#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 h VAL 2 N 0.00 0.00 -3.63 0.00 -1.51 -1.83 0.54 116.25 109.82 3df4 h VAL 2 Ca 0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 3df4 h VAL 2 Cb 0.00 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 3df4 h VAL 2 CO 0.00 0.00 -0.84 0.52 -1.23 0.00 0.00 177.57 176.02 3df4 n VAL 3 N -4.28 -6.03 0.00 7.19 0.31 -1.26 -1.65 118.33 112.61 3df4 n VAL 3 Ca -0.03 2.40 0.00 0.00 -0.01 0.00 0.00 64.34 66.70 3df4 n VAL 3 Cb 0.11 -3.39 0.00 0.00 -0.91 0.00 0.00 33.84 29.65 3df4 n VAL 3 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3df4 n LYS 4 N 0.55 0.00 0.00 5.55 0.00 -1.26 -1.41 118.16 121.58 3df4 n LYS 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3df4 n LYS 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3df4 n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df4 s LYS 6 N -0.72 4.52 0.00 0.00 2.20 -1.26 -4.85 119.74 119.63 3df4 s LYS 6 Ca 0.00 1.95 -0.02 0.00 -0.36 0.00 0.00 55.97 57.55 3df4 s LYS 6 Cb 0.00 -3.16 -0.08 0.00 -1.51 0.00 0.00 37.83 33.08 3df4 s LYS 6 CO 0.00 0.02 1.52 -2.30 -0.36 0.00 0.00 175.35 174.23 3df4 n PRO 7 N 1.35 0.72 0.00 4.03 -0.02 -1.26 -4.33 135.00 135.49 3df4 n PRO 7 Ca 0.00 -0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.28 3df4 n PRO 7 Cb 0.44 -1.58 0.45 0.00 -0.02 0.00 0.00 33.50 32.79 3df4 n PRO 7 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3df4 n THR 8 N 2.46 0.39 -3.59 3.45 -2.24 -1.26 -4.76 114.28 108.73 3df4 n THR 8 Ca 0.12 0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3df4 n THR 8 Cb 0.34 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 3df4 n THR 8 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3df4 s SER 9 N -2.44 -0.43 0.22 3.42 0.15 -1.26 -5.08 113.70 108.28 3df4 s SER 9 Ca 0.18 0.58 -0.30 0.00 0.70 0.00 0.00 55.95 57.11 3df4 s SER 9 Cb 0.11 0.49 -0.09 0.00 -1.71 0.00 0.00 66.02 64.83 3df4 s SER 9 CO 0.24 -0.33 1.37 -2.16 1.20 0.00 0.00 173.24 173.56 3df4 s PRO 10 N -0.77 4.33 0.00 5.44 0.04 -1.26 -1.55 135.00 141.23 3df4 s PRO 10 Ca -0.02 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3df4 s PRO 10 Cb -0.02 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3df4 s PRO 10 CO 0.01 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.13 3df4 n GLY 11 N 2.26 2.97 1.35 0.56 0.00 -1.26 -4.70 105.19 106.37 3df4 n GLY 11 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3df4 n GLY 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df4 n ARG 12 N -0.90 3.49 -0.02 1.61 0.00 -0.60 -1.90 116.66 118.34 3df4 n ARG 12 Ca 0.00 -2.76 -0.21 0.00 -0.00 0.00 0.00 57.85 54.88 3df4 n ARG 12 Cb 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 32.46 30.54 3df4 n ARG 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3df4 h ARG 13 N 3.47 0.19 0.00 -0.14 2.43 -1.70 -3.36 114.38 115.26 3df4 h ARG 13 Ca 0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3df4 h ARG 13 Cb 1.34 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 3df4 h ARG 13 CO 0.19 1.15 0.00 0.45 -1.51 0.00 0.00 179.97 180.26 3df4 h HIS 14 N -0.45 0.00 -1.15 2.20 3.86 -1.89 -3.43 115.15 114.29 3df4 h HIS 14 Ca -0.29 0.00 -0.80 0.00 -1.16 0.00 0.00 60.37 58.12 3df4 h HIS 14 Cb 1.64 0.00 0.03 0.00 1.06 0.00 0.00 27.41 30.14 3df4 h HIS 14 CO 0.13 0.00 0.39 0.28 0.86 0.00 0.00 177.93 179.59 3df4 n VAL 15 N -2.63 0.03 -3.62 2.45 0.31 -1.26 -4.78 118.33 108.83 3df4 n VAL 15 Ca 0.05 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 3df4 n VAL 15 Cb 0.47 -0.39 -0.15 0.00 -0.91 0.00 0.00 33.84 32.86 3df4 n VAL 15 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3df4 s VAL 16 N 1.35 0.24 0.00 2.52 1.01 -1.26 -3.03 120.40 121.23 3df4 s VAL 16 Ca 0.95 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3df4 s VAL 16 Cb -1.28 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3df4 s VAL 16 CO 0.64 -0.61 0.00 0.29 0.00 0.00 0.00 175.10 175.42 3df4 n LYS 17 N 5.13 2.10 -2.67 2.72 5.02 -0.50 -2.84 118.16 127.11 3df4 n LYS 17 Ca -0.05 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.20 3df4 n LYS 17 Cb 0.43 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.55 3df4 n LYS 17 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3df4 n VAL 18 N -0.13 0.00 -2.12 -0.18 3.14 -0.66 -4.53 118.33 113.84 3df4 n VAL 18 Ca 0.00 -0.72 -0.42 0.00 -2.96 0.00 0.00 64.34 60.25 3df4 n VAL 18 Cb 0.00 1.11 -0.03 0.00 -1.06 0.00 0.00 33.84 33.86 3df4 n VAL 18 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3df4 s VAL 19 N 0.06 3.06 -0.68 1.55 -7.23 0.19 -4.70 120.40 112.65 3df4 s VAL 19 Ca 0.21 0.82 0.05 0.00 -1.81 0.00 0.00 61.98 61.25 3df4 s VAL 19 Cb 0.29 -3.52 0.17 0.00 0.56 0.00 0.00 36.38 33.88 3df4 s VAL 19 CO -0.19 0.10 0.48 0.21 -0.31 0.00 0.00 175.10 175.39 3df4 s ASN 20 N 0.72 4.62 0.59 4.85 3.84 -1.26 -0.15 114.94 128.15 3df4 s ASN 20 Ca 0.62 -3.78 0.31 0.00 0.21 0.00 0.00 52.86 50.22 3df4 s ASN 20 Cb -0.39 -1.57 1.27 0.00 -0.55 0.00 0.00 41.25 40.02 3df4 s ASN 20 CO 0.35 -0.09 1.60 1.55 -2.79 0.00 0.00 177.10 177.71 3df4 h PRO 21 N 5.46 0.00 -0.05 0.43 0.13 -1.95 0.21 132.00 136.23 3df4 h PRO 21 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3df4 h PRO 21 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3df4 h PRO 21 CO 0.70 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 3df4 n GLU 22 N -3.57 1.01 -3.32 0.86 0.28 -1.26 -4.77 120.64 109.87 3df4 n GLU 22 Ca 0.20 -0.02 -0.39 0.00 -0.16 0.00 0.00 57.16 56.80 3df4 n GLU 22 Cb 1.24 -1.02 -0.08 0.00 1.43 0.00 0.00 31.44 33.01 3df4 n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3df4 s LEU 23 N -0.96 4.11 -0.49 -1.84 1.02 0.73 -4.49 118.68 116.77 3df4 s LEU 23 Ca 0.00 0.52 -0.44 0.00 0.02 0.00 0.00 54.13 54.23 3df4 s LEU 23 Cb 0.00 -2.58 -0.19 0.00 0.02 0.00 0.00 46.19 43.45 3df4 s LEU 23 CO 0.00 -0.16 2.04 1.57 0.02 0.00 0.00 176.35 179.82 3df4 n HIS 24 N 4.92 1.32 1.72 0.29 -0.00 -0.39 -4.79 115.22 118.29 3df4 n HIS 24 Ca -0.07 0.80 0.15 0.00 -0.00 0.00 0.00 57.72 58.61 3df4 n HIS 24 Cb 0.51 -2.30 0.80 0.00 -0.00 0.00 0.00 29.99 29.00 3df4 n HIS 24 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3df4 n LYS 25 N 6.88 0.90 0.00 1.57 5.02 -1.26 -4.74 118.16 126.52 3df4 n LYS 25 Ca 0.49 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3df4 n LYS 25 Cb -0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 3df4 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df4 n GLY 26 N 1.13 0.95 3.89 0.72 0.00 -1.26 -5.09 105.19 105.52 3df4 n GLY 26 Ca 0.20 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 3df4 n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3df4 s LYS 27 N 1.07 3.23 0.77 1.61 2.47 -1.26 -5.10 119.74 122.52 3df4 s LYS 27 Ca 0.00 -0.74 -0.11 0.00 -1.56 0.00 0.00 55.97 53.56 3df4 s LYS 27 Cb 0.00 -2.82 0.05 0.00 -1.46 0.00 0.00 37.83 33.60 3df4 s LYS 27 CO 0.00 0.49 1.08 -1.25 0.16 0.00 0.00 175.35 175.83 3df4 s PRO 28 N -3.32 2.32 -0.69 4.03 0.04 -1.26 -4.93 135.00 131.19 3df4 s PRO 28 Ca 0.33 0.80 -0.26 0.00 0.04 0.00 0.00 61.00 61.91 3df4 s PRO 28 Cb -0.10 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3df4 s PRO 28 CO 0.27 -1.49 2.05 0.12 0.04 0.00 0.00 177.00 177.98 3df4 s PHE 29 N -3.08 1.53 0.22 0.56 5.36 -1.26 -4.87 117.98 116.43 3df4 s PHE 29 Ca 0.60 1.03 -0.20 0.00 -0.96 0.00 0.00 56.93 57.41 3df4 s PHE 29 Cb -0.15 -3.91 0.19 0.00 -0.34 0.00 0.00 43.02 38.81 3df4 s PHE 29 CO 0.55 -2.11 1.53 0.00 -1.46 0.00 0.00 175.22 173.73 3df4 n ALA 30 N 14.36 -0.21 -0.15 11.12 0.00 -1.26 -2.37 120.51 142.01 3df4 n ALA 30 Ca 0.32 0.96 -0.00 0.00 0.00 0.00 0.00 53.44 54.71 3df4 n ALA 30 Cb 0.50 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 3df4 n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3df4 n PRO 31 N -5.42 0.29 0.00 0.00 -0.04 -1.26 -1.24 135.00 127.33 3df4 n PRO 31 Ca 0.09 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3df4 n PRO 31 Cb 0.37 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3df4 n PRO 31 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3df4 n LEU 32 N 2.01 0.00 -4.94 1.53 4.77 -1.00 -5.09 117.00 114.27 3df4 n LEU 32 Ca 0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.75 3df4 n LEU 32 Cb 0.14 