0.20 -0.79 1.83 0.77 0.98 0.00 0.00 173.24 176.24 1f97 h SER 90 N 2.55 0.00 -0.16 7.02 4.64 -1.98 -2.71 113.55 122.91 1f97 h SER 90 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1f97 h SER 90 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1f97 h SER 90 CO 0.41 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 1f97 n SER 91 N -2.49 2.90 0.00 4.97 3.41 -1.26 -4.85 113.62 116.31 1f97 n SER 91 Ca -0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1f97 n SER 91 Cb 0.13 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1f97 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f97 n GLY 92 N 1.18 0.97 3.62 5.00 0.00 -1.02 -1.44 105.19 113.50 1f97 n GLY 92 Ca 0.14 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 1f97 n GLY 92 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1f97 s ILE 93 N -1.61 4.02 -0.17 -0.61 -4.36 -0.69 -2.35 121.20 115.43 1f97 s ILE 93 Ca 0.00 -0.35 -0.02 0.00 -0.26 0.00 0.00 60.65 60.02 1f97 s ILE 93 Cb 0.00 -2.68 -0.01 0.00 1.25 0.00 0.00 42.46 41.02 1f97 s ILE 93 CO 0.00 0.59 -0.10 -0.89 0.24 0.00 0.00 174.94 174.78 1f97 s THR 94 N -0.66 3.15 -0.19 8.37 2.01 -0.25 -0.49 115.64 127.58 1f97 s THR 94 Ca 0.10 -0.60 -0.18 0.00 0.31 0.00 0.00 61.69 61.33 1f97 s THR 94 Cb -0.12 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1f97 s THR 94 CO 0.02 0.48 0.49 -0.36 -0.69 0.00 0.00 174.62 174.56 1f97 s PHE 95 N 0.86 3.39 0.21 4.92 0.40 0.88 -0.92 117.98 127.71 1f97 s PHE 95 Ca -0.03 0.75 0.27 0.00 -0.60 0.00 0.00 56.93 57.33 1f97 s PHE 95 Cb -0.15 -2.63 1.18 0.00 0.51 0.00 0.00 43.02 41.93 1f97 s PHE 95 CO 0.00 -0.06 1.93 0.66 0.70 0.00 0.00 175.22 178.46 1f97 h SER 96 N 7.37 0.00 -3.31 1.36 4.64 -1.31 -2.14 113.55 120.16 1f97 h SER 96 Ca -0.35 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.03 1f97 h SER 96 Cb 1.16 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.99 1f97 h SER 96 CO 0.74 0.15 0.44 -0.94 -0.87 0.00 0.00 176.83 176.34 1f97 s SER 97 N -6.05 -0.46 0.15 4.97 1.04 -1.26 -3.76 113.70 108.33 1f97 s SER 97 Ca -0.00 0.88 0.11 0.00 0.48 0.00 0.00 55.95 57.42 1f97 s SER 97 Cb 0.11 0.88 -0.04 0.00 0.10 0.00 0.00 66.02 67.07 1f97 s SER 97 CO 0.60 -0.17 -0.26 0.68 0.98 0.00 0.00 173.24 175.07 1f97 s VAL 98 N 0.16 2.25 0.36 5.02 -7.23 -1.00 -4.94 120.40 115.02 1f97 s VAL 98 Ca 0.03 -1.84 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 1f97 s VAL 98 Cb -0.05 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.81 1f97 s VAL 98 CO -0.05 0.01 0.03 0.42 -0.31 0.00 0.00 175.10 175.20 1f97 s THR 99 N -1.28 1.57 0.43 5.32 -4.23 -1.26 0.41 115.64 116.60 1f97 s THR 99 Ca 0.16 -2.01 0.36 0.00 -1.18 0.00 0.00 61.69 59.01 1f97 s THR 99 Cb -0.09 -2.86 0.36 0.00 1.34 0.00 0.00 72.50 71.24 1f97 s THR 99 CO 0.07 -0.02 2.09 0.08 -0.54 0.00 0.00 174.62 176.30 1f97 h ARG 100 N 1.98 0.00 0.00 3.99 0.11 -1.97 -0.01 114.38 118.48 1f97 h ARG 100 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1f97 h ARG 100 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1f97 h ARG 100 CO 0.74 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.44 1f97 n LYS 101 N -2.80 0.02 0.00 0.08 5.02 -1.26 -2.96 118.16 116.25 1f97 n LYS 101 Ca -0.02 0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 1f97 n LYS 101 Cb 0.12 -1.53 0.41 0.00 -0.02 0.00 0.00 35.03 34.02 1f97 n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1f97 n ASP 102 N -1.56 0.89 -4.69 4.39 8.00 -0.02 -4.93 116.55 118.63 1f97 n ASP 102 Ca 0.05 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.33 1f97 n ASP 102 Cb 0.26 0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1f97 n ASP 102 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f97 n ASN 103 N -0.76 2.84 0.00 -2.24 3.02 -1.16 -4.85 115.26 112.11 1f97 n ASN 103 Ca 0.12 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.85 1f97 n ASN 103 Cb 0.33 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 1f97 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f97 n GLY 104 N 1.48 -0.15 3.44 7.41 0.00 -0.88 -4.85 105.19 111.64 1f97 n GLY 104 Ca 0.08 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1f97 n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f97 s GLU 105 N -2.00 3.00 -0.14 1.61 -1.05 -0.90 -0.32 118.70 118.91 1f97 s GLU 105 Ca 0.00 -0.66 -0.02 0.00 -0.15 0.00 0.00 54.97 54.14 1f97 s GLU 105 Cb 0.00 -2.55 -0.02 0.00 -0.44 0.00 0.00 34.13 31.12 1f97 s GLU 105 CO 0.00 0.42 -0.09 0.71 0.95 0.00 0.00 175.26 177.25 1f97 s TYR 106 N -0.18 2.91 -0.23 4.83 1.51 0.46 -1.46 117.35 125.20 1f97 s TYR 106 Ca 0.00 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1f97 s TYR 106 Cb -0.13 -1.90 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1f97 s TYR 106 CO 0.03 -0.12 -0.06 0.99 -1.11 0.00 0.00 175.55 175.28 1f97 s THR 107 N 0.34 3.06 -0.23 -0.71 2.01 -0.49 0.05 115.64 119.67 1f97 s THR 107 Ca -0.08 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 1f97 s THR 107 Cb -0.15 