#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fn0 s LEU 4 N 0.00 4.31 -0.23 -1.84 1.43 -1.26 -1.62 118.68 119.47 3fn0 s LEU 4 Ca 0.00 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 3fn0 s LEU 4 Cb 0.00 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 44.09 3fn0 s LEU 4 CO 0.00 0.28 -0.12 -0.89 0.23 0.00 0.00 176.35 175.85 3fn0 s THR 5 N -0.34 2.38 -0.09 5.49 2.01 0.38 -4.54 115.64 120.93 3fn0 s THR 5 Ca 0.13 -1.22 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 3fn0 s THR 5 Cb -0.12 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 3fn0 s THR 5 CO 0.03 0.22 0.22 -1.10 -0.69 0.00 0.00 174.62 173.30 3fn0 s GLN 6 N 1.23 3.62 -0.05 4.92 -0.21 -1.26 -1.35 119.66 126.55 3fn0 s GLN 6 Ca -0.02 0.03 -0.18 0.00 0.02 0.00 0.00 55.36 55.21 3fn0 s GLN 6 Cb -0.17 -3.21 0.04 0.00 1.00 0.00 0.00 33.01 30.67 3fn0 s GLN 6 CO -0.07 0.73 0.40 0.45 -2.12 0.00 0.00 175.29 174.68 3fn0 s SER 7 N -0.96 -0.33 0.95 5.90 0.15 -1.12 -4.54 113.70 113.74 3fn0 s SER 7 Ca 0.17 0.38 -0.15 0.00 0.70 0.00 0.00 55.95 57.05 3fn0 s SER 7 Cb -0.13 0.49 0.18 0.00 -1.71 0.00 0.00 66.02 64.84 3fn0 s SER 7 CO 0.06 -0.41 1.27 -2.16 1.20 0.00 0.00 173.24 173.21 3fn0 s PRO 8 N -0.94 0.75 0.27 5.44 0.04 -1.26 -2.62 135.00 136.67 3fn0 s PRO 8 Ca -0.10 -0.24 0.04 0.00 0.04 0.00 0.00 61.00 60.73 3fn0 s PRO 8 Cb -0.04 -1.84 0.37 0.00 0.04 0.00 0.00 34.50 33.03 3fn0 s PRO 8 CO 0.04 -2.37 1.67 0.00 0.04 0.00 0.00 177.00 176.38 3fn0 h ALA 9 N -1.61 1.02 -3.77 8.56 0.00 -1.86 -3.43 119.26 118.18 3fn0 h ALA 9 Ca -0.45 -0.41 -0.29 0.00 0.00 0.00 0.00 54.91 53.75 3fn0 h ALA 9 Cb 1.26 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.68 3fn0 h ALA 9 CO 0.44 0.60 -0.74 0.99 0.00 0.00 0.00 179.25 180.54 3fn0 s THR 10 N -4.21 0.32 -0.09 0.00 2.01 -1.26 -0.91 115.64 111.50 3fn0 s THR 10 Ca -0.06 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.71 3fn0 s THR 10 Cb 0.13 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.35 3fn0 s THR 10 CO 0.79 0.02 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.75 3fn0 s LEU 11 N -0.27 2.06 -0.25 4.42 1.43 0.27 -4.92 118.68 121.41 3fn0 s LEU 11 Ca -0.00 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3fn0 s LEU 11 Cb -0.03 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.86 3fn0 s LEU 11 CO -0.00 0.16 -0.05 -0.44 0.23 0.00 0.00 176.35 176.25 3fn0 s SER 12 N 0.30 4.39 0.08 2.29 0.01 -1.26 -0.76 113.70 118.75 3fn0 s SER 12 Ca -0.17 -0.89 -0.02 0.00 1.31 0.00 0.00 55.95 56.19 3fn0 s SER 12 Cb -0.17 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 3fn0 s SER 12 CO 0.08 -0.14 0.02 -0.76 0.41 0.00 0.00 173.24 172.85 3fn0 s LEU 13 N 1.33 2.15 0.16 2.44 1.43 -0.82 -4.66 118.68 120.71 3fn0 s LEU 13 Ca -0.00 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 3fn0 s LEU 13 Cb -0.17 0.33 -0.07 0.00 0.03 0.00 0.00 46.19 46.32 3fn0 s LEU 13 CO -0.04 -0.66 0.51 -0.44 0.23 0.00 0.00 176.35 175.96 3fn0 s SER 14 N -2.95 6.71 0.10 2.29 0.01 -1.26 -1.11 113.70 117.49 3fn0 s SER 14 Ca 0.12 0.95 -0.35 0.00 1.31 0.00 0.00 55.95 57.98 3fn0 s SER 14 Cb 0.07 -2.24 -0.15 0.00 0.21 0.00 0.00 66.02 63.92 3fn0 s SER 14 CO -0.07 0.05 1.52 -2.65 0.41 0.00 0.00 173.24 172.51 3fn0 n PRO 15 N 0.48 1.76 0.00 12.44 -0.02 -1.26 -0.51 135.00 147.89 3fn0 n PRO 15 Ca -0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3fn0 n PRO 15 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3fn0 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fn0 n GLY 16 N 3.19 2.09 3.92 -1.23 0.00 0.19 -4.90 105.19 108.46 3fn0 n GLY 16 Ca 0.18 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 3fn0 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fn0 s GLU 17 N 0.00 2.32 -0.04 1.61 2.02 0.33 -4.06 118.70 120.89 3fn0 s GLU 17 Ca 0.00 -0.15 -0.21 0.00 0.02 0.00 0.00 54.97 54.62 3fn0 s GLU 17 Cb 0.00 -2.16 -0.05 0.00 0.10 0.00 0.00 34.13 32.02 3fn0 s GLU 17 CO 0.00 -1.17 0.62 0.50 0.02 0.00 0.00 175.26 175.23 3fn0 s ARG 18 N -5.24 4.37 -0.15 1.61 3.52 -1.25 -0.59 118.95 121.23 3fn0 s ARG 18 Ca 0.59 0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 56.92 3fn0 s ARG 18 Cb -0.11 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3fn0 s ARG 18 CO 0.45 0.23 -0.05 0.00 -0.81 0.00 0.00 175.30 175.12 3fn0 s ALA 19 N 0.28 2.96 -0.20 6.12 0.00 -0.52 -4.97 121.76 125.43 3fn0 s ALA 19 Ca 0.33 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3fn0 s ALA 19 Cb -0.18 -1.50 0.04 0.00 0.00 0.00 0.00 23.12 21.48 3fn0 s ALA 19 CO 0.17 0.25 -0.14 0.99 0.00 0.00 0.00 175.76 177.02 3fn0 s THR 20 N 0.27 1.92 -0.09 0.00 2.01 -1.26 -1.00 115.64 117.49 3fn0 s THR 20 Ca -0.04 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 60.86 3fn0 s THR 20 Cb -0.14 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 3fn0 s THR 20 CO 0.03 0.27 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.35 3fn0 s LEU 21 N 1.29 2.82 0.01 4.42 1.02 0.60 -4.87 118.68 123.96 3fn0 s LEU 21 Ca -0.00 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 53.94 3fn0 s LEU 21 Cb -0.16 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 3fn0 s LEU 21 CO -0.09 0.26 0.02 -0.55 0.02 0.00 0.00 176.35 176.01 3fn0 s SER 22 N -0.24 5.20 -0.09 2.29 0.15 -1.08 -0.83 113.70 119.11 3fn0 s SER 22 Ca 0.02 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.62 3fn0 s SER 22 Cb -0.13 -1.37 0.05 0.00 -1.71 0.00 0.00 66.02 62.86 3fn0 s SER 22 CO 0.03 0.26 0.17 0.00 1.20 0.00 0.00 173.24 174.90 3fn0 s ARG 24 N 2.14 3.39 -0.02 0.00 3.52 -0.46 -0.88 118.95 126.63 3fn0 s ARG 24 Ca 0.01 -0.67 -0.13 0.00 -0.13 0.00 0.00 55.73 54.81 3fn0 s ARG 24 Cb -0.12 -2.70 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 3fn0 s ARG 24 CO -0.06 0.14 0.35 0.00 -0.81 0.00 0.00 175.30 174.92 3fn0 s ALA 25 N 0.54 3.74 0.19 6.12 0.00 -0.24 -0.47 121.76 131.65 3fn0 s ALA 25 Ca -0.08 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 3fn0 s ALA 25 Cb -0.15 -2.30 0.12 0.00 0.00 0.00 0.00 23.12 20.79 3fn0 s ALA 25 CO 0.04 0.51 1.74 0.77 0.00 0.00 0.00 175.76 178.82 3fn0 h SER 26 N 4.76 0.98 -3.87 0.00 0.02 -1.62 -3.44 113.55 110.38 3fn0 h SER 26 Ca -0.52 -0.19 -0.54 0.00 -0.84 0.00 0.00 61.79 59.70 3fn0 h SER 26 Cb 1.22 -0.26 -0.20 0.00 0.14 0.00 0.00 62.40 63.31 3fn0 h SER 26 CO 0.61 0.90 -0.80 -1.10 -1.14 0.00 0.00 176.83 175.30 3fn0 s GLN 27 N -5.50 1.20 0.45 3.45 -1.52 -1.26 -4.98 119.66 111.49 3fn0 s GLN 27 Ca -0.12 -1.28 -0.25 0.00 -1.95 0.00 0.00 55.36 51.75 3fn0 s GLN 27 Cb 0.14 -1.36 -0.08 0.00 -0.22 0.00 0.00 33.01 31.50 3fn0 s GLN 27 CO 0.82 0.30 1.33 0.45 -0.25 0.00 0.00 175.29 177.94 3fn0 s SER 28 N -2.29 6.01 -0.08 5.90 0.15 -1.26 -4.87 113.70 117.27 3fn0 s SER 28 Ca 0.11 2.70 0.11 0.00 0.70 0.00 0.00 55.95 59.57 3fn0 s SER 28 Cb -0.08 -2.64 0.17 0.00 -1.71 0.00 0.00 66.02 61.76 3fn0 s SER 28 CO 0.05 -1.06 1.06 1.33 1.20 0.00 0.00 173.24 175.82 3fn0 n VAL 29 N -0.22 1.24 -3.49 4.45 0.24 0.05 -5.01 118.33 115.58 3fn0 n VAL 29 Ca 0.06 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 3fn0 n VAL 29 Cb 0.44 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3fn0 n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fn0 n GLY 30 N -0.91 2.42 1.43 7.63 0.00 -1.26 -1.85 105.19 112.64 3fn0 n GLY 