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 3df4 n LEU 32 CO 0.03 0.08 0.48 -0.76 -1.33 0.00 0.00 177.39 175.89 3df4 s LEU 33 N 0.00 3.16 -0.35 2.23 1.43 -0.37 -2.78 118.68 122.00 3df4 s LEU 33 Ca 0.00 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 3df4 s LEU 33 Cb 0.00 -3.15 0.32 0.00 0.03 0.00 0.00 46.19 43.39 3df4 s LEU 33 CO 0.00 -1.21 1.33 -1.84 0.23 0.00 0.00 176.35 174.86 3df4 n GLU 34 N -2.55 0.31 -0.35 1.70 0.28 -0.80 -4.96 120.64 114.26 3df4 n GLU 34 Ca 0.06 -0.94 0.05 0.00 -0.16 0.00 0.00 57.16 56.17 3df4 n GLU 34 Cb 0.59 -0.34 -0.01 0.00 1.43 0.00 0.00 31.44 33.11 3df4 n GLU 34 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3df4 n LYS 35 N 0.60 -0.70 0.00 3.44 4.81 -1.26 -4.78 118.16 120.27 3df4 n LYS 35 Ca -0.03 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3df4 n LYS 35 Cb 0.74 -0.85 0.00 0.00 0.02 0.00 0.00 35.03 34.94 3df4 n LYS 35 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3df4 n ASN 36 N -3.88 0.00 -2.22 3.14 2.85 -1.26 -3.26 115.26 110.62 3df4 n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3df4 n ASN 36 Cb 0.16 0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.32 3df4 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3df4 n SER 37 N -1.76 -9.02 -4.77 1.20 7.64 -1.26 -4.94 113.62 100.71 3df4 n SER 37 Ca 0.00 1.69 -0.33 0.00 1.01 0.00 0.00 58.87 61.24 3df4 n SER 37 Cb 0.00 -4.92 0.06 0.00 -1.01 0.00 0.00 64.21 58.34 3df4 n SER 37 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3df4 s LYS 38 N -0.73 2.64 -0.11 1.43 -0.14 -1.26 -4.99 119.74 116.58 3df4 s LYS 38 Ca 0.00 1.39 -0.04 0.00 -1.36 0.00 0.00 55.97 55.95 3df4 s LYS 38 Cb 0.00 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 3df4 s LYS 38 CO 0.00 -1.37 -0.14 -1.13 -0.76 0.00 0.00 175.35 171.95 3df4 n SER 39 N -2.64 1.24 0.00 2.83 3.41 -1.26 -5.02 113.62 112.19 3df4 n SER 39 Ca 0.10 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3df4 n SER 39 Cb 0.52 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3df4 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df4 n GLY 40 N 2.43 0.74 1.39 5.00 0.00 -1.26 -3.85 105.19 109.64 3df4 n GLY 40 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3df4 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 41 N -2.17 0.57 3.95 -0.02 0.00 -1.25 -4.67 105.19 101.59 3df4 n GLY 41 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 3df4 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3df4 s ARG 42 N -1.32 3.07 0.00 1.61 3.00 -1.25 0.67 118.95 124.73 3df4 s ARG 42 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 55.73 55.31 3df4 s ARG 42 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 34.95 32.42 3df4 s ARG 42 CO 0.00 -0.31 0.00 -1.71 0.00 0.00 0.00 175.30 173.28 3df4 n ASN 43 N -2.13 1.04 0.16 0.23 4.05 0.04 -4.73 115.26 113.90 3df4 n ASN 43 Ca 0.02 -0.68 0.01 0.00 0.45 0.00 0.00 54.58 54.38 3df4 n ASN 43 Cb 0.58 0.00 0.33 0.00 1.23 0.00 0.00 39.78 41.91 3df4 n ASN 43 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 3df4 h ASN 44 N 0.00 0.08 1.26 1.20 2.35 -2.00 -1.37 115.58 117.10 3df4 h ASN 44 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3df4 h ASN 44 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3df4 h ASN 44 CO 0.00 0.44 0.00 0.78 -1.65 0.00 0.00 177.43 177.00 3df4 h ASN 45 N 0.07 0.00 0.00 5.81 2.35 -2.04 -3.46 115.58 118.31 3df4 h ASN 45 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3df4 h ASN 45 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3df4 h ASN 45 CO 0.05 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.44 3df4 n GLY 46 N 0.76 0.75 3.81 2.83 0.00 -0.52 -5.06 105.19 107.78 3df4 n GLY 46 Ca 0.04 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3df4 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3df4 s ARG 47 N -0.61 3.98 -0.23 1.61 3.00 -1.26 -4.63 118.95 120.80 3df4 s ARG 47 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 55.73 55.79 3df4 s ARG 47 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 34.95 31.64 3df4 s ARG 47 CO 0.00 0.58 1.85 0.42 0.00 0.00 0.00 175.30 178.15 3df4 s ILE 48 N -0.68 3.40 -0.11 1.52 1.01 -1.25 -0.78 121.20 124.30 3df4 s ILE 48 Ca 0.23 0.43 -0.12 0.00 0.00 0.00 0.00 60.65 61.19 3df4 s ILE 48 Cb -0.16 -3.46 -0.27 0.00 0.01 0.00 0.00 42.46 38.59 3df4 s ILE 48 CO 0.11 -0.24 0.47 0.71 0.00 0.00 0.00 174.94 176.00 3df4 h THR 49 N 6.53 0.83 -3.76 2.92 1.35 -0.06 -3.44 112.91 117.28 3df4 h THR 49 Ca -0.37 -2.38 -0.67 0.00 -0.55 0.00 0.00 66.41 62.44 3df4 h THR 49 Cb 1.19 2.59 -0.37 0.00 -1.73 0.00 0.00 68.15 69.83 3df4 h THR 49 CO 0.99 0.78 -0.73 -0.89 -0.25 0.00 0.00 175.52 175.42 3df4 s THR 50 N -2.52 2.45 1.08 6.82 2.01 -1.21 -5.10 115.64 119.17 3df4 s THR 50 Ca -0.21 -1.85 -0.15 0.00 0.31 0.00 0.00 61.69 59.78 3df4 s THR 50 Cb 0.06 -2.57 0.19 0.00 0.01 0.00 0.00 72.50 70.18 3df4 s THR 50 CO 0.77 -0.28 0.35 0.54 -0.69 0.00 0.00 174.62 175.32 3df4 n ARG 51 N 4.42 -2.52 -3.19 4.92 1.74 -1.26 -4.49 116.66 116.29 3df4 n ARG 51 Ca -0.07 -0.74 -0.02 0.00 -0.77 0.00 0.00 57.85 56.24 3df4 n ARG 51 Cb 0.42 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3df4 n ARG 51 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3df4 n HIS 52 N -4.59 -0.35 0.00 -1.55 8.25 -1.26 -5.01 115.22 110.71 3df4 n HIS 52 Ca 0.06 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3df4 n HIS 52 Cb 0.42 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 30.33 3df4 n HIS 52 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3df4 n ILE 53 N 1.17 0.00 -0.58 1.59 3.06 -1.26 -4.55 119.36 118.79 3df4 n ILE 53 Ca -0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3df4 n ILE 53 Cb 0.49 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.67 3df4 n ILE 53 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3df4 n GLY 54 N 0.00 2.22 4.99 4.50 0.00 -1.26 -3.94 105.19 111.71 3df4 n GLY 54 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3df4 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 55 N 0.00 1.15 2.67 -0.02 0.00 -1.26 -4.07 105.19 103.66 3df4 n GLY 55 Ca 0.00 0.47 0.14 0.00 0.00 0.00 0.00 46.02 46.63 3df4 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 56 N 0.00 -1.72 0.00 -0.02 0.00 -1.21 -4.76 105.19 97.47 3df4 n GLY 56 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3df4 n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3df4 n HIS 57 N -3.46 0.00 -0.10 1.61 -0.00 -1.25 -4.75 115.22 107.26 3df4 n HIS 57 Ca 0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.49 3df4 n HIS 57 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.34 3df4 n HIS 57 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 3df4 n LYS 58 N 0.00 0.61 -3.00 1.57 3.00 -1.26 -5.01 118.16 114.06 3df4 n LYS 58 Ca 0.00 0.40 -0.05 0.00 -0.00 0.00 0.00 58.31 58.66 3df4 n LYS 58 Cb 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 35.03 33.39 3df4 n LYS 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3df4 n GLN 59 N -4.15 -1.99 -3.08 1.64 6.02 -1.26 -4.81 117.38 109.74 3df4 n GLN 59 Ca -0.41 1.81 -0.42 0.00 -0.01 0.00 0.00 57.00 57.97 3df4 n GLN 59 Cb 0.82 -3.40 -0.06 0.00 1.02 0.00 0.00 30.24 28.62 3df4 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3df4 s ALA 60 N -1.49 3.44 0.35 -1.58 0.00 -1.26 -4.58 121.76 116.64 3df4 s ALA 60 Ca 0.07 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 3df4 s ALA 60 Cb -0.01 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 3df4 s ALA 60 CO 0.50 -1.41 1.46 -0.47 0.00 0.00 0.00 175.76 175.84 3df4 s TYR 61 N 2.79 2.73 0.00 0.00 5.04 -1.20 -4.88 117.35 121.83 3df4 s TYR 61 Ca 0.25 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 3df4 s TYR 61 Cb -0.14 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.22 3df4 s TYR 61 CO 0.16 -2.81 0.00 0.54 -1.34 0.00 0.00 175.55 172.09 3df4 n ARG 62 N 0.88 0.00 0.00 4.97 3.00 -1.26 -1.91 116.66 122.34 3df4 n ARG 62 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 3df4 n ARG 62 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 3df4 n ARG 62 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3df4 n ILE 63 N 0.00 0.00 0.00 0.55 2.08 -1.12 -4.38 119.36 116.49 3df4 n ILE 63 