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1f97 s THR 107 CO 0.04 0.35 0.67 0.00 -0.69 0.00 0.00 174.62 175.00 1f97 s MET 109 N 2.30 2.51 -0.13 0.00 -1.94 0.67 -1.65 119.30 121.06 1f97 s MET 109 Ca 0.29 -1.21 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 1f97 s MET 109 Cb -0.16 -3.15 -0.03 0.00 2.01 0.00 0.00 34.83 33.51 1f97 s MET 109 CO 0.09 -0.58 -0.03 0.08 -0.01 0.00 0.00 175.02 174.57 1f97 s VAL 110 N 1.27 3.99 0.01 -6.03 1.01 -0.42 -0.99 120.40 119.23 1f97 s VAL 110 Ca -0.04 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1f97 s VAL 110 Cb -0.19 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1f97 s VAL 110 CO -0.02 0.53 -0.03 -0.55 0.00 0.00 0.00 175.10 175.03 1f97 s SER 111 N -0.05 0.36 0.18 3.32 0.15 -0.76 -1.54 113.70 115.37 1f97 s SER 111 Ca 0.02 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 1f97 s SER 111 Cb -0.13 -0.00 -0.08 0.00 -1.71 0.00 0.00 66.02 64.10 1f97 s SER 111 CO 0.02 -0.05 0.97 -0.70 1.20 0.00 0.00 173.24 174.68 1f97 s GLU 112 N -0.47 4.77 -0.21 5.44 2.56 -0.41 -0.21 118.70 130.17 1f97 s GLU 112 Ca -0.03 1.51 -0.35 0.00 0.00 0.00 0.00 54.97 56.09 1f97 s GLU 112 Cb -0.03 -3.32 -0.12 0.00 2.00 0.00 0.00 34.13 32.66 1f97 s GLU 112 CO -0.00 0.35 1.97 -1.91 -0.56 0.00 0.00 175.26 175.11 1f97 n GLU 113 N 2.07 1.64 0.00 4.30 2.13 -0.67 -0.08 120.64 130.02 1f97 n GLU 113 Ca 0.00 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1f97 n GLU 113 Cb 0.48 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1f97 n GLU 113 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1f97 n GLY 114 N 5.09 2.05 2.22 8.31 0.00 -1.26 -4.77 105.19 116.83 1f97 n GLY 114 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1f97 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f97 n GLY 115 N 0.00 0.79 0.09 -0.02 0.00 0.88 -4.95 105.19 101.98 1f97 n GLY 115 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1f97 n GLY 115 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1f97 h GLN 116 N 2.58 -0.11 -5.41 1.61 -0.00 -1.86 -3.43 115.11 108.49 1f97 h GLN 116 Ca 0.00 0.01 -0.63 0.00 -0.00 0.00 0.00 58.65 58.03 1f97 h GLN 116 Cb 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 27.48 27.40 1f97 h GLN 116 CO 0.00 0.17 -0.50 1.21 -0.00 0.00 0.00 178.83 179.71 1f97 s ASN 117 N -5.35 6.19 0.03 0.06 2.47 -1.26 -5.01 114.94 112.07 1f97 s ASN 117 Ca -0.15 0.29 -0.08 0.00 0.42 0.00 0.00 52.86 53.34 1f97 s ASN 117 Cb 0.03 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 1f97 s ASN 117 CO 0.64 0.26 0.17 -0.47 -3.72 0.00 0.00 177.10 173.98 1f97 s TYR 118 N -0.14 0.07 -0.03 0.43 5.04 -1.26 -1.28 117.35 120.18 1f97 s TYR 118 Ca 0.10 -0.28 -0.29 0.00 -2.44 0.00 0.00 57.07 54.16 1f97 s TYR 118 Cb -0.11 -0.05 0.11 0.00 0.35 0.00 0.00 41.96 42.25 1f97 s TYR 118 CO 0.00 -0.39 0.92 0.20 -1.34 0.00 0.00 175.55 174.94 1f97 s GLY 119 N -1.94 -0.43 0.02 8.97 0.00 -0.59 -4.91 107.32 108.44 1f97 s GLY 119 Ca -0.07 1.17 -0.23 0.00 0.00 0.00 0.00 44.72 45.59 1f97 s GLY 119 CO -0.03 0.44 0.52 -1.83 0.00 0.00 0.00 173.10 172.20 1f97 s GLU 120 N -2.81 0.99 -0.09 2.90 -1.05 -1.26 -1.30 118.70 116.07 1f97 s GLU 120 Ca 0.04 -0.15 -0.06 0.00 -0.15 0.00 0.00 54.97 54.65 1f97 s GLU 120 Cb -0.01 0.45 0.03 0.00 -0.44 0.00 0.00 34.13 34.17 1f97 s GLU 120 CO -0.07 -0.34 0.22 0.54 0.95 0.00 0.00 175.26 176.56 1f97 s VAL 121 N -2.09 -0.02 0.09 1.83 0.11 -0.66 -4.91 120.40 114.75 1f97 s VAL 121 Ca -0.07 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 1f97 s VAL 121 Cb -0.01 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1f97 s VAL 121 CO 0.01 0.03 0.31 -0.44 -3.33 0.00 0.00 175.10 171.68 1f97 s SER 122 N 0.65 6.46 -0.05 3.54 0.01 -1.26 -0.64 113.70 122.41 1f97 s SER 122 Ca -0.04 0.50 -0.01 0.00 1.31 0.00 0.00 55.95 57.71 1f97 s SER 122 Cb -0.06 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 64.14 1f97 s SER 122 CO -0.04 0.13 0.03 -0.63 0.41 0.00 0.00 173.24 173.14 1f97 s ILE 123 N -1.54 0.11 -0.23 1.44 1.01 0.11 -4.79 121.20 117.32 1f97 s ILE 123 Ca 0.36 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 61.10 1f97 s ILE 123 Cb -0.13 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1f97 s ILE 123 CO 0.24 0.20 0.47 -2.28 0.00 0.00 0.00 174.94 173.57 1f97 s HIS 124 N 1.89 3.33 -0.20 3.97 2.46 -0.21 -0.40 115.29 126.13 1f97 s HIS 124 Ca 0.02 0.65 -0.08 0.00 0.47 0.00 0.00 55.06 56.13 1f97 s HIS 124 Cb -0.12 -2.64 -0.04 0.00 -0.13 0.00 0.00 32.58 29.65 1f97 s HIS 124 CO -0.04 -0.15 0.08 -1.17 -2.47 0.00 0.00 174.74 171.00 1f97 s LEU 125 N 1.80 3.86 -0.21 8.88 2.96 0.57 -0.80 118.68 135.74 1f97 s LEU 125 Ca 0.21 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1f97 s LEU 125 Cb -0.15 -1.99 0.05 0.00 0.50 0.00 0.00 46.19 44.60 1f97 s LEU 125 CO 0.09 0.15 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.30 1f97 s THR 126 N 0.54 1.59 -0.29 3.68 2.01 0.54 -2.07 115.64 121.63 1f97 s THR 126 Ca 0.04 -1.09 -0.24 0.00 0.31 0.00 0.00 61.69 60.71 1f97 s THR 