30 Ca 0.09 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.77 3fn0 n GLY 30 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fn0 n ARG 31 N 13.47 3.13 -0.78 1.61 0.00 -1.26 -0.35 116.66 132.49 3fn0 n ARG 31 Ca 0.00 -2.65 -0.13 0.00 -0.00 0.00 0.00 57.85 55.08 3fn0 n ARG 31 Cb 0.00 -1.71 0.03 0.00 -0.00 0.00 0.00 32.46 30.78 3fn0 n ARG 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3fn0 n ASN 32 N 1.33 5.98 -4.74 2.89 4.13 -0.77 -1.78 115.26 122.29 3fn0 n ASN 32 Ca 0.24 -2.89 -0.34 0.00 1.68 0.00 0.00 54.58 53.27 3fn0 n ASN 32 Cb 0.73 -1.04 -0.08 0.00 -1.54 0.00 0.00 39.78 37.85 3fn0 n ASN 32 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3fn0 s LEU 33 N -1.40 3.79 0.14 3.41 0.20 -1.26 -3.64 118.68 119.91 3fn0 s LEU 33 Ca 0.24 0.17 0.09 0.00 0.69 0.00 0.00 54.13 55.32 3fn0 s LEU 33 Cb 0.19 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3fn0 s LEU 33 CO 0.00 0.33 -0.16 -0.83 -0.29 0.00 0.00 176.35 175.41 3fn0 s GLY 34 N -1.30 1.71 -0.08 7.98 0.00 0.12 -1.31 107.32 114.45 3fn0 s GLY 34 Ca 0.18 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.49 3fn0 s GLY 34 CO 0.08 -1.41 -0.09 -0.98 0.00 0.00 0.00 173.10 170.69 3fn0 s TRP 35 N -1.38 2.88 0.07 1.90 0.52 0.39 -1.64 118.94 121.68 3fn0 s TRP 35 Ca 0.21 -0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.29 3fn0 s TRP 35 Cb -0.10 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3fn0 s TRP 35 CO 0.12 0.20 -0.22 0.71 0.02 0.00 0.00 176.95 177.78 3fn0 s TYR 36 N -0.54 1.93 -0.09 -1.98 2.02 0.11 -0.90 117.35 117.89 3fn0 s TYR 36 Ca 0.08 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3fn0 s TYR 36 Cb -0.12 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3fn0 s TYR 36 CO 0.02 0.16 -0.11 -1.14 -1.57 0.00 0.00 175.55 172.92 3fn0 s GLN 37 N -1.53 3.00 -0.09 -0.62 0.74 -0.33 -0.45 119.66 120.38 3fn0 s GLN 37 Ca 0.09 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 54.86 3fn0 s GLN 37 Cb -0.09 -2.58 0.02 0.00 1.10 0.00 0.00 33.01 31.46 3fn0 s GLN 37 CO 0.03 0.45 -0.05 -1.14 -0.55 0.00 0.00 175.29 174.03 3fn0 s GLN 38 N -0.25 1.20 0.09 1.67 0.74 0.11 -0.82 119.66 122.41 3fn0 s GLN 38 Ca 0.02 -0.14 -0.04 0.00 0.05 0.00 0.00 55.36 55.26 3fn0 s GLN 38 Cb -0.13 -1.34 -0.05 0.00 1.10 0.00 0.00 33.01 32.59 3fn0 s GLN 38 CO 0.03 -0.25 0.30 0.15 -0.55 0.00 0.00 175.29 174.97 3fn0 s LYS 39 N 1.70 3.56 0.28 1.67 1.02 -1.26 -1.54 119.74 125.16 3fn0 s LYS 39 Ca 0.03 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.53 3fn0 s LYS 39 Cb -0.13 -2.95 -0.12 0.00 -0.52 0.00 0.00 37.83 34.11 3fn0 s LYS 39 CO -0.06 0.55 1.59 -2.30 -0.92 0.00 0.00 175.35 174.21 3fn0 n PRO 40 N 0.36 2.66 -1.36 -1.68 -0.02 -1.26 -0.95 135.00 132.75 3fn0 n PRO 40 Ca -0.05 0.95 -0.12 0.00 -2.02 0.00 0.00 63.50 62.25 3fn0 n PRO 40 Cb 0.52 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 3fn0 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fn0 n GLY 41 N 2.28 1.27 3.39 -1.23 0.00 -1.26 -5.00 105.19 104.64 3fn0 n GLY 41 Ca 0.09 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 3fn0 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fn0 s GLN 42 N -2.95 1.44 0.64 1.61 -0.21 -0.12 -5.13 119.66 114.94 3fn0 s GLN 42 Ca 0.00 -1.55 -0.17 0.00 0.02 0.00 0.00 55.36 53.66 3fn0 s GLN 42 Cb 0.00 -1.53 -0.01 0.00 1.00 0.00 0.00 33.01 32.47 3fn0 s GLN 42 CO 0.00 0.30 1.18 0.00 -2.12 0.00 0.00 175.29 174.65 3fn0 s ALA 43 N -2.21 2.42 0.76 6.09 0.00 -1.26 -4.51 121.76 123.04 3fn0 s ALA 43 Ca 0.21 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 3fn0 s ALA 43 Cb -0.05 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3fn0 s ALA 43 CO 0.09 -1.35 0.95 -2.30 0.00 0.00 0.00 175.76 173.15 3fn0 n PRO 44 N -2.05 0.36 -4.11 0.00 -0.02 -1.26 -4.56 135.00 123.35 3fn0 n PRO 44 Ca 0.13 0.18 -0.15 0.00 -2.02 0.00 0.00 63.50 61.64 3fn0 n PRO 44 Cb 0.50 -2.22 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 3fn0 n PRO 44 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3fn0 s ARG 45 N -3.50 0.61 0.30 -0.52 1.70 0.00 -4.95 118.95 112.59 3fn0 s ARG 45 Ca 0.72 -0.77 -0.29 0.00 -0.47 0.00 0.00 55.73 54.92 3fn0 s ARG 45 Cb -0.32 -0.47 -0.11 0.00 -0.57 0.00 0.00 34.95 33.48 3fn0 s ARG 45 CO 0.52 0.10 1.48 -1.17 -1.08 0.00 0.00 175.30 175.15 3fn0 s LEU 46 N -1.49 4.37 0.04 -1.89 2.96 -1.26 -1.19 118.68 120.22 3fn0 s LEU 46 Ca -0.07 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 3fn0 s LEU 46 Cb -0.09 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3fn0 s LEU 46 CO 0.01 -0.78 0.00 -0.11 -1.32 0.00 0.00 176.35 174.15 3fn0 n LEU 47 N 1.72 0.47 -3.88 -0.68 7.94 -0.08 -4.75 117.00 117.73 3fn0 n LEU 47 Ca 0.05 0.06 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 3fn0 n LEU 47 Cb 0.39 -0.14 -0.14 0.00 0.53 0.00 0.00 43.42 44.06 3fn0 n LEU 47 CO 0.62 -0.33 -0.37 -0.63 -1.11 0.00 0.00 177.39 175.57 3fn0 s ILE 48 N -2.00 0.10 0.09 1.96 -1.09 -0.98 -1.35 121.20 117.94 3fn0 s ILE 48 Ca 0.00 -0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 3fn0 s ILE 48 Cb 0.00 -0.11 -0.04 0.00 -1.58 0.00 0.00 42.46 40.73 3fn0 s ILE 48 CO 0.00 0.04 -0.09 -0.72 -1.23 0.00 0.00 174.94 172.94 3fn0 s TYR 49 N 0.10 0.98 -1.55 3.97 -0.85 -0.23 -0.46 117.35 119.30 3fn0 s TYR 49 Ca -0.01 -0.70 -0.14 0.00 -0.52 0.00 0.00 57.07 55.70 3fn0 s TYR 49 Cb -0.02 -0.55 0.10 0.00 0.38 0.00 0.00 41.96 41.87 3fn0 s TYR 49 CO -0.00 -0.04 0.96 -0.25 -1.52 0.00 0.00 175.55 174.69 3fn0 n ASP 50 N 0.51 -4.68 0.00 -0.18 8.00 -1.10 -1.25 116.55 117.86 3fn0 n ASP 50 Ca -0.16 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3fn0 n ASP 50 Cb 0.58 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 3fn0 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fn0 n ALA 51 N -4.63 0.00 -0.53 2.24 0.00 -0.43 -4.22 120.51 112.95 3fn0 n ALA 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3fn0 n ALA 51 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3fn0 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fn0 n SER 52 N 2.14 0.37 -4.57 0.00 3.41 -1.21 -3.19 113.62 110.57 3fn0 n SER 52 Ca 0.00 -0.92 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 3fn0 n SER 52 Cb 0.00 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 3fn0 n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3fn0 s ASN 53 N -0.04 6.43 0.26 4.04 0.01 -0.38 -4.49 114.94 120.77 3fn0 s ASN 53 Ca 0.00 0.13 -0.31 0.00 -0.71 0.00 0.00 52.86 51.98 3fn0 s ASN 53 Cb 0.00 -2.33 -0.13 0.00 0.41 0.00 0.00 41.25 39.20 3fn0 s ASN 53 CO 0.00 -0.61 1.44 0.54 -1.51 0.00 0.00 177.10 176.96 3fn0 n ARG 54 N 6.06 2.20 -1.08 -0.60 1.74 -1.26 -1.07 116.66 122.66 3fn0 n ARG 54 Ca -0.01 0.78 -0.29 0.00 -0.77 0.00 0.00 57.85 57.56 3fn0 n ARG 54 Cb 0.49 -2.46 0.16 0.00 -1.02 0.00 0.00 32.46 29.63 3fn0 n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fn0 s ALA 55 N -0.16 1.12 0.10 7.54 0.00 -0.45 -4.85 121.76 125.06 3fn0 s ALA 55 Ca 0.66 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 3fn0 s ALA 55 Cb -0.60 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.22 3fn0 s ALA 55 CO 0.51 -2.70 1.86 0.99 0.00 0.00 0.00 175.76 176.41 3fn0 s THR 56 N -2.86 2.66 0.00 0.00 2.01 -1.26 -2.26 115.64 113.94 3fn0 s THR 56 Ca 0.65 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.71 