#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 s ILE 2 N 0.00 2.20 0.52 3.17 -5.25 -1.26 -4.57 121.20 116.00 3df4 s ILE 2 Ca 0.00 0.08 0.04 0.00 -0.99 0.00 0.00 60.65 59.78 3df4 s ILE 2 Cb 0.00 -2.42 0.01 0.00 2.95 0.00 0.00 42.46 43.00 3df4 s ILE 2 CO 0.00 -0.07 0.19 -0.83 -1.79 0.00 0.00 174.94 172.44 3df4 s GLY 3 N -2.35 2.68 0.22 6.27 0.00 -1.26 -4.77 107.32 108.10 3df4 s GLY 3 Ca 0.71 -0.92 0.11 0.00 0.00 0.00 0.00 44.72 44.62 3df4 s GLY 3 CO 0.52 -2.06 -0.21 1.08 0.00 0.00 0.00 173.10 172.43 3df4 s LEU 4 N -4.05 2.56 -0.27 0.66 2.01 -0.40 -4.98 118.68 114.20 3df4 s LEU 4 Ca 0.21 -0.87 -0.11 0.00 0.01 0.00 0.00 54.13 53.37 3df4 s LEU 4 Cb 0.00 -1.22 -0.05 0.00 0.01 0.00 0.00 46.19 44.93 3df4 s LEU 4 CO 0.13 0.09 0.18 -0.69 1.01 0.00 0.00 176.35 177.07 3df4 s VAL 5 N -1.92 5.32 0.17 -1.59 1.01 -1.26 -1.74 120.40 120.39 3df4 s VAL 5 Ca 0.24 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3df4 s VAL 5 Cb -0.07 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 3df4 s VAL 5 CO 0.12 0.28 0.02 0.61 0.00 0.00 0.00 175.10 176.12 3df4 n GLY 6 N 4.84 3.92 3.03 4.51 0.00 0.31 -4.42 105.19 117.38 3df4 n GLY 6 Ca -0.14 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.41 3df4 n GLY 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3df4 s LYS 7 N -2.61 2.29 -0.04 1.61 2.20 -1.09 -0.40 119.74 121.70 3df4 s LYS 7 Ca 0.02 -0.56 -0.34 0.00 -0.36 0.00 0.00 55.97 54.73 3df4 s LYS 7 Cb 0.00 -2.05 -0.12 0.00 -1.51 0.00 0.00 37.83 34.15 3df4 s LYS 7 CO 0.02 -0.19 1.82 1.17 -0.36 0.00 0.00 175.35 177.81 3df4 n LYS 8 N 4.61 2.16 0.00 4.03 3.00 0.64 -3.49 118.16 129.10 3df4 n LYS 8 Ca -0.18 0.79 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 3df4 n LYS 8 Cb 0.50 -2.62 0.00 0.00 0.00 0.00 0.00 35.03 32.92 3df4 n LYS 8 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 3df4 n VAL 9 N 4.80 0.00 0.00 3.15 3.14 -1.15 0.16 118.33 128.44 3df4 n VAL 9 Ca 0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 3df4 n VAL 9 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 3df4 n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3df4 n GLY 10 N 0.00 0.23 2.00 7.55 0.00 -1.24 -4.21 105.19 109.53 3df4 n GLY 10 Ca 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 3df4 n GLY 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3df4 n MET 11 N 0.00 -1.10 -4.20 1.61 2.81 -0.43 -4.74 117.12 111.07 3df4 n MET 11 Ca 0.00 1.24 -0.19 0.00 -1.81 0.00 0.00 57.70 56.94 3df4 n MET 11 Cb 0.00 -2.96 -0.07 0.00 -0.71 0.00 0.00 33.22 29.48 3df4 n MET 11 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3df4 n THR 12 N -0.14 0.00 -4.33 2.03 -1.04 -0.48 -4.89 114.28 105.43 3df4 n THR 12 Ca 0.03 -2.38 -0.33 0.00 -2.04 0.00 0.00 64.05 59.33 3df4 n THR 12 Cb 0.11 1.20 -0.16 0.00 -1.82 0.00 0.00 70.33 69.66 3df4 n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3df4 s ARG 13 N -3.31 3.11 -0.81 -2.82 1.70 -1.26 -1.26 118.95 114.30 3df4 s ARG 13 Ca 0.39 -0.79 -0.06 0.00 -0.47 0.00 0.00 55.73 54.81 3df4 s ARG 13 Cb 0.02 -2.61 0.21 0.00 -0.57 0.00 0.00 34.95 31.99 3df4 s ARG 13 CO 0.28 -0.10 0.70 -1.50 -1.08 0.00 0.00 175.30 173.59 3df4 s ILE 14 N 1.08 4.60 0.82 4.99 2.07 -0.43 -4.87 121.20 129.46 3df4 s ILE 14 Ca -0.00 -3.20 -0.15 0.00 -1.41 0.00 0.00 60.65 55.88 3df4 s ILE 14 Cb -0.14 -3.88 -0.01 0.00 0.13 0.00 0.00 42.46 38.56 3df4 s ILE 14 CO -0.06 -1.01 0.43 0.49 -1.91 0.00 0.00 174.94 172.88 3df4 n PHE 15 N 3.12 -1.22 -4.36 3.50 3.01 -1.26 -3.74 117.46 116.53 3df4 n PHE 15 Ca 0.15 0.29 -0.23 0.00 1.01 0.00 0.00 57.45 58.67 3df4 n PHE 15 Cb 0.40 -1.85 -0.08 0.00 -0.01 0.00 0.00 39.48 37.94 3df4 n PHE 15 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3df4 s THR 16 N -2.10 3.11 0.36 4.37 2.01 0.54 -4.94 115.64 118.98 3df4 s THR 16 Ca 0.61 -2.08 0.05 0.00 0.31 0.00 0.00 61.69 60.57 3df4 s THR 16 Cb -0.29 -2.66 0.28 0.00 0.01 0.00 0.00 72.50 69.85 3df4 s THR 16 CO 0.63 -0.38 1.97 1.05 -0.69 0.00 0.00 174.62 177.20 3df4 h GLU 17 N 2.02 0.77 -0.54 4.92 4.11 -1.95 -2.19 114.58 121.72 3df4 h GLU 17 Ca -0.43 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 3df4 h GLU 17 Cb 1.25 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3df4 h GLU 17 CO 0.60 0.51 0.06 0.38 0.07 0.00 0.00 179.01 180.64 3df4 h ASP 18 N 0.80 0.87 0.00 3.06 3.04 -2.03 -3.47 116.42 118.70 3df4 h ASP 18 Ca 0.29 -0.27 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 3df4 h ASP 18 Cb 0.15 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 38.21 3df4 h ASP 18 CO -0.09 0.93 0.00 0.61 -2.04 0.00 0.00 179.24 178.65 3df4 n GLY 19 N -0.50 0.79 3.60 7.15 0.00 -0.82 -5.16 105.19 110.25 3df4 n GLY 19 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3df4 n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df4 s VAL 20 N -0.92 3.63 -0.32 1.61 1.01 -1.26 -4.90 120.40 119.25 3df4 s VAL 20 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3df4 s VAL 20 Cb 0.00 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.80 3df4 s VAL 20 CO 0.00 0.30 0.06 -0.55 0.00 0.00 0.00 175.10 174.91 3df4 s SER 21 N -1.69 5.14 -0.27 3.32 0.15 -1.26 -0.34 113.70 118.75 3df4 s SER 21 Ca 0.19 -1.21 -0.10 0.00 0.70 0.00 0.00 55.95 55.54 3df4 s SER 21 Cb -0.11 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 3df4 s SER 21 CO 0.10 -0.30 0.14 -0.63 1.20 0.00 0.00 173.24 173.75 3df4 s ILE 22 N 1.34 4.91 1.16 6.45 1.01 -1.25 -4.91 121.20 129.91 3df4 s ILE 22 Ca -0.03 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 3df4 s ILE 22 Cb -0.20 -3.34 0.27 0.00 0.01 0.00 0.00 42.46 39.21 3df4 s ILE 22 CO 0.01 0.27 1.04 -2.84 0.00 0.00 0.00 174.94 173.42 3df4 s PRO 23 N 1.70 -0.85 0.00 2.79 0.02 -1.25 -1.31 135.00 136.10 3df4 s PRO 23 Ca 0.07 0.63 0.00 0.00 0.02 0.00 0.00 61.00 61.71 3df4 s PRO 23 Cb -0.16 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.78 3df4 s PRO 23 CO 0.08 -3.62 0.00 1.55 -0.33 0.00 0.00 177.00 174.68 3df4 n VAL 24 N -4.82 0.00 -2.69 3.83 3.14 -0.39 -3.91 118.33 113.49 3df4 n VAL 24 Ca 0.04 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.00 3df4 n VAL 24 Cb 0.56 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.31 3df4 n VAL 24 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3df4 s THR 25 N 0.00 4.19 -0.23 1.55 2.01 -1.26 -1.31 115.64 120.59 3df4 s THR 25 Ca 0.00 0.65 -0.29 0.00 0.31 0.00 0.00 61.69 62.36 3df4 s THR 25 Cb 0.00 -4.64 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 3df4 s THR 25 CO 0.00 -1.23 1.68 -0.69 -0.69 0.00 0.00 174.62 173.69 3df4 s VAL 26 N 4.50 3.61 -0.20 3.82 1.01 -1.26 -3.96 120.40 127.92 3df4 s VAL 26 Ca 0.38 0.68 -0.07 0.00 0.00 0.00 0.00 61.98 62.97 3df4 s VAL 26 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3df4 s VAL 26 CO 0.23 -0.30 0.06 -0.63 0.00 0.00 0.00 175.10 174.46 3df4 s ILE 27 N 5.54 4.59 -0.40 2.22 1.01 -0.98 -2.92 121.20 130.26 3df4 s ILE 27 Ca 0.74 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 61.14 3df4 s ILE 27 Cb -0.25 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.14 3df4 s ILE 27 CO 0.31 0.42 0.35 -0.70 0.00 0.00 0.00 174.94 175.31 3df4 s GLU 28 N 0.76 