126 Cb -0.13 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 1f97 s THR 126 CO 0.01 0.05 0.80 -0.69 -0.69 0.00 0.00 174.62 174.10 1f97 s VAL 127 N 1.40 4.80 -0.01 3.82 1.01 -1.26 -2.11 120.40 128.04 1f97 s VAL 127 Ca -0.03 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 1f97 s VAL 127 Cb -0.17 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1f97 s VAL 127 CO -0.07 -0.22 1.28 -0.76 0.00 0.00 0.00 175.10 175.33 1f97 s LEU 128 N 2.95 4.31 -0.05 3.92 1.43 0.59 -4.64 118.68 127.18 1f97 s LEU 128 Ca 0.33 1.97 -0.02 0.00 -1.03 0.00 0.00 54.13 55.38 1f97 s LEU 128 Cb -0.14 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.55 1f97 s LEU 128 CO 0.11 -0.61 0.09 -0.69 0.23 0.00 0.00 176.35 175.48 1f97 s VAL 129 N 2.04 -0.13 0.69 -1.59 1.01 -0.54 -2.13 120.40 119.74 1f97 s VAL 129 Ca 0.59 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 1f97 s VAL 129 Cb -0.28 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 35.93 1f97 s VAL 129 CO 0.25 0.14 1.10 -2.16 0.00 0.00 0.00 175.10 174.44 1f97 s PRO 130 N 1.88 2.64 0.54 2.72 0.04 -1.26 -0.88 135.00 140.69 1f97 s PRO 130 Ca 0.00 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 1f97 s PRO 130 Cb -0.12 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1f97 s PRO 130 CO -0.04 -1.36 1.23 -1.25 0.04 0.00 0.00 177.00 175.62 1f97 s PRO 131 N -4.35 3.23 0.49 0.56 0.04 -1.26 -4.07 135.00 129.64 1f97 s PRO 131 Ca 0.65 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 1f97 s PRO 131 Cb -0.19 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1f97 s PRO 131 CO 0.46 -1.02 0.73 -1.12 0.04 0.00 0.00 177.00 176.09 1f97 s SER 132 N -1.39 5.68 -0.05 6.66 0.01 -1.26 -4.83 113.70 118.53 1f97 s SER 132 Ca 0.72 0.30 -0.30 0.00 1.31 0.00 0.00 55.95 57.98 1f97 s SER 132 Cb -0.32 -1.43 -0.08 0.00 0.21 0.00 0.00 66.02 64.40 1f97 s SER 132 CO 0.37 -0.85 2.04 1.17 0.41 0.00 0.00 173.24 176.38 1f97 n LYS 133 N -2.21 2.54 -1.81 12.44 4.81 -1.26 -4.86 118.16 127.81 1f97 n LYS 133 Ca 0.03 0.88 -0.32 0.00 -0.87 0.00 0.00 58.31 58.03 1f97 n LYS 133 Cb 0.58 -3.03 0.03 0.00 0.02 0.00 0.00 35.03 32.63 1f97 n LYS 133 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1f97 s PRO 134 N 4.96 3.09 0.19 1.64 0.04 -1.26 -4.89 135.00 138.76 1f97 s PRO 134 Ca 0.93 1.13 0.06 0.00 0.04 0.00 0.00 61.00 63.16 1f97 s PRO 134 Cb -0.44 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1f97 s PRO 134 CO 0.41 -0.99 0.12 0.95 0.04 0.00 0.00 177.00 177.53 1f97 s THR 135 N -2.68 4.29 0.11 1.26 -4.23 -0.50 -4.39 115.64 109.51 1f97 s THR 135 Ca 0.62 -1.24 0.07 0.00 -1.18 0.00 0.00 61.69 59.95 1f97 s THR 135 Cb -0.16 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 1f97 s THR 135 CO 0.45 -0.17 -0.16 0.27 -0.54 0.00 0.00 174.62 174.47 1f97 s ILE 136 N -1.85 1.45 -0.30 2.99 -4.36 -1.26 -2.19 121.20 115.69 1f97 s ILE 136 Ca 0.31 -1.62 0.02 0.00 -0.26 0.00 0.00 60.65 59.10 1f97 s ILE 136 Cb -0.09 -1.49 0.08 0.00 1.25 0.00 0.00 42.46 42.21 1f97 s ILE 136 CO 0.23 -0.28 -0.00 -0.44 0.24 0.00 0.00 174.94 174.69 1f97 s SER 137 N -2.22 4.40 -0.21 4.36 0.01 -0.70 -4.98 113.70 114.37 1f97 s SER 137 Ca 0.07 -1.71 0.01 0.00 1.31 0.00 0.00 55.95 55.64 1f97 s SER 137 Cb -0.07 -1.41 0.05 0.00 0.21 0.00 0.00 66.02 64.79 1f97 s SER 137 CO 0.04 -0.31 -0.11 -0.69 0.41 0.00 0.00 173.24 172.58 1f97 s VAL 138 N 1.15 1.77 0.12 3.43 1.01 -1.26 -2.35 120.40 124.27 1f97 s VAL 138 Ca 0.03 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.55 1f97 s VAL 138 Cb -0.19 -1.85 -0.10 0.00 0.00 0.00 0.00 36.38 34.25 1f97 s VAL 138 CO -0.09 0.13 1.69 -2.16 0.00 0.00 0.00 175.10 174.67 1f97 s PRO 139 N 1.33 4.18 0.45 2.72 0.04 -1.26 -4.89 135.00 137.56 1f97 s PRO 139 Ca -0.03 2.44 0.10 0.00 0.04 0.00 0.00 61.00 63.56 1f97 s PRO 139 Cb -0.17 -3.43 0.99 0.00 0.04 0.00 0.00 34.50 31.94 1f97 s PRO 139 CO -0.08 -0.74 2.07 0.66 0.04 0.00 0.00 177.00 178.96 1f97 h SER 140 N 7.84 0.28 -3.65 6.66 4.64 -1.93 -3.39 113.55 124.00 1f97 h SER 140 Ca -0.44 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 60.62 1f97 h SER 140 Cb 1.21 -0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 62.93 1f97 h SER 140 CO 0.93 0.23 -0.70 -0.44 -0.87 0.00 0.00 176.83 175.98 1f97 s SER 141 N -6.84 0.01 0.04 4.97 0.01 -1.26 0.03 113.70 110.66 1f97 s SER 141 Ca -0.07 0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.25 1f97 s SER 141 Cb 0.17 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.38 1f97 s SER 141 CO 0.71 -0.05 -0.05 0.68 0.41 0.00 0.00 173.24 174.93 1f97 s VAL 142 N 0.41 0.35 -0.20 3.43 -7.23 0.23 -4.93 120.40 112.45 1f97 s VAL 142 Ca -0.03 -1.12 -0.18 0.00 -1.81 0.00 0.00 61.98 58.83 1f97 s VAL 142 Cb -0.05 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.26 1f97 s VAL 142 CO -0.01 -0.51 0.51 -0.89 -0.31 0.00 0.00 175.10 173.89 1f97 s THR 143 N -1.75 5.11 0.22 5.32 2.01 -1.26 -1.16 115.64 124.12 1f97 s THR 143 Ca -0.10 0.94 -0.32 0.00 0.31 0.00 0.00 61.69 62.52 1f97 s THR 143 Cb -0.08 -3.84 -0.14 0.00 0.01 0.00 0.00 72.50 68.46 1f97 s THR 143 CO -0.01 0.18 1.41 -0.38 -0.69 0.00 0.00 174.62 175.13 1f97 n ILE 144 N 4.56 0.77 0.00 1.82 5.41 0.25 -1.43 119.36 130.74 1f97 n ILE 144 Ca -0.05 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1f97 n ILE 144 Cb 0.50 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 1f97 n ILE 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f97 n GLY 145 N 2.35 3.23 3.99 7.39 0.00 -0.31 -4.95 105.19 116.88 1f97 n GLY 145 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1f97 n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f97 s ASN 146 N -0.51 4.33 0.11 1.61 0.01 -0.51 -4.58 114.94 115.40 1f97 s ASN 146 Ca 0.00 -0.40 -0.11 0.00 -0.71 0.00 0.00 52.86 51.65 1f97 s ASN 146 Cb 0.00 0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.63 1f97 s ASN 146 CO 0.00 -1.88 0.45 -0.60 -1.51 0.00 0.00 177.10 173.56 1f97 s ARG 147 N -5.14 3.81 -0.11 -0.60 3.52 -1.26 -0.80 118.95 118.37 1f97 s ARG 147 Ca 0.66 0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 56.47 1f97 s ARG 147 Cb -0.05 -2.95 0.05 0.00 -1.56 0.00 0.00 34.95 30.45 1f97 s ARG 147 CO 0.44 0.52 0.23 0.00 -0.81 0.00 0.00 175.30 175.68 1f97 s ALA 148 N -1.46 -0.46 -0.21 6.12 0.00 -0.41 -4.96 121.76 120.39 1f97 s ALA 148 Ca 0.36 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 1f97 s ALA 148 Cb -0.14 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.18 1f97 s ALA 148 CO 0.19 -0.45 -0.11 0.08 0.00 0.00 0.00 175.76 175.47 1f97 s VAL 149 N 1.93 2.72 -0.18 0.00 1.01 -1.26 -0.82 120.40 123.80 1f97 s VAL 149 Ca -0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1f97 s VAL 149 Cb -0.11 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1f97 s VAL 149 CO -0.08 0.42 0.18 -0.76 0.00 0.00 0.00 175.10 174.86 1f97 s LEU 150 N 1.37 4.23 0.15 3.92 1.43 0.71 -4.85 118.68 125.64 1f97 s LEU 150 Ca 0.04 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1f97 s LEU 150 Cb -0.14 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1f97 s LEU 150 CO -0.07 0.16 0.09 0.42 0.23 0.00 0.00 176.35 177.18 1f97 s THR 151 N 0.36 4.30 -0.12 5.49 -4.23 -0.99 -0.59 115.64 119.86 1f97 s THR 151 Ca 0.11 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1f97 s THR 151 Cb -0.12 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.61 1f97 s THR 151 CO 0.00 -0.07 0.26 0.00 -0.54 0.00 0.00 174.62 174.26 1f97 s SER 153 N 1.88 -0.39 0.04 0.00 1.04 -0.93 -4.37 113.70 110.97 1f97 s SER 153 Ca -0.04 -0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.18 1f97 s SER 153 Cb -0.11 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1f97 s SER 153 CO -0.09 -0.75 0.33 -1.83 0.98 0.00 0.00 173.24 171.88 1f97 s GLU 154 N -3.30 0.82 -0.04 4.02 4.04 -1.26 -1.41 118.70 121.56 1f97 s GLU 154 Ca 0.05 -0.44 0.07 0.00 0.04 0.00 0.00 54.97 54.69 1f97 s GLU 154 Cb -0.01 0.36 0.10 0.00 0.02 0.00 0.00 34.13 34.59 1f97 s GLU 154 CO -0.08 -0.26 0.99 -2.39 -1.84 0.00 0.00 175.26 171.68 1f97 n HIS 155 N 0.65 0.00 -0.07 4.83 1.44 -1.26 -4.78 115.22 116.02 1f97 n HIS 155 Ca -0.19 -0.56 -0.11 0.00 -2.01 0.00 0.00 57.72 54.86 1f97 n HIS 155 Cb 0.59 -0.08 -0.15 0.00 0.12 0.00 0.00 29.99 30.47 1f97 n HIS 155 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1f97 n ASP 156 N -0.71 0.51 -4.66 4.39 8.00 -1.26 -4.98 116.55 117.84 1f97 n ASP 156 Ca 0.05 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 1f97 n ASP 156 Cb 0.46 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 1f97 n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f97 n GLY 157 N 1.73 0.26 2.81 0.44 0.00 -1.26 -4.81 105.19 104.37 1f97 n GLY 157 Ca -0.29 0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1f97 n GLY 157 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f97 s SER 158 N -0.50 1.02 1.06 1.61 0.15 -0.06 -3.87 113.70 113.11 1f97 s SER 158 Ca 0.59 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 57.09 1f97 s SER 158 Cb -0.57 0.56 0.22 0.00 -1.71 0.00 0.00 66.02 64.52 1f97 s SER 158 CO 0.60 -0.31 1.07 -2.16 1.20 0.00 0.00 173.24 173.63 1f97 s PRO 159 N 2.38 -0.08 0.31 5.44 0.04 -1.26 -1.47 135.00 140.36 1f97 s PRO 159 Ca 0.07 0.81 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 1f97 s PRO 159 Cb -0.15 -1.65 -0.13 0.00 0.04 0.00 0.00 34.50 32.60 1f97 s PRO 159 CO -0.12 -3.15 1.20 -2.30 0.04 0.00 0.00 177.00 172.67 1f97 n PRO 160 N -4.51 1.84 -2.27 0.56 -0.02 -1.25 -4.83 135.00 124.52 1f97 n PRO 160 Ca 0.05 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 1f97 n PRO 160 Cb 0.55 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 1f97 n PRO 160 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1f97 s SER 161 N -0.35 6.24 0.21 2.55 0.01 -1.26 -4.76 113.70 116.34 1f97 s SER 161 Ca 0.58 1.71 0.08 0.00 1.31 0.00 0.00 55.95 59.63 1f97 s SER 161 Cb -0.63 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.04 1f97 s SER 161 CO 0.60 -0.85 0.02 -1.61 0.41 0.00 0.00 173.24 171.82 1f97 s GLU 162 