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3df4 n ILE 63 Cb 0.00 -0.57 0.00 0.00 -0.75 0.00 0.00 39.64 38.32 3df4 n ILE 63 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3df4 n VAL 64 N -2.49 0.00 -1.06 1.39 0.31 -1.26 -4.82 118.33 110.39 3df4 n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3df4 n VAL 64 Cb 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 3df4 n VAL 64 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3df4 n ASP 65 N 3.70 -1.48 -0.00 4.52 2.03 -1.26 -3.17 116.55 120.88 3df4 n ASP 65 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 3df4 n ASP 65 Cb 0.00 -0.74 -0.14 0.00 -0.72 0.00 0.00 41.12 39.52 3df4 n ASP 65 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3df4 n PHE 66 N 0.33 0.06 -0.29 -0.67 3.01 -1.26 -4.22 117.46 114.41 3df4 n PHE 66 Ca 0.00 0.02 -0.05 0.00 1.01 0.00 0.00 57.45 58.43 3df4 n PHE 66 Cb 0.00 -0.41 0.07 0.00 -0.01 0.00 0.00 39.48 39.13 3df4 n PHE 66 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3df4 h LYS 67 N 0.00 1.12 -6.48 -1.08 6.56 -1.90 -3.37 116.57 111.42 3df4 h LYS 67 Ca 0.00 -0.14 -0.43 0.00 -1.06 0.00 0.00 60.65 59.01 3df4 h LYS 67 Cb 0.87 -0.21 0.02 0.00 -0.57 0.00 0.00 32.23 32.34 3df4 h LYS 67 CO 0.00 0.84 -0.89 0.54 -2.06 0.00 0.00 179.45 177.88 3df4 n ARG 68 N -4.40 -1.14 0.00 3.15 5.12 -1.26 -4.94 116.66 113.19 3df4 n ARG 68 Ca 0.08 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 3df4 n ARG 68 Cb 0.11 -3.24 0.00 0.00 -1.16 0.00 0.00 32.46 28.17 3df4 n ARG 68 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3df4 n ASN 69 N -2.42 0.00 -3.47 0.55 3.02 -1.26 -4.80 115.26 106.88 3df4 n ASN 69 Ca -0.18 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.22 3df4 n ASN 69 Cb 0.61 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 3df4 n ASN 69 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3df4 n LYS 70 N 0.00 -0.88 -1.41 3.52 4.81 -1.26 -4.82 118.16 118.12 3df4 n LYS 70 Ca 0.00 -0.08 -0.30 0.00 -0.87 0.00 0.00 58.31 57.06 3df4 n LYS 70 Cb 0.00 -1.11 0.11 0.00 0.02 0.00 0.00 35.03 34.05 3df4 n LYS 70 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3df4 s ASP 71 N -3.86 4.12 0.00 3.14 1.11 -1.26 -3.73 116.67 116.18 3df4 s ASP 71 Ca 0.07 1.40 0.00 0.00 0.18 0.00 0.00 52.55 54.20 3df4 s ASP 71 Cb -0.04 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.83 3df4 s ASP 71 CO 0.41 -2.22 0.00 0.61 1.18 0.00 0.00 175.17 175.15 3df4 n GLY 72 N -1.69 0.08 3.03 0.21 0.00 0.17 -4.94 105.19 102.05 3df4 n GLY 72 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3df4 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3df4 s ILE 73 N -1.15 1.74 0.80 -0.61 -1.09 -1.24 -4.99 121.20 114.65 3df4 s ILE 73 Ca 0.00 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 57.36 3df4 s ILE 73 Cb 0.00 -1.72 0.07 0.00 -1.58 0.00 0.00 42.46 39.23 3df4 s ILE 73 CO 0.00 0.30 1.10 -2.16 -1.23 0.00 0.00 174.94 172.94 3df4 s PRO 74 N 1.38 2.04 -0.09 2.79 0.04 -1.26 -4.54 135.00 135.36 3df4 s PRO 74 Ca 0.01 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 3df4 s PRO 74 Cb -0.15 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.56 3df4 s PRO 74 CO -0.09 -1.66 0.73 0.00 0.04 0.00 0.00 177.00 176.01 3df4 s ALA 75 N -3.13 -1.79 -0.27 8.56 0.00 -1.07 -2.01 121.76 122.05 3df4 s ALA 75 Ca 0.61 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.97 3df4 s ALA 75 Cb -0.15 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3df4 s ALA 75 CO 0.54 -0.36 0.01 0.14 0.00 0.00 0.00 175.76 176.10 3df4 s VAL 76 N -0.98 3.42 -0.57 0.00 -7.23 -1.01 -0.86 120.40 113.17 3df4 s VAL 76 Ca -0.08 -0.85 -0.32 0.00 -1.81 0.00 0.00 61.98 58.91 3df4 s VAL 76 Cb -0.01 -2.75 -0.14 0.00 0.56 0.00 0.00 36.38 34.05 3df4 s VAL 76 CO 0.08 0.14 2.38 1.33 -0.31 0.00 0.00 175.10 178.72 3df4 n VAL 77 N 4.77 0.05 -0.22 1.32 0.24 -0.22 -4.38 118.33 119.89 3df4 n VAL 77 Ca -0.15 -0.31 -0.05 0.00 -2.04 0.00 0.00 64.34 61.79 3df4 n VAL 77 Cb 0.47 -1.54 0.12 0.00 -1.47 0.00 0.00 33.84 31.42 3df4 n VAL 77 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3df4 h GLU 78 N 13.87 1.04 -2.66 7.34 5.08 -1.79 -1.27 114.58 136.18 3df4 h GLU 78 Ca -0.19 -0.21 0.11 0.00 -1.00 0.00 0.00 59.36 58.07 3df4 h GLU 78 Cb 1.31 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 3df4 h GLU 78 CO 1.16 0.88 0.43 -0.98 -1.00 0.00 0.00 179.01 179.50 3df4 s ARG 79 N -5.37 1.58 -0.31 2.33 1.70 -1.26 -4.78 118.95 112.85 3df4 s ARG 79 Ca -0.11 -0.96 0.04 0.00 -0.47 0.00 0.00 55.73 54.22 3df4 s ARG 79 Cb 0.15 0.48 0.08 0.00 -0.57 0.00 0.00 34.95 35.10 3df4 s ARG 79 CO 0.83 -0.73 -0.01 -0.51 -1.08 0.00 0.00 175.30 173.79 3df4 s LEU 80 N -3.12 4.22 0.71 -1.89 1.43 -1.26 -2.32 118.68 116.45 3df4 s LEU 80 Ca 0.16 -1.85 -0.01 0.00 -1.03 0.00 0.00 54.13 51.40 3df4 s LEU 80 Cb -0.03 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.72 3df4 s LEU 80 CO 0.06 -0.31 0.98 -1.61 0.23 0.00 0.00 176.35 175.71 3df4 s GLU 81 N 0.99 1.73 -0.00 1.70 2.02 0.12 -1.26 118.70 123.98 3df4 s GLU 81 Ca 0.03 -1.08 0.03 0.00 0.02 0.00 0.00 54.97 53.97 3df4 s GLU 81 Cb -0.19 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 3df4 s GLU 81 CO -0.07 -1.41 -0.06 -0.47 0.02 0.00 0.00 175.26 173.27 3df4 s TYR 82 N -3.13 2.92 -0.14 1.61 6.14 -1.26 -3.04 117.35 120.44 3df4 s TYR 82 Ca 0.66 -0.02 0.00 0.00 0.64 0.00 0.00 57.07 58.35 3df4 s TYR 82 Cb -0.06 -1.63 0.02 0.00 0.42 0.00 0.00 41.96 40.72 3df4 s TYR 82 CO 0.44 0.38 -0.12 0.34 0.64 0.00 0.00 175.55 177.23 3df4 s ASP 83 N -1.38 2.62 0.03 4.32 -1.08 -1.26 -4.74 116.67 115.17 3df4 s ASP 83 Ca 0.17 -0.47 0.26 0.00 -0.52 0.00 0.00 52.55 51.99 3df4 s ASP 83 Cb -0.11 -1.10 1.09 0.00 -1.46 0.00 0.00 42.92 41.35 3df4 s ASP 83 CO 0.07 -0.08 1.84 -2.65 0.52 0.00 0.00 175.17 174.87 3df4 n PRO 84 N 4.81 0.03 0.02 4.34 -0.02 -1.26 -3.29 135.00 139.63 3df4 n PRO 84 Ca -0.16 0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.51 3df4 n PRO 84 Cb 0.50 -1.54 0.08 0.00 -0.02 0.00 0.00 33.50 32.52 3df4 n PRO 84 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3df4 n ASN 85 N -1.59 0.64 -3.91 2.55 4.13 -1.26 -4.98 115.26 110.83 3df4 n ASN 85 Ca 0.06 -0.30 -0.12 0.00 1.68 0.00 0.00 54.58 55.90 3df4 n ASN 85 Cb 0.32 0.60 -0.08 0.00 -1.54 0.00 0.00 39.78 39.09 3df4 n ASN 85 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3df4 s ARG 86 N -3.11 1.47 -0.00 3.52 1.70 -1.21 -5.06 118.95 116.26 3df4 s ARG 86 Ca 0.07 -1.58 -0.07 0.00 -0.47 0.00 0.00 55.73 53.68 3df4 s ARG 86 Cb 0.15 0.36 -0.30 0.00 -0.57 0.00 0.00 34.95 34.60 3df4 s ARG 86 CO 0.77 -0.55 0.85 0.66 -1.08 0.00 0.00 175.30 175.94 3df4 h SER 87 N 2.38 0.52 -3.18 -2.89 4.64 -1.93 -3.44 113.55 109.66 3df4 h SER 87 Ca -0.31 -0.69 -0.40 0.00 -0.47 0.00 0.00 61.79 59.92 3df4 h SER 87 Cb 1.25 -0.17 0.21 0.00 -0.31 0.00 0.00 62.40 63.38 3df4 h SER 87 CO 0.44 1.57 -0.04 0.00 -0.87 0.00 0.00 176.83 177.93 3df4 s ALA 88 N -2.61 -0.47 -0.38 5.18 0.00 -1.26 -4.68 121.76 117.55 3df4 s ALA 88 Ca -0.11 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3df4 s ALA 88 Cb 0.06 -3.01 0.09 0.00 0.00 0.00 0.00 23.12 20.26 3df4 s ALA 88 CO 0.87 -4.25 0.14 -0.80 0.00 0.00 0.00 175.76 171.72 3df4 s ASN 89 N -3.12 5.16 0.40 0.00 0.02 -1.21 -4.37 114.94 111.83 3df4 s ASN 89 Ca 0.69 -1.79 -0.24 0.00 -1.02 0.00 0.00 52.86 50.50 3df4 s ASN 89 Cb -0.16 -1.80 -0.12 0.00 0.02 0.00 0.00 41.25 39.19 3df4 s ASN 89 CO 0.59 -0.46 0.74 -0.38 0.02 0.00 0.00 177.10 177.62 3df4 n ILE 90 N 4.61 2.04 -3.98 0.60 2.08 -1.17 -3.96 119.36 119.58 3df4 n ILE 90 Ca -0.05 -0.50 -0.17 0.00 0.56 0.00 0.00 62.75 62.59 3df4 n ILE 90 Cb 0.42 -0.75 -0.16 0.00 -0.75 0.00 0.00 39.64 38.40 3df4 n ILE 90 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3df4 s ALA 91 N -1.34 0.36 1.00 -1.39 0.00 0.45 0.11 121.76 120.94 3df4 s ALA 91 Ca 0.63 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3df4 s ALA 91 Cb -0.61 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.20 3df4 s ALA 91 CO 0.58 -0.04 0.00 -0.11 0.00 0.00 0.00 175.76 176.18 3df4 n LEU 92 N 3.99 0.00 0.15 0.00 7.94 -0.98 0.35 117.00 128.45 3df4 n LEU 92 Ca -0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 3df4 n LEU 92 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 