3.14 -0.67 2.79 2.12 -1.23 -1.07 118.70 124.55 3df4 s GLU 28 Ca 0.03 -0.82 -0.17 0.00 0.36 0.00 0.00 54.97 54.38 3df4 s GLU 28 Cb -0.13 -3.93 0.14 0.00 0.26 0.00 0.00 34.13 30.46 3df4 s GLU 28 CO 0.02 -0.72 0.72 0.08 -0.54 0.00 0.00 175.26 174.82 3df4 s VAL 29 N 1.88 5.09 -1.09 3.70 1.01 -1.08 -2.67 120.40 127.24 3df4 s VAL 29 Ca 0.08 -1.53 -0.08 0.00 0.00 0.00 0.00 61.98 60.45 3df4 s VAL 29 Cb -0.18 -4.48 -0.11 0.00 0.00 0.00 0.00 36.38 31.61 3df4 s VAL 29 CO 0.11 -1.09 3.07 1.21 0.00 0.00 0.00 175.10 178.40 3df4 n GLU 30 N 5.55 3.29 -1.50 2.72 2.13 -1.26 -4.61 120.64 126.96 3df4 n GLU 30 Ca -0.01 -2.04 0.07 0.00 0.66 0.00 0.00 57.16 55.84 3df4 n GLU 30 Cb 0.44 -2.53 -0.04 0.00 0.27 0.00 0.00 31.44 29.58 3df4 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3df4 n ALA 31 N 2.93 -2.63 -3.60 4.31 0.00 -1.26 -4.59 120.51 115.66 3df4 n ALA 31 Ca 0.66 0.65 -0.28 0.00 0.00 0.00 0.00 53.44 54.47 3df4 n ALA 31 Cb 0.43 -1.50 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 3df4 n ALA 31 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3df4 s ASN 32 N -6.07 3.02 -0.39 0.00 -0.87 0.30 -4.32 114.94 106.61 3df4 s ASN 32 Ca 0.00 -2.94 -0.29 0.00 -1.57 0.00 0.00 52.86 48.06 3df4 s ASN 32 Cb 0.00 -0.85 0.02 0.00 -0.02 0.00 0.00 41.25 40.40 3df4 s ASN 32 CO 0.00 -0.21 1.20 0.00 -2.57 0.00 0.00 177.10 175.52 3df4 s ARG 33 N 0.03 3.82 -0.16 -0.60 1.70 -1.17 -2.27 118.95 120.29 3df4 s ARG 33 Ca 0.24 0.89 -0.36 0.00 -0.47 0.00 0.00 55.73 56.03 3df4 s ARG 33 Cb -0.11 -3.88 -0.13 0.00 -0.57 0.00 0.00 34.95 30.26 3df4 s ARG 33 CO -0.09 -1.24 1.85 1.55 -1.08 0.00 0.00 175.30 176.28 3df4 n VAL 34 N 6.51 0.49 0.12 4.99 3.14 -1.26 -2.21 118.33 130.11 3df4 n VAL 34 Ca 0.13 -0.09 -0.20 0.00 -2.96 0.00 0.00 64.34 61.21 3df4 n VAL 34 Cb 0.48 -1.66 -0.14 0.00 -1.06 0.00 0.00 33.84 31.46 3df4 n VAL 34 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 3df4 h THR 35 N 5.45 1.37 -1.55 1.55 1.35 0.15 -2.82 112.91 118.41 3df4 h THR 35 Ca -0.47 -2.76 0.10 0.00 -0.55 0.00 0.00 66.41 62.73 3df4 h THR 35 Cb 1.29 2.90 -0.27 0.00 -1.73 0.00 0.00 68.15 70.34 3df4 h THR 35 CO 0.96 0.82 0.40 0.00 -0.25 0.00 0.00 175.52 177.45 3df4 s GLN 36 N -2.74 0.41 -0.03 4.72 -2.07 -1.02 -4.43 119.66 114.49 3df4 s GLN 36 Ca -0.07 0.65 -0.21 0.00 -1.82 0.00 0.00 55.36 53.91 3df4 s GLN 36 Cb 0.06 0.11 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 3df4 s GLN 36 CO 0.92 -0.08 0.62 0.08 -1.32 0.00 0.00 175.29 175.51 3df4 s VAL 37 N 1.09 4.96 -0.31 3.63 1.01 -1.26 -0.02 120.40 129.50 3df4 s VAL 37 Ca -0.06 1.29 -0.06 0.00 0.00 0.00 0.00 61.98 63.15 3df4 s VAL 37 Cb -0.04 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.40 3df4 s VAL 37 CO -0.13 0.36 0.08 -0.54 0.00 0.00 0.00 175.10 174.87 3df4 s LYS 38 N 0.15 2.89 0.42 2.72 1.02 -0.72 -4.96 119.74 121.27 3df4 s LYS 38 Ca 0.33 -0.99 -0.05 0.00 0.02 0.00 0.00 55.97 55.27 3df4 s LYS 38 Cb -0.18 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 3df4 s LYS 38 CO 0.17 -0.53 0.72 0.34 -0.92 0.00 0.00 175.35 175.13 3df4 s ASP 39 N 1.45 6.34 0.00 2.83 2.15 -1.24 -1.94 116.67 126.26 3df4 s ASP 39 Ca 0.01 0.87 0.22 0.00 0.43 0.00 0.00 52.55 54.08 3df4 s ASP 39 Cb -0.18 -2.22 1.34 0.00 -0.30 0.00 0.00 42.92 41.56 3df4 s ASP 39 CO 0.02 -0.46 1.79 0.00 -0.17 0.00 0.00 175.17 176.36 3df4 n LEU 40 N -1.86 0.00 -0.00 -1.34 -0.00 -0.77 0.53 117.00 113.56 3df4 n LEU 40 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.06 3df4 n LEU 40 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.90 3df4 n LEU 40 CO 0.51 0.00 -0.35 0.00 -0.00 0.00 0.00 177.39 177.55 3df4 n ALA 41 N -0.90 2.86 0.00 1.47 0.00 -1.26 -3.35 120.51 119.33 3df4 n ALA 41 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3df4 n ALA 41 Cb 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3df4 n ALA 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3df4 n ASN 42 N -1.59 0.80 0.00 0.00 5.15 -1.11 -4.84 115.26 113.68 3df4 n ASN 42 Ca -0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.60 3df4 n ASN 42 Cb 0.23 0.92 0.00 0.00 -0.53 0.00 0.00 39.78 40.40 3df4 n ASN 42 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3df4 n ASP 43 N -1.00 0.73 0.00 1.20 9.92 0.19 -4.91 116.55 122.67 3df4 n ASP 43 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3df4 n ASP 43 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3df4 n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3df4 n GLY 44 N 2.18 1.40 3.76 0.44 0.00 -0.35 -4.94 105.19 107.69 3df4 n GLY 44 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3df4 n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3df4 s TYR 45 N -2.00 -0.09 -0.31 1.61 1.13 -1.23 -4.73 117.35 111.74 3df4 s TYR 45 Ca 0.00 -0.22 -0.18 0.00 -1.41 0.00 0.00 57.07 55.26 3df4 s TYR 45 Cb 0.00 0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 41.49 3df4 s TYR 45 CO 0.00 -0.80 0.50 1.03 -2.51 0.00 0.00 175.55 173.77 3df4 s ARG 46 N -3.03 3.82 0.27 -3.49 1.81 -1.26 -1.84 118.95 115.23 3df4 s ARG 46 Ca 0.14 0.03 -0.19 0.00 -1.72 0.00 0.00 55.73 54.00 3df4 s ARG 46 Cb -0.01 -3.74 0.01 0.00 -0.45 0.00 0.00 34.95 30.77 3df4 s ARG 46 CO 0.02 -0.51 0.65 0.00 -0.68 0.00 0.00 175.30 174.79 3df4 s ALA 47 N 2.34 -0.94 -0.26 2.13 0.00 -0.82 -2.67 121.76 121.54 3df4 s ALA 47 Ca 0.19 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3df4 s ALA 47 Cb -0.15 0.91 0.13 0.00 0.00 0.00 0.00 23.12 24.01 3df4 s ALA 47 CO 0.12 -0.99 0.33 -1.50 0.00 0.00 0.00 175.76 173.72 3df4 s ILE 48 N -3.95 -0.49 0.27 0.00 2.07 -0.52 -1.75 121.20 116.82 3df4 s ILE 48 Ca 0.14 -0.23 -0.29 0.00 -1.41 0.00 0.00 60.65 58.85 3df4 s ILE 48 Cb -0.04 -0.86 -0.09 0.00 0.13 0.00 0.00 42.46 41.59 3df4 s ILE 48 CO 0.07 -0.26 1.12 -1.58 -1.91 0.00 0.00 174.94 172.38 3df4 s GLN 49 N 2.45 4.61 0.21 3.50 0.74 0.97 -3.07 119.66 129.08 3df4 s GLN 49 Ca 0.10 1.82 -0.00 0.00 0.05 0.00 0.00 55.36 57.33 3df4 s GLN 49 Cb -0.15 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 3df4 s GLN 49 CO -0.22 0.16 0.14 0.14 -0.55 0.00 0.00 175.29 174.97 3df4 s VAL 50 N -1.02 0.01 0.10 1.34 -7.23 -0.96 0.17 120.40 112.81 3df4 s VAL 50 Ca 0.46 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3df4 s VAL 50 Cb -0.32 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 3df4 s VAL 50 CO 0.41 0.00 0.07 0.41 -0.31 0.00 0.00 175.10 175.68 3df4 n THR 51 N -0.31 0.00 0.00 5.32 -1.04 -0.94 -2.09 114.28 115.22 3df4 n THR 51 Ca 0.03 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 3df4 n THR 51 Cb 0.66 0.31 0.00 0.00 -1.82 0.00 0.00 70.33 69.48 3df4 n THR 51 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3df4 n THR 52 N -0.20 0.00 0.00 12.58 -1.04 -1.26 -3.05 114.28 121.32 3df4 n THR 52 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3df4 n THR 52 Cb 0.17 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 3df4 n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3df4 n GLY 53 N 0.29 0.36 3.36 3.41 0.00 -1.26 -4.83 105.19 106.51 3df4 n GLY 53 Ca 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 46.02 44.68 3df4 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 s ALA 54 N -3.75 -2.30 1.06 4.61 0.00 -1.26 -2.96 121.76 117.17 3df4 s ALA 54 Ca 0.00 2.