N -3.97 2.44 0.23 12.44 2.02 -0.15 -4.86 118.70 126.85 1f97 s GLU 162 Ca 0.62 -1.20 0.10 0.00 0.02 0.00 0.00 54.97 54.51 1f97 s GLU 162 Cb -0.13 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.73 1f97 s GLU 162 CO 0.32 0.42 -0.17 0.71 0.02 0.00 0.00 175.26 176.56 1f97 s TYR 163 N -1.96 1.96 -0.01 1.61 2.02 -0.06 -2.13 117.35 118.78 1f97 s TYR 163 Ca 0.29 -0.47 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 1f97 s TYR 163 Cb -0.08 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1f97 s TYR 163 CO 0.20 0.51 0.14 -1.54 -1.57 0.00 0.00 175.55 173.28 1f97 s SER 164 N -3.35 -0.01 0.27 2.29 1.04 -0.99 -4.56 113.70 108.39 1f97 s SER 164 Ca 0.25 -0.11 0.10 0.00 0.48 0.00 0.00 55.95 56.67 1f97 s SER 164 Cb -0.03 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1f97 s SER 164 CO 0.10 -0.31 -0.03 0.26 0.98 0.00 0.00 173.24 174.24 1f97 s TRP 165 N -1.10 2.64 0.01 5.02 0.52 -1.26 -1.86 118.94 122.91 1f97 s TRP 165 Ca -0.12 -0.24 0.01 0.00 0.02 0.00 0.00 56.10 55.78 1f97 s TRP 165 Cb -0.06 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.08 1f97 s TRP 165 CO 0.01 0.63 -0.05 -0.06 0.02 0.00 0.00 176.95 177.51 1f97 s PHE 166 N -2.34 0.44 -0.13 -1.98 0.40 -0.35 -2.02 117.98 112.00 1f97 s PHE 166 Ca 0.31 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1f97 s PHE 166 Cb -0.06 -0.27 0.03 0.00 0.51 0.00 0.00 43.02 43.22 1f97 s PHE 166 CO 0.19 -0.05 -0.07 0.21 0.70 0.00 0.00 175.22 176.21 1f97 s LYS 167 N -0.66 1.52 -1.44 0.44 2.20 -0.18 -2.49 119.74 119.13 1f97 s LYS 167 Ca -0.04 -0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.10 1f97 s LYS 167 Cb -0.05 -1.75 0.09 0.00 -1.51 0.00 0.00 37.83 34.60 1f97 s LYS 167 CO -0.00 -0.33 0.67 -0.25 -0.36 0.00 0.00 175.35 175.09 1f97 n ASP 168 N 4.91 -4.12 0.00 1.43 8.00 0.66 -0.67 116.55 126.77 1f97 n ASP 168 Ca -0.12 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1f97 n ASP 168 Cb 0.49 -3.36 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 1f97 n ASP 168 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f97 n GLY 169 N -1.36 1.73 3.72 0.44 0.00 -1.26 -5.03 105.19 103.43 1f97 n GLY 169 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1f97 n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f97 s ILE 170 N -2.58 5.16 -0.24 -0.61 -1.09 0.15 -5.03 121.20 116.96 1f97 s ILE 170 Ca 0.00 1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 59.19 1f97 s ILE 170 Cb 0.00 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1f97 s ILE 170 CO 0.00 0.31 1.45 -0.55 -1.23 0.00 0.00 174.94 174.92 1f97 s SER 171 N 0.66 6.57 0.60 3.58 0.15 -1.26 -1.01 113.70 122.99 1f97 s SER 171 Ca 0.28 1.47 0.32 0.00 0.70 0.00 0.00 55.95 58.73 1f97 s SER 171 Cb -0.16 -2.54 1.90 0.00 -1.71 0.00 0.00 66.02 63.52 1f97 s SER 171 CO 0.12 -1.12 2.26 0.24 1.20 0.00 0.00 173.24 175.94 1f97 h MET 172 N 9.82 0.00 -3.77 5.44 0.00 -1.77 -3.40 114.93 121.24 1f97 h MET 172 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 59.70 59.06 1f97 h MET 172 Cb 1.13 0.00 -0.34 0.00 0.00 0.00 0.00 31.60 32.39 1f97 h MET 172 CO 1.01 0.01 -0.75 -0.51 0.00 0.00 0.00 176.91 176.68 1f97 s LEU 173 N -7.33 1.24 0.00 1.22 1.43 -1.26 -1.20 118.68 112.78 1f97 s LEU 173 Ca -0.05 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1f97 s LEU 173 Cb 0.14 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 46.13 1f97 s LEU 173 CO 0.52 -0.09 0.00 0.41 0.23 0.00 0.00 176.35 177.43 1f97 n THR 174 N 4.05 0.00 -0.26 5.49 -1.04 -1.26 -5.00 114.28 116.25 1f97 n THR 174 Ca -0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1f97 n THR 174 Cb 0.51 1.57 0.00 0.00 -1.82 0.00 0.00 70.33 70.59 1f97 n THR 174 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1f97 n THR 180 N 0.00 -1.40 -2.67 12.58 -1.04 -1.26 -5.12 114.28 115.38 1f97 n THR 180 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1f97 n THR 180 Cb 0.20 -1.40 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 1f97 n THR 180 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1f97 s ARG 181 N -3.44 4.32 0.38 -2.82 0.52 -1.26 -4.96 118.95 111.69 1f97 s ARG 181 Ca 0.00 1.39 0.17 0.00 -0.52 0.00 0.00 55.73 56.78 1f97 s ARG 181 Cb 0.00 -2.58 0.75 0.00 0.52 0.00 0.00 34.95 33.64 1f97 s ARG 181 CO 0.00 0.02 1.78 0.00 0.02 0.00 0.00 175.30 177.12 1f97 h ALA 182 N 2.65 1.11 -1.79 2.13 0.00 -1.37 -3.45 119.26 118.53 1f97 h ALA 182 Ca -0.48 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.10 1f97 h ALA 182 Cb 1.20 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.70 1f97 h ALA 182 CO 0.63 0.47 0.31 -0.59 0.00 0.00 0.00 179.25 180.06 1f97 s PHE 183 N -3.81 -0.61 -1.26 0.00 -0.12 -1.26 -5.04 117.98 105.88 1f97 s PHE 183 Ca -0.01 1.44 0.25 0.00 -0.05 0.00 0.00 56.93 58.56 1f97 s PHE 183 Cb 0.12 0.33 0.57 0.00 -0.63 0.00 0.00 43.02 43.42 1f97 s PHE 183 CO 0.69 -0.33 1.46 -1.33 -0.05 0.00 0.00 175.22 175.66 1f97 n MET 184 N 2.21 0.29 0.00 1.99 2.81 -1.26 -4.22 117.12 118.94 1f97 n MET 184 Ca -0.13 -0.17 0.04 0.00 -1.81 0.00 0.00 57.70 55.63 1f97 n MET 184 Cb 0.56 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.81 1f97 n MET 184 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1f97 n ASN 185 N -1.21 0.00 -4.18 7.83 4.05 -1.26 -4.73 115.26 115.77 1f97 n ASN 185 Ca 0.08 -0.50 -0.19 0.00 0.45 0.00 0.00 54.58 54.42 1f97 n ASN 185 Cb 0.34 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.23 1f97 n ASN 185 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1f97 s SER 186 N -1.87 1.72 -1.03 1.20 0.15 -1.26 -4.98 113.70 107.62 1f97 s SER 186 Ca 0.12 -0.62 -0.01 0.00 0.70 0.00 0.00 55.95 56.14 1f97 s SER 186 Cb 0.05 -0.05 0.32 0.00 -1.71 0.00 0.00 66.02 64.63 1f97 s SER 186 CO 0.09 -0.07 1.84 -0.24 1.20 0.00 0.00 173.24 176.06 1f97 n SER 187 N 1.27 7.38 -4.84 5.45 2.88 -1.26 -5.00 113.62 119.49 1f97 n SER 187 Ca -0.21 -3.68 -0.21 0.00 -1.33 0.00 0.00 58.87 53.43 1f97 n SER 187 Cb 0.54 -1.17 -0.04 0.00 -0.75 0.00 0.00 64.21 62.79 1f97 n SER 187 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1f97 s PHE 188 N -4.30 2.99 -0.04 0.66 -0.71 -1.26 -2.87 117.98 112.45 1f97 s PHE 188 Ca 0.39 -0.22 -0.07 0.00 -1.04 0.00 0.00 56.93 55.99 1f97 s PHE 188 Cb 0.19 -1.64 0.01 0.00 -1.21 0.00 0.00 43.02 40.37 1f97 s PHE 188 CO -0.13 0.32 0.17 0.99 -1.34 0.00 0.00 175.22 175.23 1f97 s THR 189 N -2.24 0.03 -0.06 -4.49 2.01 -0.25 -4.98 115.64 105.67 1f97 s THR 189 Ca 0.38 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1f97 s THR 189 Cb -0.07 -0.34 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1f97 s THR 189 CO 0.26 -0.15 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.32 1f97 s ILE 190 N -0.51 0.87 -0.39 1.82 1.01 -1.26 -0.18 121.20 122.56 1f97 s ILE 190 Ca -0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 1f97 s ILE 190 Cb -0.04 -0.83 0.06 0.00 0.01 0.00 0.00 42.46 41.66 1f97 s ILE 190 CO 0.01 0.30 0.22 -0.62 0.00 0.00 0.00 174.94 174.85 1f97 s ASP 191 N 0.82 5.62 0.49 3.58 -1.08 -0.65 -4.98 116.67 120.48 1f97 s ASP 191 Ca -0.12 -1.29 0.17 0.00 -0.52 0.00 0.00 52.55 50.79 1f97 s ASP 191 Cb -0.15 -1.98 1.21 0.00 -1.46 0.00 0.00 42.92 40.54 1f97 s ASP 191 CO 0.02 -0.46 2.08 -0.65 0.52 0.00 0.00 175.17 176.68 1f97 h PRO 192 N 8.39 0.00 0.18 4.34 0.11 -1.87 0.36 132.00 143.50 1f97 h PRO 192 Ca -0.24 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.57 1f97 h PRO 192 Cb 1.09 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.22 1f97 h PRO 192 CO 0.71 0.09 -1.33 0.87 -0.21 0.00 0.00 178.00 178.12 1f97 h LYS 193 N 0.00 0.38 0.00 1.05 1.57 -1.89 -0.14 116.57 117.54 1f97 h LYS 193 Ca -0.00 -0.65 -0.29 0.00 -1.87 0.00 0.00 60.65 57.84 1f97 h LYS 193 Cb 0.17 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1f97 h LYS 193 CO 0.01 1.31 -1.93 -1.13 -0.57 0.00 0.00 179.45 177.14 1f97 n SER 194 N -3.61 0.51 0.00 0.86 3.41 -1.19 -4.88 113.62 108.72 1f97 n SER 194 Ca -0.12 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1f97 n SER 194 Cb 1.05 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 1f97 n SER 194 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f97 n GLY 195 N 1.59 0.75 3.73 5.00 0.00 0.13 -4.62 105.19 111.76 1f97 n GLY 195 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1f97 n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f97 s ASP 196 N -2.53 6.97 -0.29 1.61 1.01 -1.18 -3.46 116.67 118.79 1f97 s ASP 196 Ca 0.00 2.27 -0.03 0.00 0.71 0.00 0.00 52.55 55.50 1f97 s ASP 196 Cb 0.00 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.37 1f97 s ASP 196 CO 0.00 -0.50 0.02 -0.22 0.21 0.00 0.00 175.17 174.68 1f97 s LEU 197 N 0.29 3.80 -0.19 1.23 2.96 0.24 -1.63 118.68 125.38 1f97 s LEU 197 Ca 0.57 -1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 1f97 s LEU 197 Cb -0.34 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1f97 s LEU 197 CO 0.35 -0.23 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.49 1f97 s ILE 198 N 1.34 3.71 -0.26 6.68 1.01 0.75 -0.20 121.20 134.23 1f97 s ILE 198 Ca -0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1f97 s ILE 198 Cb -0.19 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.64 1f97 s ILE 198 CO -0.01 0.45 -0.01 -0.36 0.00 0.00 0.00 174.94 175.01 1f97 s PHE 199 N 0.93 3.09 -0.29 3.97 0.08 0.00 -1.08 117.98 124.68 1f97 s PHE 199 Ca 0.00 -1.33 0.02 0.00 0.12 0.00 0.00 56.93 55.74 1f97 s PHE 199 Cb -0.14 -2.12 0.16 0.00 -0.57 0.00 0.00 43.02 40.34 1f97 s PHE 199 CO 0.01 -0.67 0.42 0.34 -0.10 0.00 0.00 175.22 175.22 1f97 s ASP 200 N 1.39 0.26 0.53 1.36 -1.08 -1.14 -1.28 116.67 116.71 1f97 s ASP 200 Ca 0.01 -0.28 -0.05 0.00 -0.52 0.00 0.00 52.55 51.72 1f97 s ASP 200 Cb -0.17 1.16 -0.01 0.00 -1.46 0.00 0.00 42.92 42.45 1f97 s ASP 200 CO -0.02 -0.35 0.82 -2.16 0.52 0.00 0.00 175.17 173.99 1f97 s PRO 201 N 2.56 3.15 0.19 4.34 0.04 -1.26 -4.90 135.00 139.12 1f97 s PRO 201 Ca 0.10 -0.02 -0.23 0.00 0.04 0.00 0.00 61.00 60.89 1f97 s PRO 201 Cb -0.13 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.98 