3df4 n LEU 92 CO 0.23 -0.99 0.00 0.55 -1.11 0.00 0.00 177.39 176.07 3df4 n VAL 93 N -2.15 0.00 -2.80 1.96 3.14 -1.17 -4.51 118.33 112.80 3df4 n VAL 93 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 3df4 n VAL 93 Cb 0.00 -0.01 -0.02 0.00 -1.06 0.00 0.00 33.84 32.75 3df4 n VAL 93 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3df4 n LEU 94 N -3.11 -6.08 0.00 6.55 7.94 -1.26 -2.55 117.00 118.49 3df4 n LEU 94 Ca 0.00 1.58 -0.01 0.00 -1.11 0.00 0.00 56.01 56.46 3df4 n LEU 94 Cb 0.00 -2.77 0.01 0.00 0.53 0.00 0.00 43.42 41.19 3df4 n LEU 94 CO 0.00 -3.27 0.04 -1.22 -1.11 0.00 0.00 177.39 171.83 3df4 n TYR 95 N 1.53 -3.78 0.21 1.96 4.02 0.16 -2.41 117.16 118.85 3df4 n TYR 95 Ca -0.17 -0.05 0.12 0.00 -0.01 0.00 0.00 57.90 57.78 3df4 n TYR 95 Cb 0.34 -0.05 0.03 0.00 -0.02 0.00 0.00 39.34 39.64 3df4 n TYR 95 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3df4 h LYS 96 N 0.00 0.00 0.00 -0.72 1.79 -1.68 -3.29 116.57 112.67 3df4 h LYS 96 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3df4 h LYS 96 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3df4 h LYS 96 CO 0.01 0.00 0.00 -3.47 -1.08 0.00 0.00 179.45 174.91 3df4 n ASP 97 N -2.54 0.00 0.00 0.86 4.64 -1.26 -4.83 116.55 113.42 3df4 n ASP 97 Ca 0.01 -1.63 0.00 0.00 -1.38 0.00 0.00 54.79 51.79 3df4 n ASP 97 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 3df4 n ASP 97 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3df4 n GLY 98 N 0.33 2.86 3.75 0.27 0.00 -1.24 -5.01 105.19 106.15 3df4 n GLY 98 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3df4 n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3df4 s GLU 99 N -0.13 1.71 -0.29 1.61 2.12 -1.26 -4.77 118.70 117.70 3df4 s GLU 99 Ca 0.00 0.83 0.01 0.00 0.36 0.00 0.00 54.97 56.17 3df4 s GLU 99 Cb 0.00 -1.86 0.18 0.00 0.26 0.00 0.00 34.13 32.71 3df4 s GLU 99 CO 0.00 -1.93 0.53 -0.98 -0.54 0.00 0.00 175.26 172.34 3df4 s ARG 100 N -4.99 0.51 0.00 4.30 1.70 -1.26 0.36 118.95 119.56 3df4 s ARG 100 Ca 0.62 0.71 0.00 0.00 -0.47 0.00 0.00 55.73 56.59 3df4 s ARG 100 Cb -0.17 0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 3df4 s ARG 100 CO 0.56 -0.77 0.00 0.54 -1.08 0.00 0.00 175.30 174.55 3df4 n ARG 101 N 5.41 3.23 -4.59 3.89 1.74 -1.26 -4.75 116.66 120.32 3df4 n ARG 101 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 3df4 n ARG 101 Cb 0.51 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.85 3df4 n ARG 101 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3df4 s TYR 102 N 1.94 2.45 -0.06 -1.55 2.02 -1.19 -3.04 117.35 117.93 3df4 s TYR 102 Ca 0.00 -0.69 -0.27 0.00 -0.37 0.00 0.00 57.07 55.74 3df4 s TYR 102 Cb 0.00 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.84 3df4 s TYR 102 CO 0.00 0.40 0.60 0.42 -1.57 0.00 0.00 175.55 175.40 3df4 s ILE 103 N -2.72 0.01 0.31 2.71 1.01 0.16 -4.48 121.20 118.20 3df4 s ILE 103 Ca 0.32 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.92 3df4 s ILE 103 Cb 0.09 -0.92 0.29 0.00 0.01 0.00 0.00 42.46 41.93 3df4 s ILE 103 CO 0.17 -0.05 1.87 -0.07 0.00 0.00 0.00 174.94 176.86 3df4 h LEU 104 N 3.36 0.84 -2.82 2.97 4.07 -1.84 1.30 115.31 123.20 3df4 h LEU 104 Ca -0.28 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.72 3df4 h LEU 104 Cb 1.15 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.75 3df4 h LEU 104 CO 0.37 0.48 0.00 0.00 -1.08 0.00 0.00 178.44 178.20 3df4 n ALA 105 N -2.39 -2.82 -1.00 1.53 0.00 -1.25 -3.29 120.51 111.29 3df4 n ALA 105 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3df4 n ALA 105 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3df4 n ALA 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3df4 n PRO 106 N 0.03 -0.11 0.00 0.00 -0.04 -1.26 -0.54 135.00 133.08 3df4 n PRO 106 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3df4 n PRO 106 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3df4 n PRO 106 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3df4 n LYS 107 N -1.00 0.00 -2.51 0.54 3.00 0.50 -3.77 118.16 114.92 3df4 n LYS 107 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 3df4 n LYS 107 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 35.03 34.81 3df4 n LYS 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3df4 s GLY 108 N 0.00 2.88 0.00 3.14 0.00 -1.26 -4.81 107.32 107.27 3df4 s GLY 108 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3df4 s GLY 108 CO 0.00 1.62 0.15 1.47 0.00 0.00 0.00 173.10 176.34 3df4 n LEU 109 N 2.15 -0.14 -3.62 0.66 -0.00 -1.26 -4.84 117.00 109.94 3df4 n LEU 109 Ca 0.02 -0.29 -0.51 0.00 -0.00 0.00 0.00 56.01 55.23 3df4 n LEU 109 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.78 3df4 n LEU 109 CO 0.54 0.65 1.37 1.17 -0.00 0.00 0.00 177.39 181.12 3df4 n LYS 110 N 0.00 0.00 -0.96 1.47 4.81 -1.26 -4.55 118.16 117.67 3df4 n LYS 110 Ca -0.04 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.99 3df4 n LYS 110 Cb 0.30 -1.26 -0.07 0.00 0.02 0.00 0.00 35.03 34.02 3df4 n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3df4 n ALA 111 N 5.82 -0.39 0.00 3.14 0.00 -1.26 -3.35 120.51 124.48 3df4 n ALA 111 Ca 0.43 0.22 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3df4 n ALA 111 Cb -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3df4 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 112 N 3.58 1.91 3.80 0.00 0.00 -0.48 -5.01 105.19 108.98 3df4 n GLY 112 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 3df4 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3df4 s ASP 113 N -1.91 5.02 -0.02 1.61 -0.00 -1.21 -4.85 116.67 115.31 3df4 s ASP 113 Ca 0.00 -0.61 0.01 0.00 -0.00 0.00 0.00 52.55 51.95 3df4 s ASP 113 Cb 0.00 -0.87 -0.03 0.00 -0.00 0.00 0.00 42.92 42.01 3df4 s ASP 113 CO 0.00 -0.32 -0.01 -1.10 -0.00 0.00 0.00 175.17 173.75 3df4 s GLN 114 N -3.92 2.81 -0.09 8.23 -0.21 -1.25 -1.06 119.66 124.17 3df4 s GLN 114 Ca 0.39 -0.57 -0.04 0.00 0.02 0.00 0.00 55.36 55.16 3df4 s GLN 114 Cb -0.04 -2.68 0.05 0.00 1.00 0.00 0.00 33.01 31.34 3df4 s GLN 114 CO 0.25 0.64 0.20 0.96 -2.12 0.00 0.00 175.29 175.22 3df4 s ILE 115 N -1.02 -0.10 0.00 1.08 -4.36 -0.03 -4.92 121.20 111.85 3df4 s ILE 115 Ca 0.18 0.20 0.00 0.00 -0.26 0.00 0.00 60.65 60.76 3df4 s ILE 115 Cb -0.11 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.27 3df4 s ILE 115 CO 0.08 0.08 0.00 1.67 0.24 0.00 0.00 174.94 177.01 3df4 n GLN 116 N 4.44 2.82 -3.64 0.37 7.27 -1.26 -2.61 117.38 124.76 3df4 n GLN 116 Ca -0.22 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.81 3df4 n GLN 116 Cb 0.52 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.10 3df4 n GLN 116 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3df4 s SER 117 N -0.31 -0.24 0.00 1.69 1.04 -1.26 -3.61 113.70 111.00 3df4 s SER 117 Ca 0.00 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3df4 s SER 117 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3df4 s SER 117 CO 0.00 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.76 3df4 n GLY 118 N 2.26 -1.04 0.19 7.32 0.00 -1.06 0.43 105.19 113.28 3df4 n GLY 118 Ca -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 3df4 n GLY 118 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3df4 h VAL 119 N 0.00 0.64 0.05 1.61 2.07 -1.96 -2.98 116.25 115.68 3df4 h VAL 119 Ca 0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3df4 h VAL 119 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3df4 h VAL 119 CO 0.00 0.02 -0.02 -2.24 0.02 0.00 0.00 177.57 175.34 3df4 h ASP 120 N 0.10 -0.06 0.00 0.57 -0.00 -1.98 -3.46 116.42 111.59 3df4 h ASP 120 Ca 0.23 -0.55 0.00 0.00 -0.00 0.00 0.00 57.03 56.71 3df4 h ASP 120 Cb 0.34 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.68 3df4 h ASP 120 CO -0.39 0.67 0.00 0.00 -0.00 0.00 0.00 179.24 179.52 3df4 n ALA 121 N -2.62 0.00 -2.68 4.15 0.00 -1.13 -4.59 120.51 113.64 3df4 n ALA 121 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 3df4 n ALA 121 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.78 3df4 n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 n ALA 122 N 6.04 -3.56 -0.01 0.00 0.00 -1.26 -4.96 120.51 116.76 3df4 n ALA 122 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 3df4 n ALA 122 Cb 