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.87 3df4 s ALA 54 Cb 0.00 -2.03 0.20 0.00 0.00 0.00 0.00 23.12 21.29 3df4 s ALA 54 CO 0.00 -1.16 0.92 1.63 0.00 0.00 0.00 175.76 177.15 3df4 n LYS 55 N 5.40 -1.50 0.00 0.00 4.76 -1.26 -4.68 118.16 120.88 3df4 n LYS 55 Ca -0.06 -0.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.98 3df4 n LYS 55 Cb 0.51 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 3df4 n LYS 55 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3df4 n LYS 56 N -4.17 0.62 -2.32 1.97 2.85 -1.26 -4.73 118.16 111.12 3df4 n LYS 56 Ca 0.06 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.20 3df4 n LYS 56 Cb 0.54 -1.23 -0.01 0.00 -0.65 0.00 0.00 35.03 33.68 3df4 n LYS 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3df4 n ALA 57 N 0.53 -0.72 0.02 0.58 0.00 -1.26 -4.74 120.51 114.92 3df4 n ALA 57 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3df4 n ALA 57 Cb 0.26 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3df4 n ALA 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df4 n ASN 58 N -1.63 0.20 0.33 0.00 3.02 -1.26 -4.78 115.26 111.13 3df4 n ASN 58 Ca -0.14 0.06 0.21 0.00 -0.03 0.00 0.00 54.58 54.68 3df4 n ASN 58 Cb 0.58 -0.04 1.15 0.00 -0.61 0.00 0.00 39.78 40.86 3df4 n ASN 58 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3df4 h ARG 59 N 0.00 0.00 -5.45 3.52 1.12 -1.96 -3.38 114.38 108.23 3df4 h ARG 59 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.72 3df4 h ARG 59 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 3df4 h ARG 59 CO 0.00 0.00 0.43 0.14 -3.11 0.00 0.00 179.97 177.43 3df4 s VAL 60 N -4.27 3.24 0.48 0.20 -7.23 -1.26 -4.91 120.40 106.64 3df4 s VAL 60 Ca -0.05 -0.28 -0.22 0.00 -1.81 0.00 0.00 61.98 59.62 3df4 s VAL 60 Cb 0.13 -3.76 -0.09 0.00 0.56 0.00 0.00 36.38 33.22 3df4 s VAL 60 CO 0.44 -0.49 0.88 0.35 -0.31 0.00 0.00 175.10 175.98 3df4 n THR 61 N 8.38 2.59 -0.28 5.32 -2.24 -1.26 -4.33 114.28 122.47 3df4 n THR 61 Ca 0.43 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 3df4 n THR 61 Cb 0.46 -1.02 0.23 0.00 -2.10 0.00 0.00 70.33 67.89 3df4 n THR 61 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3df4 h LYS 62 N 1.07 0.16 -0.64 -0.78 6.56 -1.92 1.25 116.57 122.27 3df4 h LYS 62 Ca -0.45 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.11 3df4 h LYS 62 Cb 1.36 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.95 3df4 h LYS 62 CO 0.54 0.10 0.32 -1.35 -2.06 0.00 0.00 179.45 177.00 3df4 h PRO 63 N 0.16 0.89 -0.18 3.15 0.11 -1.98 0.44 132.00 134.59 3df4 h PRO 63 Ca 0.49 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.46 3df4 h PRO 63 Cb 0.93 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3df4 h PRO 63 CO -0.66 0.68 0.00 1.49 -0.21 0.00 0.00 178.00 179.30 3df4 h GLU 64 N 0.89 0.31 0.00 1.05 4.81 0.85 -1.49 114.58 121.00 3df4 h GLU 64 Ca 0.22 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3df4 h GLU 64 Cb 0.07 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3df4 h GLU 64 CO -0.03 0.52 0.00 0.00 -0.73 0.00 0.00 179.01 178.76 3df4 n ALA 65 N -2.31 2.45 0.07 2.92 0.00 0.27 -2.94 120.51 120.96 3df4 n ALA 65 Ca -0.05 -0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 3df4 n ALA 65 Cb 0.22 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 3df4 n ALA 65 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3df4 h GLY 66 N 4.03 0.44 0.98 0.00 0.00 0.93 -2.73 103.07 106.72 3df4 h GLY 66 Ca 0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.21 3df4 h GLY 66 CO 0.00 0.98 0.22 0.84 0.00 0.00 0.00 176.54 178.58 3df4 h HIS 67 N 0.04 0.48 0.22 5.60 6.17 -1.38 0.30 115.15 126.59 3df4 h HIS 67 Ca -0.33 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 60.74 3df4 h HIS 67 Cb 2.05 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 31.82 3df4 h HIS 67 CO 0.11 0.35 -0.10 0.74 0.71 0.00 0.00 177.93 179.74 3df4 h PHE 68 N 0.48 -0.27 -0.71 5.26 -1.00 -1.70 -2.56 116.94 116.44 3df4 h PHE 68 Ca 0.13 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 61.00 3df4 h PHE 68 Cb 0.01 0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.61 3df4 h PHE 68 CO -0.04 -0.10 0.47 0.00 -1.61 0.00 0.00 178.31 177.04 3df4 h ALA 69 N 0.38 1.88 -0.45 2.45 0.00 -1.24 0.16 119.26 122.43 3df4 h ALA 69 Ca -0.03 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.99 3df4 h ALA 69 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3df4 h ALA 69 CO 0.05 -0.03 0.32 -0.22 0.00 0.00 0.00 179.25 179.37 3df4 h LYS 70 N 0.59 0.07 0.00 0.00 3.11 0.02 -3.43 116.57 116.93 3df4 h LYS 70 Ca 0.33 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 3df4 h LYS 70 Cb 0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 3df4 h LYS 70 CO -0.11 0.05 0.00 0.00 -2.81 0.00 0.00 179.45 176.57 3df4 n ALA 71 N -2.60 0.00 -1.78 5.00 0.00 0.32 -5.00 120.51 116.44 3df4 n ALA 71 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 3df4 n ALA 71 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 3df4 n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 72 N 2.08 1.64 3.71 0.00 0.00 -1.22 -4.91 105.19 106.50 3df4 n GLY 72 Ca 0.00 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 3df4 n GLY 72 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3df4 n VAL 73 N 7.11 2.40 -1.26 1.61 3.14 0.25 -4.58 118.33 127.00 3df4 n VAL 73 Ca 0.47 -0.50 -0.00 0.00 -2.96 0.00 0.00 64.34 61.35 3df4 n VAL 73 Cb 0.44 -1.64 -0.00 0.00 -1.06 0.00 0.00 33.84 31.59 3df4 n VAL 73 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3df4 n GLU 74 N 0.17 0.00 0.00 1.45 -0.58 -1.26 -4.93 120.64 115.48 3df4 n GLU 74 Ca 0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3df4 n GLU 74 Cb 0.39 0.24 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 3df4 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df4 n ALA 75 N 0.00 0.00 0.00 0.62 0.00 -1.26 -4.59 120.51 115.27 3df4 n ALA 75 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 75 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3df4 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 76 N 0.00 4.25 0.36 0.00 0.00 -1.16 -4.65 105.19 103.99 3df4 n GLY 76 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 3df4 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 n ARG 77 N -1.73 -0.38 0.00 1.61 1.74 -1.26 -4.33 116.66 112.32 3df4 n ARG 77 Ca 0.00 1.30 0.00 0.00 -0.77 0.00 0.00 57.85 58.38 3df4 n ARG 77 Cb 0.00 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 3df4 n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df4 n GLY 78 N -1.21 2.39 3.60 -0.13 0.00 -1.26 -4.97 105.19 103.60 3df4 n GLY 78 Ca 0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 3df4 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df4 s LEU 79 N 0.00 3.07 -0.23 0.99 2.01 -1.26 -4.42 118.68 118.84 3df4 s LEU 79 Ca 0.00 -0.54 -0.04 0.00 0.01 0.00 0.00 54.13 53.57 3df4 s LEU 79 Cb 0.00 -1.74 0.12 0.00 0.01 0.00 0.00 46.19 44.58 3df4 s LEU 79 CO 0.00 0.09 0.37 0.26 1.01 0.00 0.00 176.35 178.09 3df4 s TRP 80 N -1.75 -0.79 