3fn0 s THR 56 Cb -0.19 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.28 3fn0 s THR 56 CO 0.58 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3fn0 n GLY 57 N 4.30 3.19 3.69 4.40 0.00 -1.26 -5.03 105.19 114.48 3fn0 n GLY 57 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3fn0 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fn0 s ILE 58 N -2.31 2.57 0.25 -0.61 -1.09 -0.96 -4.93 121.20 114.13 3fn0 s ILE 58 Ca 0.00 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.18 3fn0 s ILE 58 Cb 0.00 -3.03 -0.15 0.00 -1.58 0.00 0.00 42.46 37.70 3fn0 s ILE 58 CO 0.00 -0.00 0.93 -2.65 -1.23 0.00 0.00 174.94 171.99 3fn0 n PRO 59 N 5.83 1.04 0.17 2.79 -0.02 -1.26 -4.85 135.00 138.69 3fn0 n PRO 59 Ca 0.18 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 3fn0 n PRO 59 Cb 0.38 -1.68 0.62 0.00 -0.02 0.00 0.00 33.50 32.81 3fn0 n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fn0 h ALA 60 N 1.99 1.00 0.00 3.55 0.00 -2.01 -0.83 119.26 122.96 3fn0 h ALA 60 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3fn0 h ALA 60 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3fn0 h ALA 60 CO 0.61 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.75 3fn0 n ARG 61 N -2.32 0.15 -3.39 0.00 1.85 -1.26 -4.60 116.66 107.09 3fn0 n ARG 61 Ca -0.01 0.44 -0.39 0.00 -1.00 0.00 0.00 57.85 56.89 3fn0 n ARG 61 Cb 0.07 -1.82 -0.08 0.00 -1.05 0.00 0.00 32.46 29.58 3fn0 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3fn0 s PHE 62 N -3.30 3.31 0.13 2.89 0.08 -0.32 -1.56 117.98 119.21 3fn0 s PHE 62 Ca 0.03 0.51 0.01 0.00 0.12 0.00 0.00 56.93 57.60 3fn0 s PHE 62 Cb 0.08 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 3fn0 s PHE 62 CO 0.32 -0.12 -0.01 -1.54 -0.10 0.00 0.00 175.22 173.77 3fn0 s SER 63 N 1.34 0.90 0.01 1.36 1.04 -0.52 -4.84 113.70 112.99 3fn0 s SER 63 Ca 0.17 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.50 3fn0 s SER 63 Cb -0.15 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 3fn0 s SER 63 CO 0.09 -0.58 -0.04 -0.83 0.98 0.00 0.00 173.24 172.86 3fn0 s GLY 64 N -3.08 0.26 0.13 7.32 0.00 -1.26 -0.82 107.32 109.87 3fn0 s GLY 64 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 3fn0 s GLY 64 CO -0.01 -0.40 0.04 -1.35 0.00 0.00 0.00 173.10 171.38 3fn0 s SER 65 N -0.75 0.43 0.00 1.64 1.04 -0.05 -4.14 113.70 111.87 3fn0 s SER 65 Ca -0.05 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.19 3fn0 s SER 65 Cb -0.05 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3fn0 s SER 65 CO -0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3fn0 n GLY 66 N -0.10 2.14 3.54 7.32 0.00 -1.26 -1.31 105.19 115.52 3fn0 n GLY 66 Ca -0.06 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 3fn0 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fn0 s SER 67 N 0.00 -0.47 0.00 1.61 1.04 -1.21 -4.84 113.70 109.82 3fn0 s SER 67 Ca 0.00 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.84 3fn0 s SER 67 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3fn0 s SER 67 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3fn0 n GLY 68 N 0.57 2.35 0.00 7.32 0.00 0.53 -3.98 105.19 111.98 3fn0 n GLY 68 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3fn0 n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fn0 n THR 69 N 0.00 0.00 -4.07 2.61 -1.04 -1.26 -0.77 114.28 109.74 3fn0 n THR 69 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3fn0 n THR 69 Cb 0.00 -0.43 -0.15 0.00 -1.82 0.00 0.00 70.33 67.93 3fn0 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3fn0 s ASP 70 N -3.20 3.59 0.10 8.00 1.01 -1.26 -1.08 116.67 123.84 3fn0 s ASP 70 Ca 0.00 -0.54 0.07 0.00 0.71 0.00 0.00 52.55 52.78 3fn0 s ASP 70 Cb 0.00 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.32 3fn0 s ASP 70 CO 0.00 -0.00 -0.17 -0.36 0.21 0.00 0.00 175.17 174.85 3fn0 s PHE 71 N 1.32 1.51 -0.01 4.23 0.40 -0.06 -3.36 117.98 122.01 3fn0 s PHE 71 Ca 0.04 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 3fn0 s PHE 71 Cb -0.14 -0.83 0.00 0.00 0.51 0.00 0.00 43.02 42.57 3fn0 s PHE 71 CO -0.08 0.14 -0.05 0.99 0.70 0.00 0.00 175.22 176.92 3fn0 s THR 72 N -1.38 0.41 -0.18 0.64 2.01 -0.43 -1.42 115.64 115.29 3fn0 s THR 72 Ca 0.04 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 3fn0 s THR 72 Cb -0.09 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 3fn0 s THR 72 CO 0.03 0.13 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.84 3fn0 s LEU 73 N 0.10 3.17 -0.07 4.42 2.96 -0.01 -0.87 118.68 128.39 3fn0 s LEU 73 Ca -0.01 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 3fn0 s LEU 73 Cb -0.05 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3fn0 s LEU 73 CO -0.00 0.11 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.06 3fn0 s THR 74 N 0.70 2.62 -0.35 3.68 2.01 0.00 -0.29 115.64 124.01 3fn0 s THR 74 Ca -0.02 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3fn0 s THR 74 Cb -0.14 -2.02 0.08 0.00 0.01 0.00 0.00 72.50 70.43 3fn0 s THR 74 CO 0.02 0.57 0.09 -0.63 -0.69 0.00 0.00 174.62 173.98 3fn0 s ILE 75 N -0.26 3.04 0.26 1.82 1.01 -0.17 -1.44 121.20 125.47 3fn0 s ILE 75 Ca 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 60.65 58.88 3fn0 s ILE 75 Cb -0.13 -2.94 0.24 0.00 0.01 0.00 0.00 42.46 39.64 3fn0 s ILE 75 CO 0.03 -0.40 1.73 0.77 0.00 0.00 0.00 174.94 177.07 3fn0 h SER 76 N 7.98 0.37 -1.73 3.58 4.64 -1.58 -1.39 113.55 125.42 3fn0 h SER 76 Ca -0.16 0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 3fn0 h SER 76 Cb 1.05 0.08 -0.28 0.00 -0.31 0.00 0.00 62.40 62.93 3fn0 h SER 76 CO 0.60 0.11 -0.46 -0.55 -0.87 0.00 0.00 176.83 175.66 3fn0 s SER 77 N -5.33 0.02 0.33 4.97 0.15 -1.26 -3.79 113.70 108.79 3fn0 s SER 77 Ca -0.12 0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.45 3fn0 s SER 77 Cb 0.22 1.27 -0.10 0.00 -1.71 0.00 0.00 66.02 65.70 3fn0 s SER 77 CO 0.77 -0.30 1.32 -0.76 1.20 0.00 0.00 173.24 175.47 3fn0 s LEU 78 N 2.59 4.42 0.21 3.45 1.43 0.24 -4.68 118.68 126.34 3fn0 s LEU 78 Ca 0.13 2.70 0.06 0.00 -1.03 0.00 0.00 54.13 56.00 3fn0 s LEU 78 Cb -0.15 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 3fn0 s LEU 78 CO -0.19 -0.56 0.14 -1.61 0.23 0.00 0.00 176.35 174.36 3fn0 s GLU 79 N -1.68 2.83 0.29 1.70 0.41 -1.26 0.57 118.70 121.57 3fn0 s GLU 79 Ca 0.50 -1.