0.00 -3.10 -0.00 0.00 0.00 0.00 0.00 19.45 16.35 3df4 n ALA 122 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3df4 n ILE 123 N 2.47 0.00 -3.58 0.00 0.13 -1.26 -4.83 119.36 112.29 3df4 n ILE 123 Ca 0.11 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.67 3df4 n ILE 123 Cb 0.65 -0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.40 3df4 n ILE 123 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 3df4 s LYS 124 N 0.08 0.49 0.14 9.51 2.20 -1.26 -5.13 119.74 125.77 3df4 s LYS 124 Ca 0.01 0.07 -0.31 0.00 -0.36 0.00 0.00 55.97 55.37 3df4 s LYS 124 Cb -0.01 0.23 -0.11 0.00 -1.51 0.00 0.00 37.83 36.43 3df4 s LYS 124 CO 0.01 -0.17 1.81 -0.35 -0.36 0.00 0.00 175.35 176.29 3df4 n PRO 125 N 0.55 2.78 -1.15 4.03 -0.04 -1.26 -3.48 135.00 136.42 3df4 n PRO 125 Ca -0.07 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 3df4 n PRO 125 Cb 0.58 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 3df4 n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3df4 n GLY 126 N 4.17 0.49 3.15 0.55 0.00 0.11 -4.89 105.19 108.77 3df4 n GLY 126 Ca 0.18 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.87 3df4 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3df4 s ASN 127 N -2.43 -1.25 0.25 1.61 -0.87 -1.23 -4.54 114.94 106.49 3df4 s ASN 127 Ca 0.00 0.58 -0.31 0.00 -1.57 0.00 0.00 52.86 51.56 3df4 s ASN 127 Cb 0.00 1.97 -0.12 0.00 -0.02 0.00 0.00 41.25 43.07 3df4 s ASN 127 CO 0.00 -0.23 1.57 0.41 -2.57 0.00 0.00 177.10 176.27 3df4 n THR 128 N 5.42 0.74 -3.62 1.60 -1.04 -1.24 -3.27 114.28 112.87 3df4 n THR 128 Ca 0.00 -0.18 -0.04 0.00 -2.04 0.00 0.00 64.05 61.79 3df4 n THR 128 Cb 0.53 -1.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.18 3df4 n THR 128 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3df4 s LEU 129 N 0.08 -0.73 -0.08 -4.42 0.20 -1.26 -2.58 118.68 109.89 3df4 s LEU 129 Ca 0.68 1.13 -0.30 0.00 0.69 0.00 0.00 54.13 56.34 3df4 s LEU 129 Cb -0.56 2.02 -0.05 0.00 -0.43 0.00 0.00 46.19 47.17 3df4 s LEU 129 CO 0.45 -0.18 1.66 -2.16 -0.29 0.00 0.00 176.35 175.83 3df4 s PRO 130 N 1.66 4.11 0.61 0.98 0.04 -1.26 -2.77 135.00 138.38 3df4 s PRO 130 Ca -0.09 2.12 0.24 0.00 0.04 0.00 0.00 61.00 63.31 3df4 s PRO 130 Cb -0.05 -4.00 0.86 0.00 0.04 0.00 0.00 34.50 31.35 3df4 s PRO 130 CO -0.17 -0.93 1.32 0.52 0.04 0.00 0.00 177.00 177.78 3df4 h MET 131 N 9.80 0.00 0.00 4.56 2.86 -1.30 0.81 114.93 131.67 3df4 h MET 131 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3df4 h MET 131 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3df4 h MET 131 CO 0.96 0.00 0.12 -0.09 1.06 0.00 0.00 176.91 178.96 3df4 h ARG 132 N 0.00 0.00 0.00 1.72 9.65 -1.72 -3.00 114.38 121.03 3df4 h ARG 132 Ca 0.40 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.23 3df4 h ARG 132 Cb 2.65 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 31.22 3df4 h ARG 132 CO -0.00 0.00 -1.18 0.09 2.80 0.00 0.00 179.97 181.67 3df4 n ASN 133 N -2.50 3.10 -4.73 -3.80 3.02 0.28 -5.05 115.26 105.59 3df4 n ASN 133 Ca -0.02 -0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 54.14 3df4 n ASN 133 Cb 0.17 -0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.32 3df4 n ASN 133 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3df4 n ILE 134 N -2.70 3.98 0.00 2.41 -6.64 -1.14 -4.99 119.36 110.28 3df4 n ILE 134 Ca -0.06 -0.50 0.00 0.00 -1.77 0.00 0.00 62.75 60.42 3df4 n ILE 134 Cb 0.56 -1.58 0.00 0.00 -1.44 0.00 0.00 39.64 37.18 3df4 n ILE 134 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 3df4 n PRO 135 N -1.13 0.15 -4.37 6.28 -0.02 -1.26 -4.85 135.00 129.79 3df4 n PRO 135 Ca 0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.31 3df4 n PRO 135 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.87 3df4 n PRO 135 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3df4 s VAL 136 N -0.42 1.68 -0.60 -1.45 1.01 -1.26 -4.64 120.40 114.72 3df4 s VAL 136 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.18 3df4 s VAL 136 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3df4 s VAL 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3df4 n GLY 137 N -1.34 0.53 3.85 4.51 0.00 0.29 -4.89 105.19 108.15 3df4 n GLY 137 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3df4 n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3df4 s SER 138 N -1.40 6.51 0.37 1.61 0.01 -1.26 -4.79 113.70 114.75 3df4 s SER 138 Ca 0.00 1.48 0.10 0.00 1.31 0.00 0.00 55.95 58.84 3df4 s SER 138 Cb 0.00 -2.48 0.72 0.00 0.21 0.00 0.00 66.02 64.48 3df4 s SER 138 CO 0.00 -0.65 1.86 0.71 0.41 0.00 0.00 173.24 175.58 3df4 h THR 139 N 0.60 1.22 -0.39 1.44 1.35 -1.90 -2.87 112.91 112.35 3df4 h THR 139 Ca -0.46 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3df4 h THR 139 Cb 1.19 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3df4 h THR 139 CO 0.62 0.30 0.00 0.52 -0.25 0.00 0.00 175.52 176.71 3df4 n VAL 140 N -4.19 0.00 -1.14 6.82 0.31 -1.26 -2.84 118.33 116.02 3df4 n VAL 140 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3df4 n VAL 140 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 3df4 n VAL 140 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 3df4 n HIS 141 N 0.00 0.00 -1.52 3.52 -0.00 -0.53 -1.74 115.22 114.94 3df4 n HIS 141 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 3df4 n HIS 141 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.85 3df4 n HIS 141 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3df4 n ASN 142 N 0.00 0.39 -4.84 0.26 5.15 -1.13 -4.53 115.26 110.56 3df4 n ASN 142 Ca 0.00 -0.68 -0.32 0.00 -0.60 0.00 0.00 54.58 52.98 3df4 n ASN 142 Cb 0.00 -1.09 -0.04 0.00 -0.53 0.00 0.00 39.78 38.11 3df4 n ASN 142 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3df4 s VAL 143 N 7.91 4.56 -0.28 3.44 1.01 -0.41 -4.11 120.40 132.52 3df4 s VAL 143 Ca 1.16 1.16 -0.09 0.00 0.00 0.00 0.00 61.98 64.21 3df4 s VAL 143 Cb -0.62 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3df4 s VAL 143 CO 0.37 -0.56 0.11 -0.70 0.00 0.00 0.00 175.10 174.32 3df4 s GLU 144 N -3.80 3.52 0.00 2.72 2.12 -0.96 -0.76 118.70 121.55 3df4 s GLU 144 Ca 0.58 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.33 3df4 s GLU 144 Cb -0.10 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.84 3df4 s GLU 144 CO 0.27 -0.29 0.56 -1.33 -0.54 0.00 0.00 175.26 173.93 3df4 n MET 145 N 4.96 0.00 -2.00 4.30 2.81 -1.26 -4.68 117.12 121.25 3df4 n MET 145 Ca -0.15 0.48 -0.29 0.00 -1.81 0.00 0.00 57.70 55.93 3df4 n MET 145 Cb 0.50 -1.06 0.19 0.00 -0.71 0.00 0.00 33.22 32.14 3df4 n MET 145 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3df4 s LYS 146 N -1.25 0.62 0.16 0.03 1.02 -1.26 -4.47 119.74 114.60 3df4 s LYS 146 Ca 0.00 -0.52 -0.16 0.00 0.02 0.00 0.00 55.97 55.31 3df4 s LYS 146 Cb 0.00 -1.88 0.10 0.00 -0.52 0.00 0.00 37.83 35.53 3df4 s LYS 146 CO 0.00 -2.40 1.71 -1.00 -0.92 0.00 0.00 175.35 172.75 3df4 h PRO 147 N -1.59 0.15 -0.44 -1.68 0.13 -1.83 -3.34 132.00 123.40 3df4 h PRO 147 Ca -0.43 -0.01 -0.27 0.00 -0.87 0.00 0.00 66.00 64.42 3df4 h PRO 147 Cb 1.23 -0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 3df4 h PRO 147 CO 0.36 0.10 -1.08 0.41 -0.23 0.00 0.00 178.00 177.56 3df4 n GLY 148 N -1.25 2.22 0.00 1.56 0.00 -1.26 -4.14 105.19 102.32 3df4 n GLY 148 Ca 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3df4 n GLY 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df4 n LYS 149 N -0.57 0.00 0.00 1.61 4.81 -1.25 -4.98 118.16 117.78 3df4 n LYS 149 Ca 0.11 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3df4 n LYS 149 Cb 0.83 -0.91 0.00 0.00 0.02 0.00 0.00 35.03 34.97 3df4 n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3df4 n GLY 150 N 0.85 0.00 2.98 3.14 0.00 -1.26 -4.87 105.19 106.03 3df4 n GLY 150 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3df4 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 151 N 0.00 -1.44 0.09 -0.02 0.00 -1.26 -4.25 105.19 98.31 3df4 n GLY 151 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 46.02 46.46 3df4 n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df4 n GLN 152 N 1.89 2.44 -4.66 1.61 6.02 -0.12 -4.85 117.38 119.71 3df4 n GLN 152 Ca -0.08 -1.93 -0.34 0.00 -0.01 0.00 0.00 57.00 54.65 3df4 n