0.97 0.29 0.51 -0.89 -4.96 118.94 112.33 3df4 s TRP 80 Ca 0.26 0.94 -0.11 0.00 -2.12 0.00 0.00 56.10 55.07 3df4 s TRP 80 Cb -0.09 0.06 0.18 0.00 -0.81 0.00 0.00 33.47 32.80 3df4 s TRP 80 CO 0.16 -0.66 1.09 -2.00 -0.51 0.00 0.00 176.95 175.04 3df4 s GLU 81 N 2.55 0.59 -0.29 4.98 2.56 -1.26 -2.27 118.70 125.55 3df4 s GLU 81 Ca 0.09 1.11 0.04 0.00 0.00 0.00 0.00 54.97 56.21 3df4 s GLU 81 Cb -0.15 -1.71 0.20 0.00 2.00 0.00 0.00 34.13 34.47 3df4 s GLU 81 CO -0.15 -2.78 0.63 -0.06 -0.56 0.00 0.00 175.26 172.34 3df4 s PHE 82 N -2.69 -1.73 0.69 5.30 0.08 -1.17 -4.90 117.98 113.56 3df4 s PHE 82 Ca 0.66 1.08 -0.16 0.00 0.12 0.00 0.00 56.93 58.63 3df4 s PHE 82 Cb -0.22 0.32 0.02 0.00 -0.57 0.00 0.00 43.02 42.58 3df4 s PHE 82 CO 0.59 -1.00 1.20 1.03 -0.10 0.00 0.00 175.22 176.94 3df4 s ARG 83 N 2.84 2.40 0.28 0.44 1.81 -1.26 -1.44 118.95 124.02 3df4 s ARG 83 Ca 0.12 1.73 -0.11 0.00 -1.72 0.00 0.00 55.73 55.74 3df4 s ARG 83 Cb -0.10 -1.87 0.05 0.00 -0.45 0.00 0.00 34.95 32.58 3df4 s ARG 83 CO -0.25 -1.63 0.60 1.47 -0.68 0.00 0.00 175.30 174.81 3df4 n LEU 84 N -2.45 0.00 -3.61 2.53 -0.00 -1.09 -4.63 117.00 107.75 3df4 n LEU 84 Ca 0.13 -1.87 -0.04 0.00 -0.00 0.00 0.00 56.01 54.23 3df4 n LEU 84 Cb 0.50 2.81 -0.02 0.00 -0.00 0.00 0.00 43.42 46.71 3df4 n LEU 84 CO 0.47 -0.62 1.06 0.00 -0.00 0.00 0.00 177.39 178.30 3df4 s ALA 85 N -1.80 -2.11 -1.27 1.47 0.00 -1.26 -4.66 121.76 112.13 3df4 s ALA 85 Ca 0.12 1.71 -0.06 0.00 0.00 0.00 0.00 51.96 53.73 3df4 s ALA 85 Cb -0.04 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.88 3df4 s ALA 85 CO 0.09 -0.57 0.36 0.39 0.00 0.00 0.00 175.76 176.03 3df4 n GLU 86 N -0.04 -3.30 0.00 0.00 -0.58 -1.26 -4.83 120.64 110.63 3df4 n GLU 86 Ca 0.02 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 3df4 n GLU 86 Cb 0.58 -5.29 0.00 0.00 -0.57 0.00 0.00 31.44 26.15 3df4 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3df4 n GLY 87 N -1.12 1.90 0.00 0.62 0.00 -1.26 -5.19 105.19 100.14 3df4 n GLY 87 Ca -0.07 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3df4 n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3df4 n GLU 88 N 0.00 3.27 -3.57 1.61 -0.00 -1.26 -4.97 120.64 115.72 3df4 n GLU 88 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.02 3df4 n GLU 88 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 31.38 3df4 n GLU 88 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3df4 s GLU 89 N 2.97 0.79 -0.06 3.44 2.02 -1.26 -5.11 118.70 121.49 3df4 s GLU 89 Ca 0.00 0.39 -0.32 0.00 0.02 0.00 0.00 54.97 55.06 3df4 s GLU 89 Cb 0.00 0.38 -0.10 0.00 0.10 0.00 0.00 34.13 34.51 3df4 s GLU 89 CO 0.00 -0.21 1.99 1.19 0.02 0.00 0.00 175.26 178.25 3df4 n PHE 90 N 1.32 2.33 -0.10 1.61 3.72 -1.26 -4.89 117.46 120.19 3df4 n PHE 90 Ca -0.14 -0.18 -0.03 0.00 -0.05 0.00 0.00 57.45 57.04 3df4 n PHE 90 Cb 0.57 -2.73 -0.02 0.00 -0.94 0.00 0.00 39.48 36.35 3df4 n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3df4 h THR 91 N 5.86 0.00 -2.58 4.37 1.03 -1.97 -3.34 112.91 116.28 3df4 h THR 91 Ca -0.47 0.00 -0.58 0.00 -0.01 0.00 0.00 66.41 65.35 3df4 h THR 91 Cb 1.26 0.00 0.19 0.00 -1.07 0.00 0.00 68.15 68.52 3df4 h THR 91 CO 0.95 0.00 -0.84 0.55 -0.01 0.00 0.00 175.52 176.17 3df4 n VAL 92 N -3.54 1.05 -1.22 0.00 3.14 -1.26 -4.39 118.33 112.10 3df4 n VAL 92 Ca 0.00 -0.47 -0.08 0.00 -2.96 0.00 0.00 64.34 60.83 3df4 n VAL 92 Cb 0.07 -0.38 -0.08 0.00 -1.06 0.00 0.00 33.84 32.39 3df4 n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3df4 n GLY 93 N 2.20 -0.20 0.28 7.55 0.00 -1.06 -4.62 105.19 109.35 3df4 n GLY 93 Ca 0.08 0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.31 3df4 n GLY 93 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3df4 h GLN 94 N 10.01 0.00 -5.18 1.61 4.15 -1.77 -3.44 115.11 120.48 3df4 h GLN 94 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 3df4 h GLN 94 Cb 1.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.73 3df4 h GLN 94 CO 1.18 0.00 -0.85 0.43 -1.93 0.00 0.00 178.83 177.66 3df4 n SER 95 N -2.86 -8.04 -4.75 -0.69 7.64 -1.26 -4.98 113.62 98.68 3df4 n SER 95 Ca -0.02 1.18 -0.38 0.00 1.01 0.00 0.00 58.87 60.66 3df4 n SER 95 Cb 0.09 -5.38 -0.06 0.00 -1.01 0.00 0.00 64.21 57.86 3df4 n SER 95 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3df4 s ILE 96 N -1.93 5.10 0.45 0.44 1.01 -0.96 -4.90 121.20 120.40 3df4 s ILE 96 Ca 0.07 0.97 0.08 0.00 0.00 0.00 0.00 60.65 61.77 3df4 s ILE 96 Cb -0.02 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3df4 s ILE 96 CO 0.78 0.40 0.45 -0.55 0.00 0.00 0.00 174.94 176.03 3df4 s SER 97 N 0.08 5.10 0.55 3.58 0.15 -1.26 -0.53 113.70 121.37 3df4 s SER 97 Ca 0.26 -0.76 0.24 0.00 0.70 0.00 0.00 55.95 56.39 3df4 s SER 97 Cb -0.16 -0.38 1.45 0.00 -1.71 0.00 0.00 66.02 65.22 3df4 s SER 97 CO 0.12 -0.79 2.07 0.58 1.20 0.00 0.00 173.24 176.42 3df4 h VAL 98 N 0.85 0.72 0.00 4.45 2.07 -1.98 -0.65 116.25 121.71 3df4 h VAL 98 Ca -0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3df4 h VAL 98 Cb 1.27 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3df4 h VAL 98 CO 0.54 0.00 0.45 1.05 0.02 0.00 0.00 177.57 179.63 3df4 h GLU 99 N 0.00 0.00 -0.65 1.57 4.11 -1.94 0.22 114.58 117.89 3df4 h GLU 99 Ca 0.13 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.68 3df4 h GLU 99 Cb 0.56 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 3df4 h GLU 99 CO -0.00 0.00 0.16 1.25 0.07 0.00 0.00 179.01 180.49 3df4 h LEU 100 N 0.00 0.05 -5.57 3.06 7.12 -1.51 -2.26 115.31 116.20 3df4 h LEU 100 Ca 0.00 0.12 -0.73 0.00 0.13 0.00 0.00 57.88 57.39 3df4 h LEU 100 Cb 0.90 0.15 -0.11 0.00 -0.53 0.00 0.00 40.66 41.07 3df4 h LEU 100 CO 0.00 0.02 2.57 0.49 -0.13 0.00 0.00 178.44 181.39 3df4 n PHE 101 N -5.11 2.58 0.00 1.25 0.99 0.07 -4.72 117.46 112.51 3df4 n PHE 101 Ca 0.11 -2.85 0.00 0.00 -0.00 0.00 0.00 57.45 54.70 3df4 n PHE 101 Cb 0.36 -1.90 0.00 0.00 -1.00 0.00 0.00 39.48 36.93 3df4 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3df4 n ALA 102 N 1.91 0.00 -1.15 4.37 0.00 -0.85 -4.46 120.51 120.33 3df4 n ALA 102 Ca 0.64 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.76 3df4 n ALA 102 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 3df4 n ALA 102 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df4 n ASP 103 N -0.06 7.56 -3.78 0.00 10.43 -1.26 -4.77 116.55 124.66 3df4 n ASP 103 Ca 0.00 -2.50 -0.26 0.00 2.57 0.00 0.00 54.79 54.60 3df4 n ASP 103 Cb 0.00 -1.44 -0.17 0.00 1.84 0.00 0.00 41.12 41.35 3df4 n ASP 103 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3df4 s VAL 104 N 2.28 0.62 -0.83 2.53 1.01 -1.26 -4.98 120.40 119.77 3df4 s VAL 104 Ca 0.63 -0.37 0.22 0.00 0.00 0.00 0.00 61.98 62.46 3df4 s VAL 104 Cb 0.18 -0.94 -0.18 0.00 0.00 0.00 0.00 36.38 35.44 3df4 s VAL 104 CO -0.05 0.02 0.97 1.17 0.00 0.00 0.00 175.10 177.21 3df4 n LYS 105 N 5.04 0.12 0.00 2.72 3.00 -1.26 -4.77 118.16 123.01 3df4 n LYS 105 Ca -0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 3df4 n LYS 105 Cb 0.48 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.99 3df4 n LYS 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3df4 n LYS 106 