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.09 3fn0 s GLU 79 Cb -0.40 -2.55 0.73 0.00 -1.78 0.00 0.00 34.13 30.13 3fn0 s GLU 79 CO 0.52 0.44 1.70 -1.35 -0.49 0.00 0.00 175.26 176.08 3fn0 h PRO 80 N 1.97 0.41 0.00 0.39 0.11 -1.97 -0.86 132.00 132.06 3fn0 h PRO 80 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fn0 h PRO 80 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fn0 h PRO 80 CO 0.61 0.27 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 3fn0 n GLU 81 N -5.03 0.23 0.00 1.05 0.00 -1.26 -2.83 120.64 112.81 3fn0 n GLU 81 Ca 0.22 0.13 0.12 0.00 0.00 0.00 0.00 57.16 57.63 3fn0 n GLU 81 Cb 0.65 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.80 3fn0 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3fn0 n ASP 82 N -1.29 1.11 -4.59 -1.84 8.00 -0.33 -4.80 116.55 112.81 3fn0 n ASP 82 Ca 0.08 -0.89 -0.43 0.00 0.71 0.00 0.00 54.79 54.27 3fn0 n ASP 82 Cb 0.14 0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 3fn0 n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3fn0 s PHE 83 N -2.68 2.50 0.08 1.24 0.40 -1.13 -4.85 117.98 113.54 3fn0 s PHE 83 Ca 0.18 0.63 -0.18 0.00 -0.60 0.00 0.00 56.93 56.96 3fn0 s PHE 83 Cb 0.18 -4.38 0.06 0.00 0.51 0.00 0.00 43.02 39.40 3fn0 s PHE 83 CO 0.62 -1.77 0.86 0.00 0.70 0.00 0.00 175.22 175.62 3fn0 n ALA 84 N 8.70 -2.31 -2.80 5.36 0.00 -1.05 -4.95 120.51 123.46 3fn0 n ALA 84 Ca 0.14 -0.72 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 3fn0 n ALA 84 Cb 0.49 0.32 -0.08 0.00 0.00 0.00 0.00 19.45 20.18 3fn0 n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fn0 s VAL 85 N -2.13 4.99 -0.08 0.00 1.01 -0.59 -0.69 120.40 122.91 3fn0 s VAL 85 Ca 0.19 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3fn0 s VAL 85 Cb -0.02 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 3fn0 s VAL 85 CO 0.03 0.61 -0.22 -0.31 0.00 0.00 0.00 175.10 175.20 3fn0 s TYR 86 N -0.91 2.31 0.05 5.22 2.02 0.12 0.09 117.35 126.25 3fn0 s TYR 86 Ca 0.14 -0.87 0.08 0.00 -0.37 0.00 0.00 57.07 56.05 3fn0 s TYR 86 Cb -0.12 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3fn0 s TYR 86 CO 0.03 -0.34 -0.21 0.71 -1.57 0.00 0.00 175.55 174.17 3fn0 s TYR 87 N 0.26 2.47 0.28 2.71 2.02 0.41 -0.25 117.35 125.25 3fn0 s TYR 87 Ca -0.14 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.32 3fn0 s TYR 87 Cb -0.16 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 3fn0 s TYR 87 CO 0.07 0.22 0.25 0.00 -1.57 0.00 0.00 175.55 174.51 3fn0 s GLN 89 N -3.91 0.61 -0.13 0.00 -0.44 -0.65 -0.45 119.66 114.68 3fn0 s GLN 89 Ca 0.36 1.07 -0.01 0.00 -2.50 0.00 0.00 55.36 54.28 3fn0 s GLN 89 Cb -0.07 0.14 0.04 0.00 -1.64 0.00 0.00 33.01 31.47 3fn0 s GLN 89 CO 0.26 -0.13 -0.03 0.00 0.50 0.00 0.00 175.29 175.89 3fn0 s ALA 90 N 1.59 1.17 0.00 1.58 0.00 -1.25 0.16 121.76 125.00 3fn0 s ALA 90 Ca -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3fn0 s ALA 90 Cb -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.09 3fn0 s ALA 90 CO -0.18 -0.66 0.00 0.54 0.00 0.00 0.00 175.76 175.45 3fn0 n ARG 91 N 4.99 0.00 -3.16 0.00 1.74 -1.24 -3.57 116.66 115.42 3fn0 n ARG 91 Ca -0.10 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.68 3fn0 n ARG 91 Cb 0.49 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.88 3fn0 n ARG 91 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3fn0 n LEU 92 N 0.00 4.54 -4.80 0.55 7.94 -1.26 -5.00 117.00 118.97 3fn0 n LEU 92 Ca 0.00 -5.51 -0.38 0.00 -1.11 0.00 0.00 56.01 49.02 3fn0 n LEU 92 Cb 0.00 -0.72 -0.06 0.00 0.53 0.00 0.00 43.42 43.17 3fn0 n LEU 92 CO 0.00 2.13 0.42 -0.76 -1.11 0.00 0.00 177.39 178.06 3fn0 s LEU 93 N -3.00 4.46 0.11 -1.96 1.43 -1.23 -5.04 118.68 113.45 3fn0 s LEU 93 Ca 0.42 1.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.03 3fn0 s LEU 93 Cb 0.19 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 3fn0 s LEU 93 CO -0.05 0.14 -0.11 -0.76 0.23 0.00 0.00 176.35 175.80 3fn0 s LEU 94 N -1.54 2.42 0.37 1.79 1.43 -1.26 -2.41 118.68 119.48 3fn0 s LEU 94 Ca 0.38 -0.84 0.19 0.00 -1.03 0.00 0.00 54.13 52.83 3fn0 s LEU 94 Cb -0.19 -0.35 0.65 0.00 0.03 0.00 0.00 46.19 46.33 3fn0 s LEU 94 CO 0.22 -0.25 1.71 1.55 0.23 0.00 0.00 176.35 179.81 3fn0 h PRO 95 N 3.44 0.00 -4.59 1.29 0.14 -2.02 -3.48 132.00 126.78 3fn0 h PRO 95 Ca -0.38 0.00 -0.69 0.00 0.14 0.00 0.00 66.00 65.07 3fn0 h PRO 95 Cb 1.19 0.00 -0.33 0.00 0.14 0.00 0.00 31.00 32.00 3fn0 h PRO 95 CO 0.54 0.36 -0.60 -0.65 0.14 0.00 0.00 178.00 177.80 3fn0 s GLN 96 N -3.54 2.18 0.21 0.86 -1.52 -1.26 -4.93 119.66 111.67 3fn0 s GLN 96 Ca 0.01 -1.60 0.11 0.00 -1.95 0.00 0.00 55.36 51.93 3fn0 s GLN 96 Cb 0.10 -3.45 0.05 0.00 -0.22 0.00 0.00 33.01 29.49 3fn0 s GLN 96 CO 0.68 -0.90 1.43 1.15 -0.25 0.00 0.00 175.29 177.40 3fn0 h THR 97 N 6.38 1.35 -3.37 -0.19 2.02 -1.84 -3.44 112.91 113.81 3fn0 h THR 97 Ca -0.16 -2.69 -0.65 0.00 0.77 0.00 0.00 66.41 63.68 3fn0 h THR 97 Cb 1.05 2.52 -0.13 0.00 -1.74 0.00 0.00 68.15 69.86 3fn0 h THR 97 CO 0.64 0.72 -0.69 -0.36 0.37 0.00 0.00 175.52 176.21 3fn0 s PHE 98 N -3.01 2.90 1.02 3.16 0.08 -1.26 -3.88 117.98 116.99 3fn0 s PHE 98 Ca 0.01 -0.08 -0.17 0.00 0.12 0.00 0.00 56.93 56.81 3fn0 s PHE 98 Cb 0.10 -1.49 0.25 0.00 -0.57 0.00 0.00 43.02 41.30 3fn0 s PHE 98 CO 0.78 0.47 1.10 0.41 -0.10 0.00 0.00 175.22 177.87 3fn0 n GLY 99 N 0.54 -2.18 0.01 4.36 0.00 0.40 -4.87 105.19 103.46 3fn0 n GLY 99 Ca -0.11 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.43 3fn0 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fn0 n GLN 100 N -4.12 0.02 0.00 1.61 10.64 -1.26 -4.76 117.38 119.51 3fn0 n GLN 100 Ca 0.14 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 3fn0 n GLN 100 Cb 0.53 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 3fn0 n GLN 100 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3fn0 n GLY 101 N 0.86 0.67 3.20 2.61 0.00 -1.26 -5.02 105.19 106.25 3fn0 n GLY 101 Ca 0.05 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 3fn0 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fn0 s THR 102 N -2.31 1.96 -0.19 2.61 2.01 0.65 -4.76 115.64 115.61 3fn0 s THR 102 Ca 0.00 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 60.94 3fn0 s THR 102 Cb 0.00 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 3fn0 s THR 102 CO 0.00 0.54 0.12 -0.75 -0.69 0.00 0.00 174.62 173.84 3fn0 s LYS 103 N 0.33 4.12 -0.33 4.92 2.20 -0.08 -0.70 119.74 130.20 3fn0 s LYS 103 Ca -0.17 -0.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.14 3fn0 s LYS 103 Cb -0.17 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3fn0 s LYS 103 CO 0.08 0.33 0.12 0.08 -0.36 0.00 0.00 175.35 175.60 3fn0 s VAL 104 N 0.27 4.08 0.18 4.02 1.01 0.13 -0.57 120.40 129.53 3fn0 s VAL 104 Ca 0.08 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3fn0 s VAL 104 Cb -0.11 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3fn0 s VAL 104 CO -0.01 -0.10 0.10 -0.70 0.00 0.00 0.00 175.10 174.39 3fn0 s GLU 105 N 1.48 2.76 -0.11 2.72 2.12 0.06 -2.54 118.70 125.19 3fn0 s GLU 105 Ca 0.01 -0.97 -0.30 0.00 0.36 0.00 0.00 54.97 54.07 3fn0 s GLU 105 Cb -0.19 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 3fn0 s GLU 105 CO 0.04 0.46 1.17 0.42 -0.54 0.00 0.00 175.26 176.81 3fn0 s ILE 106 N -1.81 4.38 0.24 -3.70 1.01 -1.26 -1.95 121.20 118.11 3fn0 s ILE 106 Ca 0.30 1.68 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 3fn0 s ILE 106 Cb -0.09 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 3fn0 s ILE 106 CO 0.22 -0.05 0.99 -0.75 0.00 0.00 0.00 174.94 175.35 3fn0 s LYS 107 N 2.59 4.78 0.33 2.79 2.20 -0.26 -4.78 119.74 127.39 3fn0 s LYS 107 Ca 0.53 1.58 0.03 0.00 -0.36 0.00 0.00 55.97 57.75 3fn0 s LYS 107 Cb -0.22 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3fn0 s LYS 107 CO 0.18 0.40 0.36 -0.98 -0.36 0.00 0.00 175.35 174.95 3fn0 s ARG 108 N -1.14 1.81 0.59 4.03 1.70 -1.26 -4.72 118.95 119.96 3fn0 s ARG 108 Ca 0.43 -1.90 -0.17 0.00 -0.47 0.00 0.00 55.73 53.61 3fn0 s ARG 108 Cb -0.28 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.44 3fn0 s ARG 108 CO 0.34 -0.70 1.11 0.95 -1.08 0.00 0.00 175.30 175.92 3fn0 s THR 109 N -3.29 3.26 0.35 4.99 -4.23 -1.26 -4.96 115.64 110.49 3fn0 s