1f97 s PRO 201 CO -0.28 -0.46 0.76 0.14 0.04 0.00 0.00 177.00 177.20 1f97 s VAL 202 N -2.83 4.43 0.38 -0.36 -7.23 0.02 -4.63 120.40 110.18 1f97 s VAL 202 Ca 0.51 1.57 0.07 0.00 -1.81 0.00 0.00 61.98 62.31 1f97 s VAL 202 Cb -0.10 -4.04 -0.07 0.00 0.56 0.00 0.00 36.38 32.72 1f97 s VAL 202 CO 0.44 0.41 0.00 0.42 -0.31 0.00 0.00 175.10 176.06 1f97 s THR 203 N -1.28 1.85 0.53 5.32 -4.23 -1.26 -1.17 115.64 115.40 1f97 s THR 203 Ca 0.38 -2.03 0.17 0.00 -1.18 0.00 0.00 61.69 59.04 1f97 s THR 203 Cb -0.21 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 71.03 1f97 s THR 203 CO 0.24 -0.04 2.16 0.00 -0.54 0.00 0.00 174.62 176.44 1f97 h ALA 204 N 1.90 1.97 0.00 3.99 0.00 -1.96 -1.37 119.26 123.78 1f97 h ALA 204 Ca -0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1f97 h ALA 204 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1f97 h ALA 204 CO 0.77 -0.02 -0.12 0.35 0.00 0.00 0.00 179.25 180.23 1f97 h PHE 205 N 0.00 0.00 0.00 0.00 3.57 -1.95 -2.16 116.94 116.40 1f97 h PHE 205 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1f97 h PHE 205 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1f97 h PHE 205 CO 0.00 0.12 0.00 -0.25 -2.23 0.00 0.00 178.31 175.95 1f97 n ASP 206 N -4.02 0.00 -4.73 0.41 8.00 -0.52 -4.78 116.55 110.91 1f97 n ASP 206 Ca -0.02 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 1f97 n ASP 206 Cb 0.21 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 1f97 n ASP 206 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1f97 s SER 207 N -2.75 6.69 0.00 -2.24 0.15 -0.82 -4.91 113.70 109.83 1f97 s SER 207 Ca 0.18 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1f97 s SER 207 Cb 0.16 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1f97 s SER 207 CO 0.39 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1f97 n GLY 208 N 2.87 -1.56 3.52 9.45 0.00 -0.51 -4.99 105.19 113.96 1f97 n GLY 208 Ca 0.09 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 1f97 n GLY 208 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f97 s GLU 209 N -1.47 3.75 0.14 1.61 2.12 -1.26 -0.24 118.70 123.35 1f97 s GLU 209 Ca 0.00 -0.43 0.09 0.00 0.36 0.00 0.00 54.97 54.99 1f97 s GLU 209 Cb 0.00 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1f97 s GLU 209 CO 0.00 -0.22 -0.18 0.71 -0.54 0.00 0.00 175.26 175.03 1f97 s TYR 210 N 1.69 2.50 0.12 5.30 1.51 0.63 -0.25 117.35 128.85 1f97 s TYR 210 Ca 0.06 -0.28 -0.21 0.00 -1.01 0.00 0.00 57.07 55.64 1f97 s TYR 210 Cb -0.16 -1.30 0.06 0.00 -0.11 0.00 0.00 41.96 40.45 1f97 s TYR 210 CO 0.08 0.43 0.53 1.52 -1.11 0.00 0.00 175.55 176.99 1f97 s TYR 211 N -1.33 -0.43 0.30 2.71 -0.85 -1.04 -0.84 117.35 115.88 1f97 s TYR 211 Ca 0.19 0.26 0.03 0.00 -0.52 0.00 0.00 57.07 57.03 1f97 s TYR 211 Cb -0.10 0.43 -0.05 0.00 0.38 0.00 0.00 41.96 42.62 1f97 s TYR 211 CO 0.11 -0.76 0.09 0.00 -1.52 0.00 0.00 175.55 173.47 1f97 s GLN 213 N -3.92 0.42 -0.00 0.00 -2.07 -0.78 -0.39 119.66 112.91 1f97 s GLN 213 Ca 0.36 -0.56 0.08 0.00 -1.82 0.00 0.00 55.36 53.42 1f97 s GLN 213 Cb 0.07 -0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 31.77 1f97 s GLN 213 CO 0.15 0.03 -0.25 0.00 -1.32 0.00 0.00 175.29 173.90 1f97 s ALA 214 N -1.05 2.13 -0.02 2.60 0.00 0.23 -2.34 121.76 123.31 1f97 s ALA 214 Ca -0.08 -1.13 -0.21 0.00 0.00 0.00 0.00 51.96 50.53 1f97 s ALA 214 Cb -0.08 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1f97 s ALA 214 CO -0.00 0.52 0.47 1.14 0.00 0.00 0.00 175.76 177.88 1f97 s GLN 215 N -0.75 0.85 -0.02 0.00 -2.07 -0.90 -1.48 119.66 115.29 1f97 s GLN 215 Ca 0.10 -0.04 0.14 0.00 -1.82 0.00 0.00 55.36 53.74 1f97 s GLN 215 Cb -0.10 0.39 0.25 0.00 -1.09 0.00 0.00 33.01 32.46 1f97 s GLN 215 CO -0.00 -0.26 1.10 0.27 -1.32 0.00 0.00 175.29 175.08 1f97 n ASN 216 N 1.03 0.74 0.00 12.60 6.94 -1.26 -0.98 115.26 134.33 1f97 n ASN 216 Ca -0.20 -2.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.14 1f97 n ASN 216 Cb 0.57 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1f97 n ASN 216 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f97 n GLY 217 N 0.05 0.61 3.02 4.83 0.00 -1.26 -4.75 105.19 107.69 1f97 n GLY 217 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1f97 n GLY 217 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f97 s TYR 218 N -2.76 1.26 0.00 1.61 5.04 -1.26 -5.05 117.35 116.20 1f97 s TYR 218 Ca 0.00 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1f97 s TYR 218 Cb 0.00 -0.92 0.00 0.00 0.35 0.00 0.00 41.96 41.39 1f97 s TYR 218 CO 0.00 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 1f97 n GLY 219 N 3.62 0.79 3.27 8.97 0.00 -1.26 -4.47 105.19 116.10 1f97 n GLY 219 Ca -0.21 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 1f97 n GLY 219 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f97 s THR 220 N 0.00 1.72 0.58 2.61 -1.32 -1.26 -5.06 115.64 112.90 1f97 s THR 220 Ca 0.00 -1.37 -0.19 0.00 -1.21 0.00 0.00 61.69 58.93 1f97 s THR 220 Cb 0.00 -1.