N -1.67 0.00 -0.57 1.64 4.01 -1.26 -3.72 118.16 116.58 3df4 n LYS 106 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 3df4 n LYS 106 Cb 0.38 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.90 3df4 n LYS 106 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3df4 n VAL 107 N 0.00 -2.54 -0.04 -0.18 0.31 -1.19 -4.37 118.33 110.32 3df4 n VAL 107 Ca 0.00 0.86 -0.08 0.00 -0.01 0.00 0.00 64.34 65.10 3df4 n VAL 107 Cb 0.00 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 3df4 n VAL 107 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3df4 n ASP 108 N -0.83 0.86 -1.62 4.52 10.43 0.51 -2.95 116.55 127.48 3df4 n ASP 108 Ca 0.00 0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.44 3df4 n ASP 108 Cb 0.00 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 42.74 3df4 n ASP 108 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3df4 n VAL 109 N -3.29 -8.44 -3.69 2.53 0.31 -1.26 -2.26 118.33 102.23 3df4 n VAL 109 Ca -0.15 1.83 -0.27 0.00 -0.01 0.00 0.00 64.34 65.73 3df4 n VAL 109 Cb 0.61 -4.48 -0.16 0.00 -0.91 0.00 0.00 33.84 28.90 3df4 n VAL 109 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3df4 s THR 110 N -0.32 0.35 0.00 2.52 2.01 -1.15 -3.58 115.64 115.46 3df4 s THR 110 Ca 0.00 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3df4 s THR 110 Cb 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.57 3df4 s THR 110 CO 0.00 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 3df4 n GLY 111 N 5.11 4.84 0.00 4.40 0.00 -1.26 0.10 105.19 118.38 3df4 n GLY 111 Ca -0.08 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3df4 n GLY 111 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3df4 n THR 112 N 0.00 0.00 -3.75 2.61 -2.24 -1.26 -4.48 114.28 105.17 3df4 n THR 112 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3df4 n THR 112 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3df4 n THR 112 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3df4 s SER 113 N -1.53 -0.30 0.00 3.42 0.15 -1.14 -3.94 113.70 110.36 3df4 s SER 113 Ca 0.00 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.22 3df4 s SER 113 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 3df4 s SER 113 CO 0.00 -1.15 0.95 2.29 1.20 0.00 0.00 173.24 176.53 3df4 n LYS 114 N -0.44 0.00 0.00 5.44 2.85 -1.26 -4.07 118.16 120.68 3df4 n LYS 114 Ca -0.07 0.88 0.00 0.00 -1.05 0.00 0.00 58.31 58.07 3df4 n LYS 114 Cb 0.60 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 3df4 n LYS 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3df4 n GLY 115 N -0.99 0.96 0.33 2.58 0.00 -1.26 -4.62 105.19 102.19 3df4 n GLY 115 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3df4 n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3df4 h LYS 116 N 0.00 -0.76 0.00 1.61 1.79 -1.80 -3.45 116.57 113.96 3df4 h LYS 116 Ca 0.00 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3df4 h LYS 116 Cb 0.00 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3df4 h LYS 116 CO 0.00 -0.51 0.00 0.41 -1.08 0.00 0.00 179.45 178.27 3df4 n GLY 117 N -0.40 2.30 0.00 3.86 0.00 0.32 -4.68 105.19 106.58 3df4 n GLY 117 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3df4 n GLY 117 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3df4 n PHE 118 N 0.00 0.00 -2.59 1.61 1.16 -1.26 -2.36 117.46 114.02 3df4 n PHE 118 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3df4 n PHE 118 Cb 0.00 -0.50 0.00 0.00 -1.61 0.00 0.00 39.48 37.37 3df4 n PHE 118 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3df4 n ALA 119 N -3.32 0.00 -0.01 1.98 0.00 -1.26 -4.74 120.51 113.15 3df4 n ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 119 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df4 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 120 N 0.00 0.82 0.00 0.00 0.00 -1.26 -4.87 105.19 99.88 3df4 n GLY 120 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3df4 n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3df4 n THR 121 N 2.42 0.00 0.00 2.61 -2.24 -1.26 -3.06 114.28 112.74 3df4 n THR 121 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3df4 n THR 121 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3df4 n THR 121 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3df4 n VAL 122 N -2.42 0.00 0.00 2.28 0.31 -1.26 -4.22 118.33 113.02 3df4 n VAL 122 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3df4 n VAL 122 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3df4 n VAL 122 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3df4 n LYS 123 N -1.92 0.00 -0.61 5.55 0.00 -1.23 -4.25 118.16 115.71 3df4 n LYS 123 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.39 3df4 n LYS 123 Cb 0.00 -0.29 0.34 0.00 0.00 0.00 0.00 35.03 35.08 3df4 n LYS 123 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3df4 n ARG 124 N -2.82 3.67 0.00 1.64 -4.01 -1.17 -4.17 116.66 109.81 3df4 n ARG 124 Ca 0.00 -2.68 0.00 0.00 -1.04 0.00 0.00 57.85 54.13 3df4 n ARG 124 Cb 0.28 -1.90 0.00 0.00 -3.04 0.00 0.00 32.46 27.80 3df4 n ARG 124 CO 0.00 0.00 0.00 0.91 -3.04 0.00 0.00 177.63 175.50 3df4 n TRP 125 N 0.98 0.00 -3.62 2.89 5.03 -1.26 -4.99 117.44 116.47 3df4 n TRP 125 Ca 0.24 0.00 -0.22 0.00 3.03 0.00 0.00 57.50 60.55 3df4 n TRP 125 Cb 0.87 0.00 0.06 0.00 -1.03 0.00 0.00 31.31 31.22 3df4 n TRP 125 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3df4 n ASN 126 N 0.00 -3.27 -3.59 -0.99 5.03 -1.26 -4.81 115.26 106.37 3df4 n ASN 126 Ca 0.00 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.77 3df4 n ASN 126 Cb 0.00 -4.63 0.00 0.00 -1.02 0.00 0.00 39.78 34.13 3df4 n ASN 126 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3df4 n PHE 127 N -4.46 -0.77 -4.62 3.10 0.99 -1.26 -4.84 117.46 105.59 3df4 n PHE 127 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.01 3df4 n PHE 127 Cb 0.62 0.00 -0.17 0.00 -1.00 0.00 0.00 39.48 38.94 3df4 n PHE 127 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3df4 s ARG 128 N -0.17 2.09 0.22 -1.08 0.52 -1.26 -4.77 118.95 114.51 3df4 s ARG 128 Ca 0.00 -0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 3df4 s ARG 128 Cb 0.00 -1.72 -0.10 0.00 0.52 0.00 0.00 34.95 33.65 3df4 s ARG 128 CO 0.00 0.01 1.44 0.99 0.02 0.00 0.00 175.30 177.76 3df4 s THR 129 N 0.76 2.75 0.77 0.02 2.01 -1.26 -4.79 115.64 115.90 3df4 s THR 129 Ca -0.12 0.61 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 3df4 s THR 129 Cb -0.16 -3.39 0.06 0.00 0.01 0.00 0.00 72.50 69.03 3df4 s THR 129 CO 0.02 0.09 1.13 -1.10 -0.69 0.00 0.00 174.62 174.07 3df4 s GLN 130 N -0.05 2.19 -0.75 4.92 -0.21 -1.18 -4.87 119.66 119.71 3df4 s GLN 130 Ca 0.61 0.10 -0.36 0.00 0.02 0.00 0.00 55.36 55.73 3df4 s GLN 130 Cb -0.41 -2.01 -0.20 0.00 1.00 0.00 0.00 33.01 31.39 3df4 s GLN 130 CO 0.40 -1.41 2.45 -0.25 -2.12 0.00 0.00 175.29 174.36 3df4 n ASP 131 N -3.17 0.64 0.31 5.90 9.92 -1.26 -4.69 116.55 124.19 3df4 n ASP 131 Ca 0.08 0.36 0.21 0.00 -0.53 0.00 0.00 54.79 54.90 3df4 n ASP 131 Cb 0.60 -0.96 1.03 0.00 -0.64 0.00 0.00 41.12 41.16 3df4 n ASP 131 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3df4 h ALA 132 N 11.16 1.00 -3.00 