THR 109 Ca 0.37 0.68 -0.28 0.00 -1.18 0.00 0.00 61.69 61.28 3fn0 s THR 109 Cb 0.01 -3.22 -0.12 0.00 1.34 0.00 0.00 72.50 70.51 3fn0 s THR 109 CO 0.24 -0.26 1.37 0.52 -0.54 0.00 0.00 174.62 175.95 3fn0 n VAL 110 N -1.80 1.91 -3.72 2.29 0.31 -1.26 -4.76 118.33 111.29 3fn0 n VAL 110 Ca 0.11 -0.48 -0.16 0.00 -0.01 0.00 0.00 64.34 63.80 3fn0 n VAL 110 Cb 0.52 -1.72 -0.16 0.00 -0.91 0.00 0.00 33.84 31.57 3fn0 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fn0 s ALA 111 N -1.01 0.04 0.52 3.52 0.00 -0.40 -4.91 121.76 119.51 3fn0 s ALA 111 Ca 0.56 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 3fn0 s ALA 111 Cb -0.54 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 3fn0 s ALA 111 CO 0.62 -0.28 1.01 0.00 0.00 0.00 0.00 175.76 177.11 3fn0 s ALA 112 N 1.56 2.92 0.36 0.00 0.00 -1.26 -0.53 121.76 124.81 3fn0 s ALA 112 Ca -0.03 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 3fn0 s ALA 112 Cb -0.12 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3fn0 s ALA 112 CO -0.04 -0.39 1.26 -2.14 0.00 0.00 0.00 175.76 174.45 3fn0 s PRO 113 N -3.79 4.23 -0.15 0.00 0.02 -1.26 -4.50 135.00 129.55 3fn0 s PRO 113 Ca 0.62 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 63.56 3fn0 s PRO 113 Cb -0.13 -2.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 3fn0 s PRO 113 CO 0.29 -0.25 0.43 -1.12 -0.33 0.00 0.00 177.00 176.01 3fn0 s SER 114 N -0.72 6.58 -0.07 2.53 0.01 -0.77 -4.83 113.70 116.43 3fn0 s SER 114 Ca 0.52 0.69 0.02 0.00 1.31 0.00 0.00 55.95 58.49 3fn0 s SER 114 Cb -0.37 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 3fn0 s SER 114 CO 0.48 -0.00 -0.13 -0.69 0.41 0.00 0.00 173.24 173.31 3fn0 s VAL 115 N 0.76 3.13 0.00 3.43 1.01 -1.26 -0.64 120.40 126.84 3fn0 s VAL 115 Ca 0.23 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3fn0 s VAL 115 Cb -0.15 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3fn0 s VAL 115 CO 0.08 0.58 -0.04 -0.36 0.00 0.00 0.00 175.10 175.36 3fn0 s PHE 116 N -0.48 0.37 -0.03 5.22 0.40 -0.15 -4.99 117.98 118.31 3fn0 s PHE 116 Ca 0.06 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 3fn0 s PHE 116 Cb -0.12 -0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 3fn0 s PHE 116 CO 0.02 -0.02 -0.22 -1.50 0.70 0.00 0.00 175.22 174.20 3fn0 s ILE 117 N -0.26 2.43 -0.14 0.64 2.07 -1.26 -0.44 121.20 124.24 3fn0 s ILE 117 Ca -0.00 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.26 3fn0 s ILE 117 Cb -0.03 -1.89 0.02 0.00 0.13 0.00 0.00 42.46 40.69 3fn0 s ILE 117 CO -0.00 0.57 -0.13 -0.36 -1.91 0.00 0.00 174.94 173.11 3fn0 s PHE 118 N -0.67 2.04 0.80 3.50 0.08 0.62 -5.01 117.98 119.36 3fn0 s PHE 118 Ca 0.11 -1.11 -0.11 0.00 0.12 0.00 0.00 56.93 55.94 3fn0 s PHE 118 Cb -0.10 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.90 3fn0 s PHE 118 CO -0.00 -0.62 1.10 -2.14 -0.10 0.00 0.00 175.22 173.45 3fn0 s PRO 119 N 1.44 2.01 0.56 0.24 0.02 -1.26 -1.62 135.00 136.39 3fn0 s PRO 119 Ca 0.03 1.15 -0.20 0.00 0.02 0.00 0.00 61.00 62.00 3fn0 s PRO 119 Cb -0.13 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 3fn0 s PRO 119 CO -0.09 -1.81 1.20 -1.25 -0.33 0.00 0.00 177.00 174.71 3fn0 s PRO 120 N -4.89 3.19 0.50 5.54 0.04 -1.21 -4.82 135.00 133.35 3fn0 s PRO 120 Ca 0.62 1.80 -0.19 0.00 0.04 0.00 0.00 61.00 63.28 3fn0 s PRO 120 Cb -0.18 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 3fn0 s PRO 120 CO 0.56 -1.03 1.00 -1.54 0.04 0.00 0.00 177.00 176.04 3fn0 s SER 121 N -1.55 6.49 0.52 6.66 1.04 -1.26 -4.94 113.70 120.67 3fn0 s SER 121 Ca 0.74 1.75 0.21 0.00 0.48 0.00 0.00 55.95 59.13 3fn0 s SER 121 Cb -0.29 -2.54 1.34 0.00 0.10 0.00 0.00 66.02 64.62 3fn0 s SER 121 CO 0.33 -0.68 2.06 0.44 0.98 0.00 0.00 173.24 176.37 3fn0 h ASP 122 N 1.30 0.01 -0.27 7.02 3.45 -1.99 -1.58 116.42 124.37 3fn0 h ASP 122 Ca -0.48 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.98 3fn0 h ASP 122 Cb 1.20 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 3fn0 h ASP 122 CO 0.60 0.00 0.16 -0.33 -1.57 0.00 0.00 179.24 178.11 3fn0 h GLU 123 N 0.01 0.36 -0.23 3.56 3.07 -1.99 -1.00 114.58 118.36 3fn0 h GLU 123 Ca 0.14 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.79 3fn0 h GLU 123 Cb 0.57 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3fn0 h GLU 123 CO -0.00 0.27 -0.58 0.37 -1.40 0.00 0.00 179.01 177.67 3fn0 h GLN 124 N 0.34 0.72 -0.97 2.33 4.15 -1.62 -3.07 115.11 116.98 3fn0 h GLN 124 Ca 0.10 -0.48 0.01 0.00 0.77 0.00 0.00 58.65 59.05 3fn0 h GLN 124 Cb 0.01 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 3fn0 h GLN 124 CO -0.02 1.10 0.65 -0.07 -1.93 0.00 0.00 178.83 178.56 3fn0 h LEU 125 N 0.55 1.12 -1.17 -2.39 3.38 -1.08 -0.63 115.31 115.07 3fn0 h LEU 125 Ca 0.00 -0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.16 3fn0 h LEU 125 Cb 1.17 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 3fn0 h LEU 125 CO 0.12 0.81 0.62 0.11 0.09 0.00 0.00 178.44 180.19 3fn0 h LYS 126 N 1.32 0.58 0.00 1.13 1.57 -1.09 0.21 116.57 120.29 3fn0 h LYS 126 Ca 0.36 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3fn0 h LYS 126 Cb -0.15 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.03 3fn0 h LYS 126 CO -0.08 0.38 0.00 -1.13 -0.57 0.00 0.00 179.45 178.05 3fn0 n SER 127 N -4.71 0.00 0.00 0.86 3.41 -0.26 -4.90 113.62 108.03 3fn0 n SER 127 Ca 0.24 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3fn0 n SER 127 Cb 0.69 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3fn0 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fn0 n GLY 128 N 1.26 0.98 3.09 5.00 0.00 0.74 -5.07 105.19 111.20 3fn0 n GLY 128 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3fn0 n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fn0 s THR 129 N -2.00 0.68 -0.15 2.61 2.01 -1.22 -1.21 115.64 116.37 3fn0 s THR 129 Ca 0.00 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.87 3fn0 s THR 129 Cb 0.00 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.81 3fn0 s THR 129 CO 0.00 -0.34 -0.11 0.00 -0.69 0.00 0.00 174.62 173.48 3fn0 s ALA 130 N -1.34 1.71 -0.19 7.40 0.00 0.70 -3.22 121.76 126.81 3fn0 s ALA 130 Ca -0.08 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3fn0 s ALA 130 Cb -0.10 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 3fn0 s ALA 130 CO 0.01 -0.46 0.04 -1.12 0.00 0.00 0.00 175.76 174.23 3fn0 s SER 131 N 1.55 5.33 -0.18 0.00 0.01 -1.26 -1.33 113.70 117.82 3fn0 s SER 131 Ca 0.04 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.24 3fn0 s SER 131 Cb -0.13 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.17 3fn0 s SER 131 CO -0.10 0.12 -0.06 -0.69 0.41 0.00 0.00 173.24 172.92 3fn0 s VAL 132 N 0.66 3.41 -0.11 3.43 1.01 0.09 -3.31 120.40 125.58 3fn0 s VAL 132 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3fn0 s VAL 132 Cb -0.13 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3fn0 s VAL 132 CO 0.02 0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 174.78 3fn0 s VAL 133 N 0.94 3.25 -0.17 2.92 1.01 -0.64 -0.28 120.40 127.44 3fn0 s VAL 133 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3fn0 s VAL 133 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3fn0 s VAL 133 CO 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 3fn0 s LEU 135 N 0.69 