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.43 1f97 s THR 220 CO 0.00 0.09 1.15 0.00 -2.21 0.00 0.00 174.62 173.65 1f97 s ALA 221 N -0.96 2.61 0.01 11.08 0.00 -1.26 -4.64 121.76 128.59 1f97 s ALA 221 Ca 0.07 0.83 0.07 0.00 0.00 0.00 0.00 51.96 52.94 1f97 s ALA 221 Cb -0.09 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1f97 s ALA 221 CO 0.03 -0.97 -0.22 -1.64 0.00 0.00 0.00 175.76 172.95 1f97 s MET 222 N -3.43 1.69 0.21 0.00 -1.94 -0.55 -4.96 119.30 110.32 1f97 s MET 222 Ca 0.73 -0.87 0.06 0.00 -1.71 0.00 0.00 55.69 53.91 1f97 s MET 222 Cb -0.25 -1.70 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1f97 s MET 222 CO 0.31 0.46 0.16 -0.98 -0.01 0.00 0.00 175.02 174.96 1f97 s ARG 223 N -0.77 2.88 0.59 2.03 1.70 -1.26 -0.60 118.95 123.52 1f97 s ARG 223 Ca 0.09 -0.99 0.09 0.00 -0.47 0.00 0.00 55.73 54.44 1f97 s ARG 223 Cb -0.09 -2.58 0.09 0.00 -0.57 0.00 0.00 34.95 31.81 1f97 s ARG 223 CO 0.00 0.43 0.81 -1.54 -1.08 0.00 0.00 175.30 173.93 1f97 s SER 224 N -3.52 5.03 0.63 -2.89 1.04 0.47 -4.44 113.70 110.03 1f97 s SER 224 Ca 0.32 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 55.81 1f97 s SER 224 Cb -0.09 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1f97 s SER 224 CO 0.24 -1.40 1.04 -1.61 0.98 0.00 0.00 173.24 172.49 1f97 s GLU 225 N -4.71 3.46 0.31 4.02 0.41 -1.26 -4.64 118.70 116.28 1f97 s GLU 225 Ca 0.62 0.81 -0.08 0.00 -0.41 0.00 0.00 54.97 55.92 1f97 s GLU 225 Cb -0.06 -2.06 -0.06 0.00 -1.78 0.00 0.00 34.13 30.17 1f97 s GLU 225 CO 0.40 -0.68 0.62 0.00 -0.49 0.00 0.00 175.26 175.10 1f97 s ALA 226 N -3.12 3.53 -0.10 5.21 0.00 -1.26 -4.61 121.76 121.41 1f97 s ALA 226 Ca 0.56 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 1f97 s ALA 226 Cb -0.12 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.58 1f97 s ALA 226 CO 0.53 0.23 0.26 0.00 0.00 0.00 0.00 175.76 176.78 1f97 s ALA 227 N -2.11 -0.65 -0.09 0.00 0.00 -0.02 -4.96 121.76 113.93 1f97 s ALA 227 Ca 0.47 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 1f97 s ALA 227 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1f97 s ALA 227 CO 0.28 -0.13 0.21 -1.58 0.00 0.00 0.00 175.76 174.54 1f97 s HIS 228 N 0.09 3.63 -0.14 0.00 2.46 -1.26 -0.27 115.29 119.80 1f97 s HIS 228 Ca -0.00 0.64 0.01 0.00 0.47 0.00 0.00 55.06 56.18 1f97 s HIS 228 Cb -0.02 -2.03 -0.00 0.00 -0.13 0.00 0.00 32.58 30.40 1f97 s HIS 228 CO 0.00 0.70 -0.18 1.41 -2.47 0.00 0.00 174.74 174.21 1f97 s MET 229 N -1.00 3.18 -0.18 2.88 1.75 0.66 -4.34 119.30 122.26 1f97 s MET 229 Ca 0.17 -0.78 -0.06 0.00 -1.25 0.00 0.00 55.69 53.77 1f97 s MET 229 Cb -0.13 -2.54 -0.04 0.00 2.84 0.00 0.00 34.83 34.96 1f97 s MET 229 CO 0.06 0.07 0.04 0.34 -0.65 0.00 0.00 175.02 174.88 1f97 s ASP 230 N 0.66 5.40 -0.34 1.11 -1.08 0.11 -1.43 116.67 121.09 1f97 s ASP 230 Ca -0.09 0.02 -0.08 0.00 -0.52 0.00 0.00 52.55 51.88 1f97 s ASP 230 Cb -0.16 -1.92 0.03 0.00 -1.46 0.00 0.00 42.92 39.41 1f97 s ASP 230 CO 0.02 0.16 0.13 0.00 0.52 0.00 0.00 175.17 176.00 1f97 s ALA 231 N 0.42 3.11 0.37 3.66 0.00 -1.26 -0.60 121.76 127.46 1f97 s ALA 231 Ca 0.01 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.38 1f97 s ALA 231 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1f97 s ALA 231 CO 0.01 -1.26 0.28 0.14 0.00 0.00 0.00 175.76 174.94 1f97 s VAL 232 N 1.46 3.00 0.04 0.00 -7.23 -0.31 -4.76 120.40 112.60 1f97 s VAL 232 Ca 0.00 -1.46 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 1f97 s VAL 232 Cb -0.19 -3.06 -0.29 0.00 0.56 0.00 0.00 36.38 33.40 1f97 s VAL 232 CO 0.04 -0.10 0.99 -0.33 -0.31 0.00 0.00 175.10 175.40 1f97 h GLU 233 N 1.25 0.30 -6.55 4.82 5.08 -1.92 0.73 114.58 118.28 1f97 h GLU 233 Ca -0.43 -0.51 -0.45 0.00 -1.00 0.00 0.00 59.36 56.97 1f97 h GLU 233 Cb 1.26 0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.72 1f97 h GLU 233 CO 0.60 1.20 -0.19 -0.51 -1.00 0.00 0.00 179.01 179.11 1f97 s LEU 234 N -7.13 3.75 0.24 1.33 1.43 -1.26 -4.54 118.68 112.51 1f97 s LEU 234 Ca -0.07 0.06 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 1f97 s LEU 234 Cb 0.07 -2.96 -0.14 0.00 0.03 0.00 0.00 46.19 43.18 1f97 s LEU 234 CO 0.88 -0.63 1.22 0.59 0.23 0.00 0.00 176.35 178.64 1f97 n ASN 235 N -1.92 1.96 -4.87 2.29 4.13 -1.26 -4.67 115.26 110.93 1f97 n ASN 235 Ca 0.01 1.16 -0.35 0.00 1.68 0.00 0.00 54.58 57.08 1f97 n ASN 235 Cb 0.58 -1.33 -0.05 0.00 -1.54 0.00 0.00 39.78 37.43 1f97 n ASN 235 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1f97 s VAL 236 N -0.45 5.17 0.00 2.41 1.01 -1.26 -4.41 120.40 122.87 1f97 s VAL 236 Ca 0.66 0.39 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1f97 s VAL 236 Cb -0.72 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1f97 s VAL 236 CO 0.54 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.62 1f97 n GLY 237 N 1.14 0.47 3.85 4.51 0.00 -1.26 -5.06 105.19 108.83 1f97 n GLY 237 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1f97 n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93