2.24 0.00 -1.89 -3.42 119.26 125.34 3df4 h ALA 132 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3df4 h ALA 132 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3df4 h ALA 132 CO 1.25 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 178.13 3df4 n THR 133 N -3.02 0.00 -4.11 0.00 5.66 -1.26 -4.94 114.28 106.61 3df4 n THR 133 Ca -0.02 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.64 3df4 n THR 133 Cb 0.13 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.91 3df4 n THR 133 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3df4 n HIS 134 N 0.00 -1.96 0.00 1.09 -0.00 -1.26 -4.08 115.22 109.01 3df4 n HIS 134 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.56 3df4 n HIS 134 Cb 0.00 -3.33 0.00 0.00 -0.00 0.00 0.00 29.99 26.66 3df4 n HIS 134 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3df4 n GLY 135 N -1.50 0.75 2.34 -1.41 0.00 -1.26 -5.08 105.19 99.03 3df4 n GLY 135 Ca 0.07 -1.36 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 3df4 n GLY 135 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3df4 n ASN 136 N 0.00 -6.36 -4.35 1.61 5.15 -1.26 -4.96 115.26 105.10 3df4 n ASN 136 Ca 0.00 1.60 -0.36 0.00 -0.60 0.00 0.00 54.58 55.22 3df4 n ASN 136 Cb 0.00 -4.28 -0.13 0.00 -0.53 0.00 0.00 39.78 34.84 3df4 n ASN 136 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3df4 s SER 137 N -0.45 4.62 -1.47 1.20 0.01 -1.26 -4.56 113.70 111.78 3df4 s SER 137 Ca -0.03 -0.40 -0.05 0.00 1.31 0.00 0.00 55.95 56.77 3df4 s SER 137 Cb 0.00 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.45 3df4 s SER 137 CO 0.09 -0.05 0.47 0.18 0.41 0.00 0.00 173.24 174.34 3df4 n LEU 138 N 4.83 -2.20 -0.94 2.44 7.99 -1.26 -4.85 117.00 123.01 3df4 n LEU 138 Ca -0.17 -0.24 0.02 0.00 -0.01 0.00 0.00 56.01 55.60 3df4 n LEU 138 Cb 0.50 -2.70 0.01 0.00 -0.11 0.00 0.00 43.42 41.12 3df4 n LEU 138 CO 0.30 0.14 0.17 -1.20 -1.51 0.00 0.00 177.39 175.28 3df4 n SER 139 N -2.36 0.42 0.05 -1.43 7.64 -1.26 -4.85 113.62 111.83 3df4 n SER 139 Ca -0.11 -1.98 0.21 0.00 1.01 0.00 0.00 58.87 58.01 3df4 n SER 139 Cb 0.61 -0.23 0.70 0.00 -1.01 0.00 0.00 64.21 64.27 3df4 n SER 139 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3df4 h HIS 140 N 0.43 0.00 -0.62 1.43 3.86 -1.86 -3.38 115.15 115.01 3df4 h HIS 140 Ca -0.11 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.28 3df4 h HIS 140 Cb 1.61 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.87 3df4 h HIS 140 CO 0.12 0.00 -0.01 -0.98 0.86 0.00 0.00 177.93 177.92 3df4 s ARG 141 N -4.56 0.33 0.11 2.45 1.70 -1.26 -3.13 118.95 114.60 3df4 s ARG 141 Ca -0.04 0.61 -0.25 0.00 -0.47 0.00 0.00 55.73 55.58 3df4 s ARG 141 Cb 0.15 0.34 0.07 0.00 -0.57 0.00 0.00 34.95 34.94 3df4 s ARG 141 CO 0.52 -0.35 0.79 0.14 -1.08 0.00 0.00 175.30 175.32 3df4 s VAL 142 N 2.89 0.00 0.00 4.99 -7.23 -1.26 -5.00 120.40 114.79 3df4 s VAL 142 Ca 0.07 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 3df4 s VAL 142 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.50 3df4 s VAL 142 CO -0.15 0.00 0.56 -2.65 -0.31 0.00 0.00 175.10 172.55 3df4 n PRO 143 N -0.36 0.00 -0.02 4.82 -0.02 -1.26 -4.86 135.00 133.30 3df4 n PRO 143 Ca -0.10 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3df4 n PRO 143 Cb 0.62 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 3df4 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3df4 n GLY 144 N -0.82 -0.69 3.30 -1.23 0.00 -1.26 -4.96 105.19 99.54 3df4 n GLY 144 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 3df4 n GLY 144 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3df4 n SER 145 N -0.22 -5.30 0.08 1.61 2.88 -1.26 -4.87 113.62 106.53 3df4 n SER 145 Ca 0.00 -0.06 -0.08 0.00 -1.33 0.00 0.00 58.87 57.40 3df4 n SER 145 Cb 0.00 -1.49 0.04 0.00 -0.75 0.00 0.00 64.21 62.01 3df4 n SER 145 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3df4 h ILE 146 N 2.24 1.43 -0.18 2.46 3.07 -1.99 -3.46 117.51 121.07 3df4 h ILE 146 Ca -0.44 -2.29 0.00 0.00 1.55 0.00 0.00 64.86 63.67 3df4 h ILE 146 Cb 1.26 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 40.04 3df4 h ILE 146 CO 0.18 0.68 0.00 0.61 -1.05 0.00 0.00 178.15 178.56 3df4 n GLY 147 N 0.61 5.16 0.29 0.16 0.00 -1.26 -4.86 105.19 105.30 3df4 n GLY 147 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3df4 n GLY 147 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df4 n GLN 148 N 0.00 0.00 0.00 1.61 6.02 -1.26 -5.13 117.38 118.61 3df4 n GLN 148 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3df4 n GLN 148 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3df4 n GLN 148 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3df4 n ASN 149 N -1.28 0.00 0.02 1.08 2.85 -1.26 -5.05 115.26 111.62 3df4 n ASN 149 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 3df4 n ASN 149 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 3df4 n ASN 149 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 3df4 h GLN 150 N 0.00 -0.06 -0.84 1.20 4.15 -1.99 -1.99 115.11 115.58 3df4 h GLN 150 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 3df4 h GLN 150 Cb 0.00 0.01 -0.15 0.00 0.21 0.00 0.00 27.48 27.56 3df4 h GLN 150 CO 0.00 -0.04 -0.27 2.41 -1.93 0.00 0.00 178.83 179.00 3df4 n THR 151 N -2.53 -0.40 -0.35 2.39 -1.04 -1.26 0.16 114.28 111.24 3df4 n THR 151 Ca -0.01 1.95 0.01 0.00 -2.04 0.00 0.00 64.05 63.96 3df4 n THR 151 Cb 0.03 -2.62 0.16 0.00 -1.82 0.00 0.00 70.33 66.07 3df4 n THR 151 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3df4 h PRO 152 N 0.00 1.11 0.00 -2.82 0.11 -1.94 -3.47 132.00 124.99 3df4 h PRO 152 Ca 0.34 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3df4 h PRO 152 Cb 0.55 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3df4 h PRO 152 CO -0.85 0.74 0.00 0.41 -0.21 0.00 0.00 178.00 178.09 3df4 n GLY 153 N -1.36 1.26 0.00 -0.55 0.00 0.41 -4.92 105.19 100.04 3df4 n GLY 153 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3df4 n GLY 153 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df4 n LYS 154 N 0.00 2.30 -3.59 1.61 0.00 -1.26 -4.79 118.16 112.43 3df4 n LYS 154 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 3df4 n LYS 154 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 34.92 3df4 n LYS 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3df4 s VAL 155 N 1.49 4.68 0.61 0.58 1.01 -1.26 -4.78 120.40 122.73 3df4 s VAL 155 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 3df4 s VAL 155 Cb 0.00 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.66 3df4 s VAL 155 CO 0.00 -0.19 -0.28 0.49 0.00 0.00 0.00 175.10 175.11 3df4 n PHE 156 N 5.02 -3.41 -2.57 5.22 3.72 -1.26 -4.91 117.46 119.27 3df4 n PHE 156 Ca -0.12 0.34 -0.35 0.00 -0.05 0.00 0.00 57.45 57.27 3df4 n PHE 156 Cb 0.47 -1.61 -0.04 0.00 -0.94 0.00 0.00 39.48 37.36 3df4 n PHE 156 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3df4 s LYS 157 N -1.23 4.00 0.00 -1.08 -0.14 -1.26 -3.38 119.74 116.65 3df4 s LYS 157 Ca 0.52 1.41 0.00 0.00 -1.36 0.00 0.00 55.97 56.54 3df4 s LYS 157 Cb -0.42 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.43 3df4 s LYS 157 CO 0.69 -0.27 