2.96 -0.34 0.00 2.96 0.41 -0.32 118.68 125.04 3fn0 s LEU 135 Ca -0.04 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 3fn0 s LEU 135 Cb -0.15 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.83 3fn0 s LEU 135 CO 0.02 0.07 0.17 -0.76 -1.32 0.00 0.00 176.35 174.53 3fn0 s LEU 136 N 0.94 4.41 -0.11 -0.68 1.02 0.09 -0.98 118.68 123.38 3fn0 s LEU 136 Ca -0.01 -0.86 -0.00 0.00 0.02 0.00 0.00 54.13 53.28 3fn0 s LEU 136 Cb -0.15 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 3fn0 s LEU 136 CO 0.01 -0.31 -0.09 0.21 0.02 0.00 0.00 176.35 176.19 3fn0 s ASN 137 N 1.54 4.37 -1.04 2.29 2.47 0.19 -0.56 114.94 124.20 3fn0 s ASN 137 Ca 0.02 -0.19 -0.08 0.00 0.42 0.00 0.00 52.86 53.03 3fn0 s ASN 137 Cb -0.18 -1.47 -0.05 0.00 -1.45 0.00 0.00 41.25 38.09 3fn0 s ASN 137 CO 0.06 0.23 0.88 0.59 -3.72 0.00 0.00 177.10 175.14 3fn0 n ASN 138 N 3.09 -6.50 -4.49 -4.21 3.02 -0.80 -1.86 115.26 103.53 3fn0 n ASN 138 Ca -0.18 -0.72 -0.24 0.00 -0.03 0.00 0.00 54.58 53.41 3fn0 n ASN 138 Cb 0.53 -4.87 -0.10 0.00 -0.61 0.00 0.00 39.78 34.72 3fn0 n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3fn0 s PHE 139 N -3.37 2.31 -0.23 3.10 -0.71 0.32 -4.63 117.98 114.78 3fn0 s PHE 139 Ca 0.43 -0.38 -0.17 0.00 -1.04 0.00 0.00 56.93 55.76 3fn0 s PHE 139 Cb -0.08 -1.10 0.06 0.00 -1.21 0.00 0.00 43.02 40.70 3fn0 s PHE 139 CO 0.76 0.68 0.59 -0.47 -1.34 0.00 0.00 175.22 175.44 3fn0 s TYR 140 N -2.55 -0.75 0.66 3.49 5.04 0.31 -0.72 117.35 122.84 3fn0 s TYR 140 Ca 0.31 1.68 -0.11 0.00 -2.44 0.00 0.00 57.07 56.50 3fn0 s TYR 140 Cb -0.03 0.33 0.15 0.00 0.35 0.00 0.00 41.96 42.77 3fn0 s TYR 140 CO 0.15 -0.37 0.90 -0.35 -1.34 0.00 0.00 175.55 174.54 3fn0 n PRO 141 N 3.41 -0.85 0.20 4.97 -0.04 -1.26 -1.28 135.00 140.15 3fn0 n PRO 141 Ca -0.17 -1.42 0.06 0.00 -0.04 0.00 0.00 63.50 61.94 3fn0 n PRO 141 Cb 0.57 -0.91 0.38 0.00 -0.04 0.00 0.00 33.50 33.49 3fn0 n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3fn0 h ARG 142 N 0.00 0.00 -6.56 0.54 2.43 -1.99 -3.44 114.38 105.36 3fn0 h ARG 142 Ca -0.29 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.35 3fn0 h ARG 142 Cb 0.81 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.38 3fn0 h ARG 142 CO 0.21 0.34 0.74 -1.21 -1.51 0.00 0.00 179.97 178.54 3fn0 s GLU 143 N -3.69 4.31 -0.10 0.20 8.01 -1.26 -4.97 118.70 121.20 3fn0 s GLU 143 Ca -0.00 2.11 -0.24 0.00 0.01 0.00 0.00 54.97 56.85 3fn0 s GLU 143 Cb 0.11 -3.23 0.06 0.00 -4.31 0.00 0.00 34.13 26.75 3fn0 s GLU 143 CO 0.68 -0.46 0.57 0.00 0.01 0.00 0.00 175.26 176.06 3fn0 s ALA 144 N 1.08 -1.45 -0.06 5.21 0.00 -1.26 -4.65 121.76 120.63 3fn0 s ALA 144 Ca 0.65 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.87 3fn0 s ALA 144 Cb -0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 3fn0 s ALA 144 CO 0.31 -0.32 -0.19 0.21 0.00 0.00 0.00 175.76 175.76 3fn0 s LYS 145 N -0.73 2.62 -0.04 0.00 2.20 -0.47 -5.00 119.74 118.31 3fn0 s LYS 145 Ca -0.08 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.77 3fn0 s LYS 145 Cb -0.03 -2.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.99 3fn0 s LYS 145 CO 0.06 0.46 -0.15 0.54 -0.36 0.00 0.00 175.35 175.89 3fn0 s VAL 146 N -0.33 1.29 -0.00 4.02 0.11 -1.26 -1.44 120.40 122.78 3fn0 s VAL 146 Ca 0.02 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.47 3fn0 s VAL 146 Cb -0.13 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.60 3fn0 s VAL 146 CO 0.02 0.38 -0.10 -1.10 -3.33 0.00 0.00 175.10 170.97 3fn0 s GLN 147 N 0.09 0.76 -0.03 1.54 -0.21 -0.31 -4.97 119.66 116.52 3fn0 s GLN 147 Ca -0.04 -0.39 -0.04 0.00 0.02 0.00 0.00 55.36 54.92 3fn0 s GLN 147 Cb -0.11 -0.73 -0.04 0.00 1.00 0.00 0.00 33.01 33.13 3fn0 s GLN 147 CO 0.02 0.20 0.17 -1.58 -2.12 0.00 0.00 175.29 171.97 3fn0 s TRP 148 N -0.32 3.55 -0.03 0.91 0.52 -1.26 -0.26 118.94 122.04 3fn0 s TRP 148 Ca 0.03 0.39 0.02 0.00 0.02 0.00 0.00 56.10 56.56 3fn0 s TRP 148 Cb -0.04 -1.85 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 3fn0 s TRP 148 CO -0.00 0.66 -0.08 0.15 0.02 0.00 0.00 176.95 177.70 3fn0 s LYS 149 N -1.72 0.88 -0.13 4.98 1.02 -0.24 -1.10 119.74 123.42 3fn0 s LYS 149 Ca 0.24 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 55.97 3fn0 s LYS 149 Cb -0.12 -0.83 0.02 0.00 -0.52 0.00 0.00 37.83 36.37 3fn0 s LYS 149 CO 0.15 0.09 -0.13 0.08 -0.92 0.00 0.00 175.35 174.62 3fn0 s VAL 150 N 0.25 1.42 -1.62 3.17 1.01 0.08 -1.65 120.40 123.06 3fn0 s VAL 150 Ca -0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3fn0 s VAL 150 Cb -0.09 -1.34 0.11 0.00 0.00 0.00 0.00 36.38 35.07 3fn0 s VAL 150 CO 0.00 0.43 0.27 0.47 0.00 0.00 0.00 175.10 176.28 3fn0 n ASP 151 N 4.63 -0.37 0.00 3.32 8.00 0.36 -0.90 116.55 131.60 3fn0 n ASP 151 Ca -0.17 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.13 3fn0 n ASP 151 Cb 0.50 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 3fn0 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3fn0 n ASN 152 N -2.51 0.00 -4.70 -2.24 3.02 -1.26 -5.01 115.26 102.56 3fn0 n ASN 152 Ca -0.11 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.05 3fn0 n ASN 152 Cb 0.55 -0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 3fn0 n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fn0 s ALA 153 N -3.18 3.43 0.22 5.41 0.00 -0.08 -4.99 121.76 122.57 3fn0 s ALA 153 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.63 3fn0 s ALA 153 Cb 0.00 -2.96 -0.11 0.00 0.00 0.00 0.00 23.12 20.05 3fn0 s ALA 153 CO 0.00 -0.27 1.62 -1.17 0.00 0.00 0.00 175.76 175.94 3fn0 s LEU 154 N 1.23 4.37 0.16 0.00 2.96 -1.26 -0.74 118.68 125.39 3fn0 s LEU 154 Ca 0.34 2.79 0.01 0.00 -0.22 0.00 0.00 54.13 57.05 3fn0 s LEU 154 Cb -0.17 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 3fn0 s LEU 154 CO 0.14 -0.89 0.32 -1.10 -1.32 0.00 0.00 176.35 173.50 3fn0 s GLN 155 N 0.61 3.47 -0.22 1.98 -1.52 -0.26 -4.92 119.66 118.81 3fn0 s GLN 155 Ca 0.69 -0.47 -0.20 0.00 -1.95 0.00 0.00 55.36 53.43 3fn0 s GLN 155 Cb -0.47 -2.93 0.06 0.00 -0.22 0.00 0.00 33.01 29.45 3fn0 s GLN 155 CO 0.37 0.49 0.58 -1.54 -0.25 0.00 0.00 175.29 174.94 3fn0 s SER 156 N -3.10 -0.61 0.00 5.90 1.04 -1.26 -4.64 113.70 111.02 3fn0 s SER 156 Ca 0.36 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.97 3fn0 s SER 156 Cb -0.11 1.19 0.00 0.00 0.10 0.00 0.00 66.02 67.19 3fn0 s SER 156 CO 0.28 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.91 3fn0 n GLY 157 N 2.84 1.26 0.59 7.32 0.00 -1.26 -4.89 105.19 111.05 3fn0 n GLY 157 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3fn0 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fn0 n ASN 158 N 0.00 2.85 -4.13 1.61 0.23 -1.26 -5.00 115.26 109.57 3fn0 n ASN 158 Ca 0.00 -3.26 -0.11 0.00 -0.53 0.00 0.00 54.58 50.68 3fn0 n ASN 158 Cb 0.00 -0.51 -0.10 0.00 -2.08 0.00 0.00 39.78 37.08 3fn0 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3fn0 s SER 159 N -2.53 0.95 -0.00 0.53 1.04 -1.26 -1.03 113.70 111.40 3fn0 s SER 159 Ca 0.38 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.95 3fn0 s SER 159 Cb 0.33 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 3fn0 s SER 159 CO 0.04 -0.41 -0.02 -1.10 0.98 0.00 0.00 173.24 172.72 3fn0 s GLN 160 N -3.18 0.17 0.31 4.02 -0.21 -0.72 -4.95 119.66 115.09 3fn0 s GLN 160 Ca 0.05 -0.10 0.11 0.00 0.02 0.00 0.00 55.36 55.44 3fn0 s GLN 160 Cb 0.01 -0.15 -0.06 0.00 1.00 0.00 0.00 33.01 33.82 3fn0 s GLN 160 CO -0.04 0.04 -0.14 -1.83 -2.12 0.00 0.00 175.29 171.20 3fn0 s GLU 161 N -0.11 1.77 -0.04 2.91 -1.05 -1.26 -0.80 118.70 120.11 3fn0 s GLU 161 Ca 0.00 -1.83 -0.12 0.00 -0.15 0.00 0.00 54.97 52.87 3fn0 s GLU 161 Cb -0.01 -1.76 0.02 0.00 -0.44 0.00 0.00 34.13 31.94 3fn0 s GLU 161 CO -0.00 0.24 0.27 0.45 0.95 0.00 0.00 175.26 177.18 3fn0 s SER 162 N -3.56 -0.19 -0.03 0.83 0.15 -0.71 -4.99 113.70 105.20 3fn0 s SER 162 Ca 0.31 0.21 0.03 0.00 0.70 0.00 0.00 55.95 57.21 3fn0 s SER 162 Cb -0.02 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.69 3fn0 s SER 162 CO 0.16 -0.31 -0.13 -0.69 1.20 0.00 0.00 173.24 173.47 3fn0 s VAL 163 N -0.82 1.10 0.82 4.45 1.01 -1.26 -1.34 120.40 124.35 3fn0 s VAL 163 Ca -0.09 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3fn0 s VAL 163 Cb -0.05 -0.95 0.08 0.00 0.00 0.00 0.00 36.38 35.46 3fn0 s VAL 163 CO 0.02 0.33 1.09 0.42 0.00 0.00 0.00 175.10 176.96 3fn0 s THR 164 N 0.10 3.08 0.75 3.92 -4.23 -0.70 -5.00 115.64 113.56 3fn0 s THR 164 Ca -0.03 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.72 3fn0 s THR 164 Cb -0.10 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.83 3fn0 s THR 164 CO 0.01 -0.46 1.08 -1.61 -0.54 0.00 0.00 174.62 173.10 3fn0 s GLU 165 N -5.01 2.45 0.22 3.99 0.41 -1.26 -4.64 118.70 114.85 3fn0 s GLU 165 Ca 0.61 0.79 -0.32 0.00 -0.41 0.00 0.00 54.97 55.65 3fn0 s GLU 165 Cb -0.16 -1.95 -0.14 0.00 -1.78 0.00 0.00 34.13 30.10 3fn0 s GLU 165 CO 0.56 -1.40 1.35 1.04 -0.49 0.00 0.00 175.26 176.31 3fn0 n GLN 166 N -3.31 1.81 -2.26 1.61 6.02 -1.26 -4.79 117.38 115.20 3fn0 n GLN 166 Ca 0.07 0.64 -0.40 0.00 -0.01 0.00 0.00 57.00 57.31 3fn0 n GLN 166 Cb 0.55 -2.26 -0.02 0.00 1.02 0.00 0.00 30.24 29.52 3fn0 n GLN 166 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3fn0 s ASP 167 N 0.22 6.76 0.21 1.08 2.15 0.07 -4.85 116.67 122.31 3fn0 s ASP 167 Ca 0.70 2.46 -0.03 0.00 0.43 0.00 0.00 52.55 56.10 3fn0 s ASP 167 Cb -0.70 -2.63 0.17 0.00 -0.30 0.00 0.00 42.92 39.46 3fn0 s ASP 167 CO 0.50 -0.52 1.58 0.77 -0.17 0.00 0.00 175.17 177.34 3fn0 h SER 168 N 3.15 0.70 0.00 -0.34 4.64 -1.91 -1.09 113.55 118.69 3fn0 h SER 168 Ca -0.48 -0.30 -0.07 0.00 -0.47 0.00 0.00 61.79 60.46 3fn0 h SER 168 Cb 1.23 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3fn0 h SER 168 CO 0.64 0.99 -0.42 0.11 -0.87 0.00 0.00 176.83 177.28 3fn0 h LYS 169 N 0.56 0.00 -0.11 4.77 6.56 -1.99 -3.42 116.57 122.94 3fn0 h LYS 169 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3fn0 h LYS 169 Cb 0.88 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.54 3fn0 h LYS 169 CO 0.08 0.88 0.00 -0.40 -2.06 0.00 0.00 179.45 177.95 3fn0 n ASP 170 N -4.57 2.30 -1.93 0.86 5.68 -1.24 -4.99 116.55 112.66 3fn0 n ASP 170 Ca -0.16 -1.64 -0.19 0.00 -0.50 0.00 0.00 54.79 52.29 3fn0 n ASP 170 Cb 0.50 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.36 3fn0 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3fn0 n SER 171 N 0.69 -5.24 -4.98 -1.12 7.64 -0.41 -4.92 113.62 105.27 3fn0 n SER 171 Ca 0.09 0.28 -0.19 0.00 1.01 0.00 0.00 58.87 60.05 3fn0 n SER 171 Cb 0.35 -4.54 0.04 0.00 -1.01 0.00 0.00 64.21 59.05 3fn0 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fn0 s THR 172 N -2.77 2.56 0.28 0.44 -4.23 -1.26 -4.58 115.64 106.07 3fn0 s THR 172 Ca 0.00 -0.91 0.11 0.00 -1.18 0.00 0.00 61.69 59.71 3fn0 s THR 172 Cb 0.00 -2.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 3fn0 s THR 172 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.66 3fn0 s TYR 173 N -2.60 2.47 0.08 3.99 2.02 0.10 -0.75 117.35 122.66 3fn0 s TYR 173 Ca 0.59 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 3fn0 s TYR 173 Cb -0.08 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 3fn0 s TYR 173 CO 0.37 0.67 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.84 3fn0 s SER 174 N -3.59 1.00 -0.02 2.29 0.01 -1.26 -0.52 113.70 111.61 3fn0 s SER 174 Ca 0.31 -0.90 -0.02 0.00 1.31 0.00 0.00 55.95 56.65 3fn0 s SER 174 Cb -0.05 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.27 3fn0 s SER 174 CO 0.17 -0.42 0.05 -0.22 0.41 0.00 0.00 173.24 173.24 3fn0 s LEU 175 N -2.69 1.80 -0.00 2.44 0.20 0.27 -1.72 118.68 118.97 3fn0 s LEU 175 Ca 0.06 0.10 0.05 0.00 0.69 0.00 0.00 54.13 55.03 3fn0 s LEU 175 Cb 0.02 0.19 -0.03 0.00 -0.43 0.00 0.00 46.19 45.94 3fn0 s LEU 175 CO -0.04 -0.03 -0.16 -0.94 -0.29 0.00 0.00 176.35 174.89 3fn0 s SER 176 N -0.01 3.92 -0.07 3.68 1.04 -0.45 -0.73 113.70 121.08 3fn0 s SER 176 Ca -0.00 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3fn0 s SER 176 Cb -0.01 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.38 3fn0 s SER 176 CO 0.00 0.30 -0.18 -0.55 0.98 0.00 0.00 173.24 173.79 3fn0 s SER 177 N -1.09 2.33 -0.14 7.02 0.15 0.56 -1.73 113.70 120.80 3fn0 s SER 177 Ca 0.13 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.40 3fn0 s SER 177 Cb -0.11 -0.96 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 3fn0 s SER 177 CO 0.03 0.11 -0.19 -0.89 1.20 0.00 0.00 173.24 173.50 3fn0 s THR 178 N 0.39 1.86 -0.21 6.45 2.01 0.02 -0.42 115.64 125.73 3fn0 s THR 178 Ca -0.13 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 3fn0 s THR 178 Cb -0.15 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 3fn0 s THR 178 CO 0.05 0.51 0.13 -0.22 -0.69 0.00 0.00 174.62 174.40 3fn0 s LEU 179 N 1.07 4.14 -0.05 4.42 2.96 0.62 -1.75 118.68 130.09 3fn0 s LEU 179 Ca -0.02 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 3fn0 s LEU 179 Cb -0.14 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 3fn0 s LEU 179 CO -0.06 0.16 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.02 3fn0 s THR 180 N 0.51 1.77 0.27 3.68 2.01 -0.20 -0.73 115.64 122.95 3fn0 s THR 180 Ca 0.07 -0.92 -0.18 0.00 0.31 0.00 0.00 61.69 60.98 3fn0 s THR 180 Cb -0.12 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.90 3fn0 s THR 180 CO -0.00 0.50 0.62 -1.48 -0.69 0.00 0.00 174.62 173.57 3fn0 s LEU 181 N -0.13 -0.02 0.71 4.42 0.05 -0.44 -4.88 118.68 118.39 3fn0 s LEU 181 Ca -0.02 -0.74 -0.13 0.00 0.05 0.00 0.00 54.13 53.29 3fn0 s LEU 181 Cb -0.12 2.34 0.03 0.00 -2.05 0.00 0.00 46.19 46.38 3fn0 s LEU 181 CO 0.03 -1.26 1.11 -0.94 -0.55 0.00 0.00 176.35 174.73 3fn0 s SER 182 N -2.96 4.76 0.20 1.48 1.04 -1.26 -0.22 113.70 116.74 3fn0 s SER 182 Ca 0.16 1.96 -0.11 0.00 0.48 0.00 0.00 55.95 58.44 3fn0 s SER 182 Cb -0.04 -2.54 0.21 0.00 0.10 0.00 0.00 66.02 63.74 3fn0 s SER 182 CO 0.08 -1.87 1.79 0.50 0.98 0.00 0.00 173.24 174.72 3fn0 h LYS 183 N -0.48 0.54 -0.57 4.02 3.64 -1.44 0.74 116.57 123.02 3fn0 h LYS 183 Ca -0.45 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3fn0 h LYS 183 Cb 1.24 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3fn0 h LYS 183 CO 0.52 0.36 0.30 0.00 -2.27 0.00 0.00 179.45 178.36 3fn0 h ALA 184 N 1.33 0.73 -0.56 5.00 0.00 -1.91 0.38 119.26 124.23 3fn0 h ALA 184 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3fn0 h ALA 184 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3fn0 h ALA 184 CO -0.20 0.26 0.36 -0.44 0.00 0.00 0.00 179.25 179.23 3fn0 h ASP 185 N 0.77 0.66 -0.73 0.00 3.45 -1.85 -2.69 