0.00 0.41 -0.76 0.00 0.00 175.35 175.43 3df4 n GLY 158 N -0.02 1.39 3.51 -3.33 0.00 -1.26 -4.94 105.19 100.55 3df4 n GLY 158 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3df4 n GLY 158 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df4 n LYS 159 N -2.00 0.48 -1.64 1.61 0.00 -1.22 -4.78 118.16 110.61 3df4 n LYS 159 Ca 0.00 0.01 -0.58 0.00 0.00 0.00 0.00 58.31 57.74 3df4 n LYS 159 Cb 0.00 -2.34 -0.07 0.00 0.00 0.00 0.00 35.03 32.61 3df4 n LYS 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3df4 n LYS 160 N 8.67 0.71 -3.65 1.64 5.02 -1.26 -4.93 118.16 124.36 3df4 n LYS 160 Ca 0.53 0.26 -0.02 0.00 -2.02 0.00 0.00 58.31 57.06 3df4 n LYS 160 Cb 0.25 -1.86 -0.06 0.00 -0.02 0.00 0.00 35.03 33.34 3df4 n LYS 160 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3df4 s MET 161 N 1.80 0.02 0.00 1.97 0.23 -1.26 -5.08 119.30 116.98 3df4 s MET 161 Ca 0.94 0.02 0.00 0.00 -1.03 0.00 0.00 55.69 55.62 3df4 s MET 161 Cb -1.15 0.01 0.00 0.00 -1.53 0.00 0.00 34.83 32.16 3df4 s MET 161 CO 0.61 -0.00 0.00 0.00 -2.03 0.00 0.00 175.02 173.60 3df4 n ALA 162 N 1.25 0.00 -0.90 3.16 0.00 -1.26 -4.94 120.51 117.83 3df4 n ALA 162 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3df4 n ALA 162 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3df4 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 163 N 0.00 -4.04 3.39 0.00 0.00 -1.26 -4.17 105.19 99.12 3df4 n GLY 163 Ca 0.00 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 3df4 n GLY 163 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3df4 n GLN 164 N -0.46 0.35 -4.31 1.61 -0.06 -1.25 -4.15 117.38 109.10 3df4 n GLN 164 Ca 0.00 0.13 -0.18 0.00 -2.00 0.00 0.00 57.00 54.95 3df4 n GLN 164 Cb 0.00 -1.42 -0.10 0.00 -4.06 0.00 0.00 30.24 24.66 3df4 n GLN 164 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 3df4 s MET 165 N -1.60 1.23 1.11 3.69 -2.45 -0.99 -4.86 119.30 115.42 3df4 s MET 165 Ca 0.64 -1.48 0.00 0.00 -1.25 0.00 0.00 55.69 53.60 3df4 s MET 165 Cb -0.51 -1.05 0.00 0.00 1.25 0.00 0.00 34.83 34.53 3df4 s MET 165 CO 0.59 0.18 0.00 0.41 1.05 0.00 0.00 175.02 177.25 3df4 n GLY 166 N -0.09 -1.20 3.27 2.11 0.00 -1.26 0.12 105.19 108.14 3df4 n GLY 166 Ca -0.10 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 3df4 n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3df4 n ASN 167 N -3.66 -6.92 -3.32 1.61 5.15 -1.26 -4.61 115.26 102.26 3df4 n ASN 167 Ca 0.00 -0.32 -0.07 0.00 -0.60 0.00 0.00 54.58 53.60 3df4 n ASN 167 Cb 0.27 -4.21 0.01 0.00 -0.53 0.00 0.00 39.78 35.31 3df4 n ASN 167 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3df4 s GLU 168 N -3.55 1.93 0.00 1.20 -1.05 -1.26 -4.89 118.70 111.08 3df4 s GLU 168 Ca 0.01 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 3df4 s GLU 168 Cb -0.00 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 3df4 s GLU 168 CO 0.80 -0.90 0.05 0.54 0.95 0.00 0.00 175.26 176.69 3df4 n ARG 169 N -0.52 0.00 -1.52 -4.83 1.74 -1.26 -2.87 116.66 107.40 3df4 n ARG 169 Ca -0.06 0.03 0.08 0.00 -0.77 0.00 0.00 57.85 57.12 3df4 n ARG 169 Cb 0.60 -0.55 -0.04 0.00 -1.02 0.00 0.00 32.46 31.45 3df4 n ARG 169 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3df4 n VAL 170 N -0.07 -1.99 0.00 1.55 0.24 -1.26 -4.26 118.33 112.54 3df4 n VAL 170 Ca 0.00 1.21 0.00 0.00 -2.04 0.00 0.00 64.34 63.51 3df4 n VAL 170 Cb 0.00 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.43 3df4 n VAL 170 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3df4 n THR 171 N -3.38 0.00 0.00 3.34 5.66 -1.26 -4.11 114.28 114.52 3df4 n THR 171 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 3df4 n THR 171 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 3df4 n THR 171 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3df4 n VAL 172 N 0.00 0.00 -1.25 1.08 0.31 -1.24 -4.48 118.33 112.76 3df4 n VAL 172 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 3df4 n VAL 172 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3df4 n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df4 n GLN 173 N 0.00 -3.22 0.00 5.55 6.02 -0.96 -4.89 117.38 119.88 3df4 n GLN 173 Ca 0.00 2.52 0.00 0.00 -0.01 0.00 0.00 57.00 59.51 3df4 n GLN 173 Cb 0.00 -3.22 0.00 0.00 1.02 0.00 0.00 30.24 28.04 3df4 n GLN 173 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3df4 n SER 174 N -2.68 0.00 -1.97 1.08 2.88 -1.15 -4.90 113.62 106.87 3df4 n SER 174 Ca -0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.50 3df4 n SER 174 Cb 0.42 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 3df4 n SER 174 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3df4 n LEU 175 N 0.00 -4.13 -4.52 2.46 4.77 -1.26 -4.21 117.00 110.11 3df4 n LEU 175 Ca 0.00 1.23 -0.35 0.00 -0.03 0.00 0.00 56.01 56.86 3df4 n LEU 175 Cb 0.00 -2.15 0.09 0.00 -2.33 0.00 0.00 43.42 39.03 3df4 n LEU 175 CO 0.00 -1.92 0.22 0.47 -1.33 0.00 0.00 177.39 174.83 3df4 n ASP 176 N 0.87 -0.72 -4.92 -1.43 8.00 -1.26 -4.54 116.55 112.55 3df4 n ASP 176 Ca -0.17 0.56 -0.29 0.00 0.71 0.00 0.00 54.79 55.61 3df4 n ASP 176 Cb 0.27 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.12 40.04 3df4 n ASP 176 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3df4 s VAL 177 N -1.99 5.30 0.00 2.53 -7.23 -1.24 -0.20 120.40 117.56 3df4 s VAL 177 Ca 0.67 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 3df4 s VAL 177 Cb -0.32 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 32.97 3df4 s VAL 177 CO 0.57 0.04 0.00 0.52 -0.31 0.00 0.00 175.10 175.92 3df4 n VAL 178 N -0.07 0.00 -1.51 1.32 0.31 0.19 -4.88 118.33 113.70 3df4 n VAL 178 Ca -0.06 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 63.80 3df4 n VAL 178 Cb 0.52 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.40 3df4 n VAL 178 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df4 n ARG 179 N 0.00 1.43 -3.05 5.55 1.74 -1.26 -4.62 116.66 116.45 3df4 n ARG 179 Ca 0.00 0.38 -0.36 0.00 -0.77 0.00 0.00 57.85 57.10 3df4 n ARG 179 Cb 0.00 -2.79 -0.02 0.00 -1.02 0.00 0.00 32.46 28.63 3df4 n ARG 179 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3df4 n VAL 180 N 7.45 4.35 -3.25 1.55 0.31 -1.26 -2.71 118.33 124.77 3df4 n VAL 180 Ca 0.37 -5.70 -0.38 0.00 -0.01 0.00 0.00 64.34 58.61 3df4 n VAL 180 Cb 0.32 -1.