116.42 116.03 3fn0 h ASP 185 Ca 0.20 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3fn0 h ASP 185 Cb 0.06 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.63 3fn0 h ASP 185 CO -0.03 0.51 0.47 0.22 -1.57 0.00 0.00 179.24 178.83 3fn0 h TYR 186 N 0.76 0.93 0.00 4.55 3.20 -0.16 -2.27 116.97 123.98 3fn0 h TYR 186 Ca 0.20 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3fn0 h TYR 186 Cb -0.05 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.91 3fn0 h TYR 186 CO -0.03 0.60 0.00 0.39 -1.64 0.00 0.00 178.16 177.48 3fn0 n GLU 187 N -4.56 0.09 -0.29 1.82 1.02 0.06 -2.66 120.64 116.12 3fn0 n GLU 187 Ca 0.07 0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.57 3fn0 n GLU 187 Cb 0.03 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.22 3fn0 n GLU 187 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3fn0 n LYS 188 N -1.38 2.63 -4.27 3.49 2.85 -0.85 -4.94 118.16 115.69 3fn0 n LYS 188 Ca 0.04 -2.50 -0.15 0.00 -1.05 0.00 0.00 58.31 54.65 3fn0 n LYS 188 Cb 0.10 -1.55 -0.10 0.00 -0.65 0.00 0.00 35.03 32.83 3fn0 n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3fn0 s HIS 189 N -1.24 1.35 -0.07 5.58 3.76 -1.09 -5.10 115.29 118.48 3fn0 s HIS 189 Ca 0.44 -0.82 -0.08 0.00 -0.15 0.00 0.00 55.06 54.46 3fn0 s HIS 189 Cb 0.24 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 3fn0 s HIS 189 CO 0.33 0.04 -0.17 0.36 -0.85 0.00 0.00 174.74 174.45 3fn0 n LYS 190 N -0.27 0.26 -3.63 1.40 0.00 -1.26 -4.74 118.16 109.93 3fn0 n LYS 190 Ca -0.08 0.11 -0.38 0.00 -0.00 0.00 0.00 58.31 57.96 3fn0 n LYS 190 Cb 0.62 -0.95 -0.11 0.00 -0.00 0.00 0.00 35.03 34.58 3fn0 n LYS 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3fn0 s VAL 191 N -2.35 5.04 -0.17 0.58 1.01 -1.26 0.49 120.40 123.74 3fn0 s VAL 191 Ca -0.16 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 3fn0 s VAL 191 Cb 0.04 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3fn0 s VAL 191 CO 0.22 0.25 -0.03 -0.31 0.00 0.00 0.00 175.10 175.23 3fn0 s TYR 192 N 1.72 3.02 -0.00 5.22 2.02 -0.39 -0.48 117.35 128.46 3fn0 s TYR 192 Ca 0.07 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3fn0 s TYR 192 Cb -0.16 -2.00 -0.00 0.00 -0.40 0.00 0.00 41.96 39.40 3fn0 s TYR 192 CO 0.09 -0.13 -0.01 0.00 -1.57 0.00 0.00 175.55 173.94 3fn0 s ALA 193 N 0.61 0.05 -0.03 3.71 0.00 -0.66 -0.90 121.76 124.54 3fn0 s ALA 193 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.96 3fn0 s ALA 193 Cb -0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3fn0 s ALA 193 CO 0.02 0.01 -0.18 0.00 0.00 0.00 0.00 175.76 175.62 3fn0 s GLU 195 N -0.76 3.26 -0.12 0.00 2.12 0.64 -1.50 118.70 122.35 3fn0 s GLU 195 Ca 0.11 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.76 3fn0 s GLU 195 Cb -0.10 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.43 3fn0 s GLU 195 CO 0.00 -0.16 -0.15 0.08 -0.54 0.00 0.00 175.26 174.50 3fn0 s VAL 196 N 1.30 2.91 0.00 3.70 1.01 0.13 -1.16 120.40 128.29 3fn0 s VAL 196 Ca 0.04 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.36 3fn0 s VAL 196 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3fn0 s VAL 196 CO -0.05 0.54 -0.20 -0.89 0.00 0.00 0.00 175.10 174.49 3fn0 s THR 197 N 0.23 2.57 -0.15 3.92 2.01 -0.52 -0.95 115.64 122.75 3fn0 s THR 197 Ca -0.10 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 3fn0 s THR 197 Cb -0.16 -2.00 0.11 0.00 0.01 0.00 0.00 72.50 70.46 3fn0 s THR 197 CO 0.06 0.47 0.92 -2.28 -0.69 0.00 0.00 174.62 173.10 3fn0 s HIS 198 N -0.77 -0.46 0.51 4.92 2.46 -1.26 -1.37 115.29 119.31 3fn0 s HIS 198 Ca 0.12 0.84 0.41 0.00 0.47 0.00 0.00 55.06 56.91 3fn0 s HIS 198 Cb -0.10 0.43 1.61 0.00 -0.13 0.00 0.00 32.58 34.38 3fn0 s HIS 198 CO 0.02 -0.39 1.61 0.37 -2.47 0.00 0.00 174.74 173.87 3fn0 h GLN 199 N 2.91 0.02 -0.02 2.88 4.15 -1.94 -0.06 115.11 123.06 3fn0 h GLN 199 Ca -0.22 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3fn0 h GLN 199 Cb 1.16 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3fn0 h GLN 199 CO 0.30 0.01 -0.08 0.41 -1.93 0.00 0.00 178.83 177.54 3fn0 n GLY 200 N -1.74 -0.00 3.39 2.39 0.00 -1.26 -4.75 105.19 103.22 3fn0 n GLY 200 Ca 0.40 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3fn0 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fn0 s LEU 201 N -2.14 3.83 0.27 0.99 1.43 -0.04 -4.53 118.68 118.49 3fn0 s LEU 201 Ca 0.32 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3fn0 s LEU 201 Cb 0.20 -1.92 0.62 0.00 0.03 0.00 0.00 46.19 45.11 3fn0 s LEU 201 CO 0.39 -0.16 1.72 0.77 0.23 0.00 0.00 176.35 179.30 3fn0 h SER 202 N 8.27 0.37 -5.41 2.29 4.64 -1.85 -3.43 113.55 118.43 3fn0 h SER 202 Ca -0.33 0.13 -0.25 0.00 -0.47 0.00 0.00 61.79 60.86 3fn0 h SER 202 Cb 1.14 0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 3fn0 h SER 202 CO 0.60 0.09 -0.62 -0.94 -0.87 0.00 0.00 176.83 175.09 3fn0 s SER 203 N -5.29 0.33 0.49 4.97 1.04 -1.26 -5.11 113.70 108.87 3fn0 s SER 203 Ca -0.12 -1.37 -0.23 0.00 0.48 0.00 0.00 55.95 54.71 3fn0 s SER 203 Cb 0.23 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 3fn0 s SER 203 CO 0.78 -0.81 1.29 -2.84 0.98 0.00 0.00 173.24 172.64 3fn0 s PRO 204 N -4.13 3.50 -0.13 4.02 0.02 -1.26 -4.92 135.00 132.10 3fn0 s PRO 204 Ca 0.38 2.09 -0.04 0.00 0.02 0.00 0.00 61.00 63.44 3fn0 s PRO 204 Cb 0.07 -2.41 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 3fn0 s PRO 204 CO 0.11 -0.85 0.01 0.08 -0.33 0.00 0.00 177.00 176.02 3fn0 s VAL 205 N -1.37 4.32 -0.10 3.83 1.01 -0.13 -4.91 120.40 123.06 3fn0 s VAL 205 Ca 0.66 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3fn0 s VAL 205 Cb -0.36 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3fn0 s VAL 205 CO 0.44 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.99 3fn0 s THR 206 N -0.17 2.46 -0.01 3.92 2.01 -1.26 0.19 115.64 122.78 3fn0 s THR 206 Ca 0.05 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.24 3fn0 s THR 206 Cb -0.12 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 3fn0 s THR 206 CO 0.02 0.55 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.71 3fn0 s LYS 207 N 0.14 2.08 0.16 4.92 -0.14 -0.56 -4.99 119.74 121.34 3fn0 s LYS 207 Ca -0.10 -0.95 -0.13 0.00 -1.36 0.00 0.00 55.97 53.42 3fn0 s LYS 207 Cb -0.16 -2.05 0.01 0.00 -1.68 0.00 0.00 37.83 33.95 3fn0 s LYS 207 CO 0.06 0.56 0.38 -1.54 -0.76 0.00 0.00 175.35 174.05 3fn0 s SER 208 N -0.75 -0.11 0.15 2.83 1.04 -1.26 -0.56 113.70 115.04 3fn0 s SER 208 Ca 0.10 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 55.88 3fn0 s SER 208 Cb -0.10 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3fn0 s SER 208 CO -0.00 -0.92 0.19 0.72 0.98 0.00 0.00 173.24 174.21 3fn0 s PHE 209 N -3.89 0.57 -0.22 5.02 -0.71 -0.08 -4.99 117.98 113.68 3fn0 s PHE 209 Ca 0.10 -0.94 -0.05 0.00 -1.04 0.00 0.00 56.93 55.00 3fn0 s PHE 209 Cb 0.02 -0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.58 3fn0 s PHE 209 CO -0.05 -0.64 0.01 -0.80 -1.34 0.00 0.00 175.22 172.40 3fn0 s ASN 210 N -3.00 4.76 0.00 1.98 0.01 -1.26 -1.26 114.94 116.18 3fn0 s ASN 210 Ca 0.20 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 3fn0 s ASN 210 Cb 0.05 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.88 3fn0 s ASN 210 CO 0.00 0.01 0.27 -1.14 -1.51 0.00 0.00 177.10 174.73