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.30 3df4 n VAL 180 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3df4 s ASP 181 N -2.14 6.76 0.00 4.52 2.15 -1.18 -4.89 116.67 121.90 3df4 s ASP 181 Ca 0.37 0.91 0.00 0.00 0.43 0.00 0.00 52.55 54.26 3df4 s ASP 181 Cb 0.13 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 3df4 s ASP 181 CO -0.00 -0.02 0.00 0.00 -0.17 0.00 0.00 175.17 174.98 3df4 n ALA 182 N 3.65 0.00 -2.87 3.66 0.00 -1.26 -2.96 120.51 120.73 3df4 n ALA 182 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 3df4 n ALA 182 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 3df4 n ALA 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3df4 n GLU 183 N 0.00 -2.62 0.00 0.00 1.02 -1.26 -4.06 120.64 113.73 3df4 n GLU 183 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3df4 n GLU 183 Cb 0.00 -4.77 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 3df4 n GLU 183 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3df4 n ARG 184 N -2.93 0.00 -3.92 3.49 1.85 -1.26 -5.02 116.66 108.86 3df4 n ARG 184 Ca -0.02 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.43 3df4 n ARG 184 Cb 0.52 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.96 3df4 n ARG 184 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3df4 n ASN 185 N 0.00 -4.63 -3.93 2.89 3.02 -1.26 -4.93 115.26 106.41 3df4 n ASN 185 Ca 0.00 -1.18 -0.16 0.00 -0.03 0.00 0.00 54.58 53.21 3df4 n ASN 185 Cb 0.03 -2.31 -0.15 0.00 -0.61 0.00 0.00 39.78 36.74 3df4 n ASN 185 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3df4 s LEU 186 N -7.02 1.92 0.12 3.41 2.96 -1.16 -2.62 118.68 116.29 3df4 s LEU 186 Ca 0.47 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 3df4 s LEU 186 Cb -0.23 -0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 3df4 s LEU 186 CO 0.93 0.04 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.66 3df4 s LEU 187 N 0.02 2.42 -0.06 -0.68 2.96 -0.23 -3.09 118.68 120.02 3df4 s LEU 187 Ca 0.00 -0.83 0.01 0.00 -0.22 0.00 0.00 54.13 53.09 3df4 s LEU 187 Cb -0.03 -0.44 0.02 0.00 0.50 0.00 0.00 46.19 46.24 3df4 s LEU 187 CO -0.00 -0.21 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.00 3df4 s LEU 188 N -2.52 1.32 0.55 -0.68 1.43 -1.10 -2.31 118.68 115.38 3df4 s LEU 188 Ca 0.08 -0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 3df4 s LEU 188 Cb -0.03 -0.57 0.06 0.00 0.03 0.00 0.00 46.19 45.68 3df4 s LEU 188 CO 0.02 -0.05 0.62 0.68 0.23 0.00 0.00 176.35 177.84 3df4 s VAL 189 N 1.02 1.98 0.20 -1.59 -7.23 -1.25 0.57 120.40 114.10 3df4 s VAL 189 Ca -0.09 -1.21 0.27 0.00 -1.81 0.00 0.00 61.98 59.14 3df4 s VAL 189 Cb -0.14 -2.19 0.28 0.00 0.56 0.00 0.00 36.38 34.89 3df4 s VAL 189 CO -0.00 0.00 1.92 0.50 -0.31 0.00 0.00 175.10 177.21 3df4 h LYS 190 N 0.44 0.00 0.00 4.82 3.11 -0.80 -3.37 116.57 120.77 3df4 h LYS 190 Ca -0.33 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 3df4 h LYS 190 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 3df4 h LYS 190 CO 0.48 0.15 0.00 0.41 -2.81 0.00 0.00 179.45 177.68 3df4 n GLY 191 N -0.08 3.47 2.09 5.01 0.00 -1.25 -3.72 105.19 110.72 3df4 n GLY 191 Ca -0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 3df4 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n ALA 192 N -1.09 -3.18 -2.42 4.61 0.00 -1.26 -4.86 120.51 112.31 3df4 n ALA 192 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.55 3df4 n ALA 192 Cb 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 3df4 n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3df4 s VAL 193 N -1.02 1.78 0.00 0.00 -7.23 -1.26 -5.05 120.40 107.63 3df4 s VAL 193 Ca 0.03 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3df4 s VAL 193 Cb -0.01 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3df4 s VAL 193 CO 0.37 -0.44 0.00 -0.81 -0.31 0.00 0.00 175.10 173.92 3df4 n PRO 194 N 0.01 1.21 -0.77 4.82 -0.04 -1.26 -4.89 135.00 134.07 3df4 n PRO 194 Ca -0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.46 3df4 n PRO 194 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.02 3df4 n PRO 194 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3df4 n GLY 195 N 0.00 -1.66 2.64 0.55 0.00 -1.25 -4.82 105.19 100.64 3df4 n GLY 195 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 3df4 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n ALA 196 N -1.32 -0.66 -1.83 4.61 0.00 -1.26 -4.65 120.51 115.40 3df4 n ALA 196 Ca 0.01 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.68 3df4 n ALA 196 Cb 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3df4 n ALA 196 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3df4 n THR 197 N 1.77 -5.82 0.00 0.00 -1.04 -1.24 -4.48 114.28 103.47 3df4 n THR 197 Ca 0.13 2.68 0.00 0.00 -2.04 0.00 0.00 64.05 64.82 3df4 n THR 197 Cb 0.60 -3.58 0.00 0.00 -1.82 0.00 0.00 70.33 65.53 3df4 n THR 197 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3df4 n GLY 198 N -0.17 1.68 3.76 3.41 0.00 0.43 -4.90 105.19 109.40 3df4 n GLY 198 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3df4 n GLY 198 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3df4 s SER 199 N -0.78 5.72 0.13 1.61 0.01 -1.26 -4.63 113.70 114.50 3df4 s SER 199 Ca 0.00 2.85 -0.30 0.00 1.31 0.00 0.00 55.95 59.81 3df4 s SER 199 Cb 0.00 -2.65 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 3df4 s SER 199 CO 0.00 -1.28 0.94 -1.81 0.41 0.00 0.00 173.24 171.51 3df4 s ASP 200 N -0.67 7.50 0.09 2.44 1.01 -1.26 -0.26 116.67 125.51 3df4 s ASP 200 Ca 0.64 1.79 0.08 0.00 0.71 0.00 0.00 52.55 55.77 3df4 s ASP 200 Cb -0.42 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 40.89 3df4 s ASP 200 CO 0.53 -0.02 -0.20 -0.76 0.21 0.00 0.00 175.17 174.92 3df4 s LEU 201 N -0.19 2.27 -0.61 1.23 1.43 0.46 -4.05 118.68 119.22 3df4 s LEU 201 Ca 0.45 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3df4 s LEU 201 Cb -0.24 -0.87 0.15 0.00 0.03 0.00 0.00 46.19 45.27 3df4 s LEU 201 CO 0.30 0.07 0.39 -0.63 0.23 0.00 0.00 176.35 176.70 3df4 s ILE 202 N -1.09 2.92 0.00 -0.59 1.09 0.11 -0.53 121.20 123.12 3df4 s ILE 202 Ca 0.06 -3.63 -0.28 0.00 -1.10 0.00 0.00 60.65 55.70 3df4 s ILE 202 Cb -0.10 -2.96 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 3df4 s ILE 202 CO 0.04 -0.89 0.88 0.54 -0.10 0.00 0.00 174.94 175.40 3df4 s VAL 203 N -0.71 4.85 0.11 2.92 0.11 -0.71 -2.95 120.40 124.02 3df4 s VAL 203 Ca 0.20 1.85 -0.15 0.00 -2.93 0.00 0.00 61.98 60.95 3df4 s VAL 203 Cb -0.17 -4.22 0.03 0.00 -1.53 0.00 0.00 36.38 30.48 3df4 s VAL 203 CO -0.06 0.23 0.36 -1.59 -3.33 0.00 0.00 175.10 170.70 3df4 s LYS 204 N 0.68 0.99 0.19 1.54 -2.85 -1.26 -1.28 119.74 117.76 3df4 s LYS 204 Ca 0.46 -0.71 -0.33 0.00 -1.00 0.00 0.00 55.97 54.39 3df4 s LYS 204 Cb -0.20 0.43 -0.13 0.00 -2.06 0.00 0.00 37.83 35.87 3df4 s LYS 204 CO 0.25 -0.37 1.58 -0.35 0.10 0.00 0.00 175.35 176.56 3df4 n PRO 205 N -0.07 2.30 -1.67 1.78 -0.04 -1.26 0.19 135.00 136.23 3df4 n PRO 205 Ca -0.16 0.83 -0.56 0.00 -0.04 0.00 0.00 63.50 63.56 3df4 n PRO 205 Cb 0.63 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.43 3df4 n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3df4 n ALA 206 N 3.15 0.10 0.24 0.55 0.00 -1.23 -4.51 120.51 118.81 3df4 n ALA 206 Ca 0.15 0.32 0.07 0.00 0.00 0.00 0.00 53.44 53.98 3df4 n ALA 206 Cb 0.31 -2.29 0.58 0.00 0.00 0.00 0.00 19.45 18.05 3df4 n ALA 206 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3df4 h VAL 207 N 5.54 1.00 -3.21 0.00 -1.51 -1.90 -3.44 116.25 112.74 3df4 h VAL 207 Ca -0.43 -0.49 -0.45 0.00 -1.23 0.00 0.00 66.70 64.09 3df4 h VAL 207 Cb 1.32 1.27 0.08 0.00 -2.13 0.00 0.00 31.29 31.83 3df4 h VAL 207 CO 0.97 0.14 0.15 -0.54 -1.23 0.00 0.00 177.57 177.06 3df4 s LYS 208 N -4.63 2.11 0.00 5.19 1.02 -1.26 -5.19 119.74 116.98 3df4 s LYS 208 Ca -0.04 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.42 3df4 s LYS 208 Cb 0.15 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3df4 s LYS 208 CO 0.67 -1.21 0.32 0.00 -0.92 0.00 0.00 175.35 174.21