GLN 152 Cb 0.25 -1.21 -0.12 0.00 1.02 0.00 0.00 30.24 30.19 3df4 n GLN 152 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3df4 s LEU 153 N -1.67 3.10 -0.99 1.08 1.43 0.06 -4.73 118.68 116.97 3df4 s LEU 153 Ca 0.13 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 3df4 s LEU 153 Cb 0.11 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 3df4 s LEU 153 CO 0.02 0.35 0.74 0.00 0.23 0.00 0.00 176.35 177.70 3df4 n ALA 154 N 2.28 -2.59 -0.13 4.21 0.00 -1.26 -1.29 120.51 121.73 3df4 n ALA 154 Ca -0.18 -0.18 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 3df4 n ALA 154 Cb 0.53 -2.99 -0.11 0.00 0.00 0.00 0.00 19.45 16.88 3df4 n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df4 n ARG 155 N -3.31 0.61 -0.73 0.00 1.74 -1.26 -3.50 116.66 110.21 3df4 n ARG 155 Ca -0.12 0.25 -0.33 0.00 -0.77 0.00 0.00 57.85 56.89 3df4 n ARG 155 Cb 0.59 -1.52 0.15 0.00 -1.02 0.00 0.00 32.46 30.66 3df4 n ARG 155 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3df4 n SER 156 N -3.96 -2.49 -4.72 0.55 2.88 -1.26 -4.68 113.62 99.94 3df4 n SER 156 Ca -0.50 -0.03 -0.33 0.00 -1.33 0.00 0.00 58.87 56.68 3df4 n SER 156 Cb 0.91 -0.95 0.10 0.00 -0.75 0.00 0.00 64.21 63.53 3df4 n SER 156 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df4 s ALA 157 N -2.23 2.03 0.00 -1.46 0.00 -1.26 -2.89 121.76 115.95 3df4 s ALA 157 Ca 0.54 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3df4 s ALA 157 Cb -0.11 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3df4 s ALA 157 CO 0.67 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.84 3df4 n GLY 158 N -0.01 0.20 3.74 0.00 0.00 -1.00 -4.74 105.19 103.38 3df4 n GLY 158 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3df4 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3df4 s THR 159 N -0.93 2.95 0.00 2.61 -4.23 -1.14 -4.75 115.64 110.15 3df4 s THR 159 Ca 0.00 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 3df4 s THR 159 Cb 0.00 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3df4 s THR 159 CO 0.00 -0.39 0.00 0.00 -0.54 0.00 0.00 174.62 173.69 3df4 n TYR 160 N -3.64 0.00 -0.12 3.99 0.18 -1.26 -2.53 117.16 113.77 3df4 n TYR 160 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 3df4 n TYR 160 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 3df4 n TYR 160 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3df4 n VAL 161 N -0.25 0.00 0.00 -3.48 0.31 -1.13 -4.09 118.33 109.69 3df4 n VAL 161 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3df4 n VAL 161 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3df4 n VAL 161 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3df4 n GLN 162 N 0.00 0.00 -1.47 5.55 7.27 -1.22 -4.67 117.38 122.84 3df4 n GLN 162 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 57.00 56.58 3df4 n GLN 162 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 3df4 n GLN 162 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3df4 n ILE 163 N 0.00 0.22 0.05 1.69 2.08 -1.08 -2.65 119.36 119.66 3df4 n ILE 163 Ca 0.00 -0.29 0.05 0.00 0.56 0.00 0.00 62.75 63.07 3df4 n ILE 163 Cb 0.00 -1.81 -0.07 0.00 -0.75 0.00 0.00 39.64 37.02 3df4 n ILE 163 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3df4 n VAL 164 N 7.26 0.84 0.00 1.39 0.31 -0.99 0.10 118.33 127.24 3df4 n VAL 164 Ca 0.39 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3df4 n VAL 164 Cb 0.27 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 3df4 n VAL 164 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df4 n ALA 165 N -2.32 0.00 -3.64 3.52 0.00 -0.79 -4.80 120.51 112.48 3df4 n ALA 165 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 3df4 n ALA 165 Cb 0.72 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.01 3df4 n ALA 165 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3df4 s ARG 166 N -2.00 0.05 -0.54 0.00 1.70 -1.26 0.55 118.95 117.45 3df4 s ARG 166 Ca 0.00 0.48 -0.02 0.00 -0.47 0.00 0.00 55.73 55.72 3df4 s ARG 166 Cb 0.00 -0.48 0.14 0.00 -0.57 0.00 0.00 34.95 34.04 3df4 s ARG 166 CO 0.00 -0.37 0.34 -0.51 -1.08 0.00 0.00 175.30 173.68 3df4 s ASP 167 N 2.29 5.20 0.75 -2.89 1.11 -0.12 -4.98 116.67 118.03 3df4 s ASP 167 Ca 0.04 -2.54 0.00 0.00 0.18 0.00 0.00 52.55 50.22 3df4 s ASP 167 Cb -0.13 -1.83 0.00 0.00 1.07 0.00 0.00 42.92 42.03 3df4 s ASP 167 CO -0.07 -0.43 0.00 0.61 1.18 0.00 0.00 175.17 176.46 3df4 n GLY 168 N 3.90 1.50 0.61 0.21 0.00 -1.26 -3.40 105.19 106.75 3df4 n GLY 168 Ca 0.04 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.71 3df4 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 n ALA 169 N 5.79 2.72 -2.52 4.61 0.00 -1.26 -4.97 120.51 124.87 3df4 n ALA 169 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.54 3df4 n ALA 169 Cb 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 3df4 n ALA 169 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3df4 s TYR 170 N -1.66 2.58 -0.14 0.00 1.51 -1.22 -3.55 117.35 114.88 3df4 s TYR 170 Ca 0.19 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 3df4 s TYR 170 Cb 0.15 -1.34 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 3df4 s TYR 170 CO 0.29 0.42 -0.21 0.08 -1.11 0.00 0.00 175.55 175.02 3df4 s VAL 171 N -1.27 2.00 -0.61 0.71 1.01 -0.46 -0.95 120.40 120.83 3df4 s VAL 171 Ca 0.20 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 3df4 s VAL 171 Cb -0.10 -1.77 0.13 0.00 0.00 0.00 0.00 36.38 34.64 3df4 s VAL 171 CO 0.12 0.54 0.62 0.28 0.00 0.00 0.00 175.10 176.65 3df4 s THR 172 N 0.82 5.13 0.42 3.92 -1.32 0.19 0.35 115.64 125.15 3df4 s THR 172 Ca -0.07 -1.48 0.08 0.00 -1.21 0.00 0.00 61.69 59.00 3df4 s THR 172 Cb -0.15 -4.42 -0.01 0.00 -1.51 0.00 0.00 72.50 66.41 3df4 s THR 172 CO -0.02 -0.99 0.42 -1.48 -2.21 0.00 0.00 174.62 170.35 3df4 s LEU 173 N 1.77 3.46 -0.30 9.08 -0.00 -0.21 -1.89 118.68 130.58 3df4 s LEU 173 Ca 0.08 -0.66 -0.01 0.00 -0.00 0.00 0.00 54.13 53.54 3df4 s LEU 173 Cb -0.25 -2.21 0.06 0.00 -0.00 0.00 0.00 46.19 43.79 3df4 s LEU 173 CO 0.02 -0.68 -0.00 -0.60 -0.00 0.00 0.00 176.35 175.09 3df4 s ARG 174 N -4.18 2.36 0.77 1.48 3.52 -1.08 -0.99 118.95 120.83 3df4 s ARG 174 Ca 0.50 -1.32 -0.13 0.00 -0.13 0.00 0.00 55.73 54.65 3df4 s ARG 174 Cb -0.05 -3.17 0.20 0.00 -1.56 0.00 0.00 34.95 30.37 3df4 s ARG 174 CO 0.29 -0.65 0.49 1.28 -0.81 0.00 0.00 175.30 175.90 3df4 n LEU 175 N 4.59 0.00 0.08 -0.88 4.77 -0.35 -3.45 117.00 121.76 3df4 n LEU 175 Ca -0.12 -0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 55.31 3df4 n LEU 175 Cb 0.43 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3df4 n LEU 175 CO 0.26 -2.13 0.25 -0.09 -1.33 0.00 0.00 177.39 174.35 3df4 h ARG 176 N 0.00 0.00 -0.91 3.23 1.12 -1.87 -3.18 114.38 112.77 3df4 h ARG 176 Ca -0.21 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 3df4 h ARG 176 Cb 0.71 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.67 3df4 h ARG 176 CO 0.13 0.88 0.00 -1.13 -3.11 0.00 0.00 179.97 176.74 3df4 n SER 177 N -3.48 1.22 0.00 -3.80 3.41 -1.26 -4.75 113.62 104.96 3df4 n SER 177 Ca -0.00 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 3df4 n SER 177 Cb 0.84 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3df4 n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df4 n GLY 178 N 0.21 0.05 3.83 5.00 0.00 -1.20 -3.84 105.19 109.24 3df4 n GLY 178 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3df4 n GLY 178 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3df4 s GLU 179 N -1.79 4.19 -0.48 1.61 2.12 -1.26 -4.20 118.70 118.88 3df4 s GLU 179 Ca 0.00 0.87 -0.15 0.00 0.36 0.00 0.00 54.97 56.05 3df4 s GLU 179 Cb 0.00 -2.60 0.08 0.00 0.26 0.00 0.00 34.13 31.87 3df4 s GLU 179 CO 0.00 0.23 0.40 1.41 -0.54 0.00 0.00 175.26 176.76 3df4 s MET 180 N -2.54 2.96 0.33 4.30 1.75 0.23 -1.22 119.30 125.12 3df4 s MET 180 Ca 0.51 -1.39 0.07 0.00 -1.25 0.00 0.00 55.69 53.63 3df4 s MET 180 Cb -0.13 -4.13 -0.02 0.00 2.84 0.00 0.00 34.83 33.38 3df4 s MET 180 CO 0.19 -1.05 0.32 1.03 -0.65 0.00 0.00 175.02 174.85 3df4 s ARG 181 N 1.63 2.81 -0.05 4.11 1.81 -0.16 -0.25 118.95 128.85 3df4 s ARG 181 Ca 0.04 -1.23 0.02 0.00 -1.72 0.00 0.00 55.73 52.85 3df4 s ARG 181 Cb -0.25 -2.54 0.01 0.00 -0.45 0.00 0.00 34.95 31.72 3df4 s ARG 181 CO 0.06 0.11 -0.11 0.15 -0.68 0.00 0.00 175.30 174.83 3df4 s LYS 182 N -4.02 1.37 0.48 3.54 1.02 -0.30 -1.05 119.74 120.80 3df4 s LYS 182 Ca 0.41 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 56.07 3df4 s LYS 182 Cb -0.07 -1.20 -0.02 0.00 -0.52 0.00 0.00 37.83 36.03 3df4 s LYS 182 CO 0.27 0.07 0.12 0.54 -0.92 0.00 0.00 175.35 175.43 3df4 s VAL 183 N 0.46 1.62 -2.02 3.17 0.11 0.15 -4.88 120.40 119.01 3df4 s VAL 183 Ca -0.09 -1.84 0.12 0.00 -2.93 0.00 0.00 61.98 57.24 3df4 s VAL 183 Cb -0.13 -2.46 0.35 0.00 -1.53 0.00 0.00 36.38 32.61 3df4 s VAL 183 CO 0.02 0.00 1.46 -0.62 -3.33 0.00 0.00 175.10 172.63 3df4 n GLU 184 N -1.31 1.08 0.00 1.54 1.02 -1.26 -1.35 120.64 120.36 3df4 n GLU 184 Ca -0.10 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3df4 n GLU 184 Cb 0.66 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 3df4 n GLU 184 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3df4 n ALA 185 N -0.57 0.00 -0.29 0.62 0.00 -1.23 -4.50 120.51 114.54 3df4 n ALA 185 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3df4 n ALA 185 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3df4 n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df4 n ASP 186 N 1.49 3.14 -4.31 0.00 8.00 -1.26 -2.18 116.55 121.43 3df4 n ASP 186 Ca 0.00 -1.83 -0.32 0.00 0.71 0.00 0.00 54.79 53.35 3df4 n ASP 186 Cb 0.00 -0.66 -0.16 0.00 -0.02 0.00 0.00 41.12 40.28 3df4 n ASP 186 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3df4 s ARG 188 N -0.10 0.36 0.00 0.00 0.52 -1.26 -1.98 118.95 116.49 3df4 s ARG 188 Ca -0.04 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.25 3df4 s ARG 188 Cb -0.14 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 33.64 3df4 s ARG 188 CO 0.04 -2.93 0.00 0.00 0.02 0.00 0.00 175.30 172.43 3df4 n ALA 189 N -4.39 0.00 -1.47 2.13 0.00 -1.11 -2.26 120.51 113.39 3df4 n ALA 189 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3df4 n ALA 189 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3df4 n ALA 189 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3df4 n THR 190 N -0.46 -2.81 -3.30 0.00 -2.24 -1.24 -2.82 114.28 101.41 3df4 n THR 190 Ca 0.00 1.40 -0.19 0.00 -2.27 0.00 0.00 64.05 62.99 3df4 n THR 190 Cb 0.00 -2.31 -0.01 0.00 -2.10 0.00 0.00 70.33 65.92 3df4 n THR 190 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3df4 s LEU 191 N -5.18 3.63 0.00 3.22 1.43 -1.20 -1.46 118.68 119.12 3df4 s LEU 191 Ca 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3df4 s LEU 191 Cb 0.00 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3df4 s LEU 191 CO 0.00 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.54 3df4 n GLY 192 N -1.69 -1.21 3.77 -3.19 0.00 -0.71 0.04 105.19 102.20 3df4 n GLY 192 Ca 0.05 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 3df4 n GLY 192 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3df4 s GLU 193 N -3.73 4.29 0.59 1.61 -1.05 -1.24 -4.41 118.70 114.75 3df4 s GLU 193 Ca 0.00 2.28 -0.18 0.00 -0.15 0.00 0.00 54.97 56.92 3df4 s GLU 193 Cb 0.00 -3.03 -0.08 0.00 -0.44 0.00 0.00 34.13 30.58 3df4 s GLU 193 CO 0.00 -0.27 0.57 1.55 0.95 0.00 0.00 175.26 178.06 3df4 n VAL 194 N 0.69 2.37 -0.27 1.83 3.14 -1.05 0.19 118.33 125.23 3df4 n VAL 194 Ca 0.00 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 3df4 n VAL 194 Cb 0.41 -0.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 3df4 n VAL 194 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3df4 n GLY 195 N 1.73 -2.49 5.38 7.55 0.00 0.30 -3.55 105.19 114.11 3df4 n GLY 195 Ca 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3df4 n GLY 195 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3df4 n ASN 196 N -1.89 0.00 0.00 1.61 5.15 -1.26 -2.38 115.26 116.50 3df4 n ASN 196 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3df4 n ASN 196 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3df4 n ASN 196 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3df4 n ALA 197 N 3.67 0.00 0.14 5.20 0.00 -1.26 -4.25 120.51 124.00 3df4 n ALA 197 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3df4 n ALA 197 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 3df4 n ALA 197 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3df4 n GLU 198 N 0.00 0.04 -0.25 0.00 0.28 -1.26 -2.61 120.64 116.83 3df4 n GLU 198 Ca 0.00 0.28 0.21 0.00 -0.16 0.00 0.00 57.16 57.49 3df4 n GLU 198 Cb 0.00 -1.50 0.54 0.00 1.43 0.00 0.00 31.44 31.91 3df4 n GLU 198 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3df4 h HIS 199 N 0.00 0.48 0.00 -1.84 2.76 -1.94 -2.20 115.15 112.41 3df4 h HIS 199 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3df4 h HIS 199 Cb 0.03 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.85 3df4 h HIS 199 CO 0.00 0.11 0.00 0.00 -1.30 0.00 0.00 177.93 176.74 3df4 n MET 200 N -4.49 0.46 0.00 5.26 0.00 -1.07 -2.21 117.12 115.06 3df4 n MET 200 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.90 3df4 n MET 200 Cb 0.77 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.73 3df4 n MET 200 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3df4 n LEU 201 N 0.73 0.00 -4.49 3.17 7.99 -0.83 -5.03 117.00 118.54 3df4 n LEU 201 Ca 0.00 -0.26 -0.56 0.00 -0.01 0.00 0.00 56.01 55.19 3df4 n LEU 201 Cb 0.22 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.45 3df4 n LEU 201 CO 0.00 0.00 1.62 0.54 -1.51 0.00 0.00 177.39 178.04 3df4 n ARG 202 N -1.16 0.82 0.04 3.23 1.74 -0.94 -4.81 116.66 115.58 3df4 n ARG 202 Ca 0.00 0.26 0.01 0.00 -0.77 0.00 0.00 57.85 57.35 3df4 n ARG 202 Cb 0.00 -2.10 -0.07 0.00 -1.02 0.00 0.00 32.46 29.27 3df4 n ARG 202 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3df4 h VAL 203 N 6.43 0.47 0.00 1.55 3.04 -1.83 -3.48 116.25 122.43 3df4 h VAL 203 Ca -0.30 -1.91 0.00 0.00 -1.01 0.00 0.00 66.70 63.48 3df4 h VAL 203 Cb 1.34 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.63 3df4 h VAL 203 CO 1.02 0.27 0.00 0.18 -1.01 0.00 0.00 177.57 178.02 3df4 n LEU 204 N -2.89 0.00 0.00 3.16 4.77 -1.26 -4.87 117.00 115.91 3df4 n LEU 204 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3df4 n LEU 204 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3df4 n LEU 204 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3df4 n GLY 205 N 0.00 1.69 3.35 -0.72 0.00 -1.26 -4.68 105.19 103.57 3df4 n GLY 205 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 3df4 n GLY 205 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df4 n LYS 206 N 4.04 -0.14 -0.06 1.61 2.85 -0.80 -4.87 118.16 120.79 3df4 n LYS 206 Ca 0.00 -0.01 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 3df4 n LYS 206 Cb 0.00 -1.69 0.23 0.00 -0.65 0.00 0.00 35.03 32.93 3df4 n LYS 206 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3df4 h ALA 207 N -1.25 1.27 -0.92 0.58 0.00 -1.91 -3.20 119.26 113.82 3df4 h ALA 207 Ca -0.44 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.34 3df4 h ALA 207 Cb 1.30 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 3df4 h ALA 207 CO 0.34 0.50 -0.59 0.78 0.00 0.00 0.00 179.25 180.28 3df4 h GLY 208 N 0.91 -0.86 0.00 0.00 0.00 -1.95 -1.35 103.07 99.81 3df4 h GLY 208 Ca 0.14 0.79 0.00 0.00 0.00 0.00 0.00 47.33 48.26 3df4 h GLY 208 CO 0.01 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.58 3df4 n ALA 209 N -3.23 0.00 -0.33 3.60 0.00 -1.21 0.76 120.51 120.10 3df4 n ALA 209 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3df4 n ALA 209 Cb 0.27 0.37 0.31 0.00 0.00 0.00 0.00 19.45 20.41 3df4 n ALA 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 h ALA 210 N -0.83 1.57 0.77 0.00 0.00 -1.64 -1.67 119.26 117.46 3df4 h ALA 210 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3df4 h ALA 210 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3df4 h ALA 210 CO 0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 179.25 178.72 3df4 h ARG 211 N 0.63 -1.00 -0.34 0.00 2.47 0.15 -2.12 114.38 114.16 3df4 h ARG 211 Ca 0.57 0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.35 3df4 h ARG 211 Cb 0.95 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3df4 h ARG 211 CO -0.42 -0.67 0.00 -2.67 0.56 0.00 0.00 179.97 176.77 3df4 n TRP 212 N -4.98 0.00 0.14 3.04 2.14 0.16 -1.26 117.44 116.67 3df4 n TRP 212 Ca -0.13 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.49 3df4 n TRP 212 Cb 0.41 -0.03 0.08 0.00 -0.81 0.00 0.00 31.31 30.96 3df4 n TRP 212 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63 3df4 n ARG 213 N -0.03 1.51 -2.12 -2.67 0.63 -0.66 -3.85 116.66 109.46 3df4 n ARG 213 Ca 0.00 -1.48 0.00 0.00 -0.92 0.00 0.00 57.85 55.45 3df4 n ARG 213 Cb 0.09 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 31.79 3df4 n ARG 213 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3df4 n GLY 214 N 0.45 0.78 2.55 5.14 0.00 -0.39 -4.75 105.19 108.96 3df4 n GLY 214 Ca 0.07 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3df4 n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df4 s VAL 215 N -2.89 0.08 0.77 1.61 1.01 -0.95 -4.09 120.40 115.95 3df4 s VAL 215 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 3df4 s VAL 215 Cb 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.35 3df4 s VAL 215 CO 0.00 -0.77 1.09 -0.13 0.00 0.00 0.00 175.10 175.29 3df4 s ARG 216 N 1.86 2.26 0.87 2.72 1.81 -1.26 -4.04 118.95 123.16 3df4 s ARG 216 Ca 0.11 1.18 -0.11 0.00 -1.72 0.00 0.00 55.73 55.19 3df4 s ARG 216 Cb -0.17 -1.90 0.12 0.00 -0.45 0.00 0.00 34.95 32.55 3df4 s ARG 216 CO -0.29 -1.64 1.10 -1.25 -0.68 0.00 0.00 175.30 172.54 3df4 s PRO 217 N -4.87 1.43 -0.18 3.54 0.04 -1.26 -4.69 135.00 129.01 3df4 s PRO 217 Ca 0.61 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3df4 s PRO 217 Cb -0.17 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.57 3df4 s PRO 217 CO 0.55 -2.22 -0.16 0.99 0.04 0.00 0.00 177.00 176.20 3df4 s THR 218 N -2.81 2.43 -0.32 1.26 2.01 -1.26 -4.72 115.64 112.23 3df4 s THR 218 Ca 0.64 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.61 3df4 s THR 218 Cb -0.20 -2.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 3df4 s THR 218 CO 0.57 0.51 0.63 -0.69 -0.69 0.00 0.00 174.62 174.96 3df4 s VAL 219 N 1.21 4.92 1.09 3.82 1.01 -1.26 -5.05 120.40 126.14 3df4 s VAL 219 Ca 0.02 0.75 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 3df4 s VAL 219 Cb -0.14 -4.03 0.24 0.00 0.00 0.00 0.00 36.38 32.46 3df4 s VAL 219 CO -0.08 -0.20 1.06 -0.13 0.00 0.00 0.00 175.10 175.75 3df4 s ARG 220 N 2.64 -0.31 -0.10 2.72 3.00 -1.26 -5.00 118.95 120.65 3df4 s ARG 220 Ca 0.25 0.93 -0.11 0.00 0.00 0.00 0.00 55.73 56.80 3df4 s ARG 220 Cb -0.15 -1.62 -0.09 0.00 0.00 0.00 0.00 34.95 33.09 3df4 s ARG 220 CO 0.13 -3.34 0.36 0.78 0.00 0.00 0.00 175.30 173.23 3df4 h GLY 221 N -2.35 -0.08 -0.48 -3.53 0.00 -1.95 -3.30 103.07 91.37 3df4 h GLY 221 Ca -0.57 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3df4 h GLY 221 CO 0.50 -0.03 0.00 -0.37 0.00 0.00 0.00 176.54 176.64 3df4 n THR 222 N -4.79 0.00 0.24 4.70 5.66 -0.94 -0.33 114.28 118.82 3df4 n THR 222 Ca -0.04 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.99 3df4 n THR 222 Cb 0.17 -0.26 -0.05 0.00 -1.55 0.00 0.00 70.33 68.65 3df4 n THR 222 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3df4 n ALA 223 N -0.03 2.75 -2.44 1.79 0.00 -1.24 -4.93 120.51 116.41 3df4 n ALA 223 Ca 0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 3df4 n ALA 223 Cb 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 3df4 n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 s MET 224 N -1.92 2.26 0.66 0.00 0.23 0.56 -5.05 119.30 116.04 3df4 s MET 224 Ca 0.01 -1.76 -0.11 0.00 -1.03 0.00 0.00 55.69 52.80 3df4 s MET 224 Cb 0.05 -2.04 -0.02 0.00 -1.53 0.00 0.00 34.83 31.30 3df4 s MET 224 CO 0.30 -0.06 1.05 -0.80 -2.03 0.00 0.00 175.02 173.48 3df4 s ASN 225 N -3.90 5.85 0.19 -1.18 -0.87 -1.26 -4.08 114.94 109.69 3df4 s ASN 225 Ca 0.40 1.40 -0.19 0.00 -1.57 0.00 0.00 52.86 52.90 3df4 s ASN 225 Cb 0.02 -2.36 0.14 0.00 -0.02 0.00 0.00 41.25 39.02 3df4 s ASN 225 CO 0.23 -1.11 1.60 -0.65 -2.57 0.00 0.00 177.10 174.59 3df4 h PRO 226 N -0.49 -0.14 0.00 -0.60 0.11 -1.84 -0.16 132.00 128.88 3df4 h PRO 226 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3df4 h PRO 226 Cb 1.21 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3df4 h PRO 226 CO 0.61 -0.09 0.22 -0.39 -0.21 0.00 0.00 178.00 178.14 3df4 h VAL 227 N -0.15 0.00 0.00 3.15 -1.51 -1.98 -2.00 116.25 113.76 3df4 h VAL 227 Ca 0.24 0.00 -0.27 0.00 -1.23 0.00 0.00 66.70 65.43 3df4 h VAL 227 Cb 0.53 0.46 -0.05 0.00 -2.13 0.00 0.00 31.29 30.10 3df4 h VAL 227 CO -0.64 0.00 -2.11 0.47 -1.23 0.00 0.00 177.57 174.06 3df4 n ASP 228 N -2.35 0.89 -3.60 4.19 8.00 -0.11 -5.04 116.55 118.53 3df4 n ASP 228 Ca -0.01 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.33 3df4 n ASP 228 Cb 0.26 1.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.29 3df4 n ASP 228 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3df4 s HIS 229 N -2.49 -0.72 0.32 1.24 2.46 -0.75 -5.02 115.29 110.33 3df4 s HIS 229 Ca -0.08 1.62 0.10 0.00 0.47 0.00 0.00 55.06 57.16 3df4 s HIS 229 Cb 0.06 0.30 0.92 0.00 -0.13 0.00 0.00 32.58 33.73 3df4 s HIS 229 CO 0.69 -0.44 1.69 -1.35 -2.47 0.00 0.00 174.74 172.86 3df4 h PRO 230 N 4.41 0.41 -1.43 2.88 0.11 -1.82 0.41 132.00 136.96 3df4 h PRO 230 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3df4 h PRO 230 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3df4 h PRO 230 CO 0.17 0.27 0.00 0.72 -0.21 0.00 0.00 178.00 178.95 3df4 n HIS 231 N -5.01 0.00 0.00 0.65 8.25 -1.26 -4.79 115.22 113.07 3df4 n HIS 231 Ca 0.27 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 3df4 n HIS 231 Cb 0.82 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3df4 n HIS 231 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3df4 n GLY 232 N 0.93 -2.44 1.28 -1.41 0.00 0.14 -2.22 105.19 101.47 3df4 n GLY 232 Ca 0.00 -0.63 0.16 0.00 0.00 0.00 0.00 46.02 45.55 3df4 n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 233 N 1.01 -2.68 0.00 -0.02 0.00 -1.26 -4.71 105.19 97.53 3df4 n GLY 233 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3df4 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 234 N -4.11 1.35 2.29 -0.02 0.00 -1.26 -4.72 105.19 98.72 3df4 n GLY 234 Ca -0.04 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3df4 n GLY 234 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3df4 n GLU 235 N 0.00 -0.93 0.00 1.61 4.07 -1.26 -4.54 120.64 119.59 3df4 n GLU 235 Ca 0.00 0.74 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 3df4 n GLU 235 Cb 0.00 -4.86 0.00 0.00 -0.06 0.00 0.00 31.44 26.52 3df4 n GLU 235 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3df4 n GLY 236 N -1.20 0.51 6.21 8.31 0.00 -1.26 -4.97 105.19 112.79 3df4 n GLY 236 Ca -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3df4 n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 n ARG 237 N 0.00 0.00 -1.40 1.61 5.12 -1.26 -4.93 116.66 115.80 3df4 n ARG 237 Ca 0.00 0.00 0.19 0.00 -1.93 0.00 0.00 57.85 56.11 3df4 n ARG 237 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 3df4 n ARG 237 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3df4 n ASN 238 N 5.63 -8.29 0.00 0.55 4.13 -1.26 -4.51 115.26 111.51 3df4 n ASN 238 Ca 0.00 0.70 0.00 0.00 1.68 0.00 0.00 54.58 56.96 3df4 n ASN 238 Cb 0.00 -4.35 0.00 0.00 -1.54 0.00 0.00 39.78 33.89 3df4 n ASN 238 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3df4 n PHE 239 N -4.14 -0.02 -1.29 3.10 -0.00 -1.26 -5.00 117.46 108.85 3df4 n PHE 239 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.33 3df4 n PHE 239 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 40.10 3df4 n PHE 239 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3df4 n GLY 240 N -0.63 1.04 3.44 7.13 0.00 -1.26 -4.92 105.19 110.00 3df4 n GLY 240 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3df4 n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 s LYS 241 N -2.87 1.59 0.13 1.61 1.02 -1.26 -5.14 119.74 114.81 3df4 s LYS 241 Ca 0.00 -1.80 -0.21 0.00 0.02 0.00 0.00 55.97 53.98 3df4 s LYS 241 Cb 0.00 -1.24 -0.07 0.00 -0.52 0.00 0.00 37.83 36.00 3df4 s LYS 241 CO 0.00 0.06 0.65 -1.01 -0.92 0.00 0.00 175.35 174.13 3df4 s HIS 242 N -2.95 3.81 -0.27 3.18 3.76 -1.26 -4.98 115.29 116.59 3df4 s HIS 242 Ca 0.30 1.39 -0.33 0.00 -0.15 0.00 0.00 55.06 56.27 3df4 s HIS 242 Cb 0.03 -2.59 -0.10 0.00 1.11 0.00 0.00 32.58 31.04 3df4 s HIS 242 CO 0.13 0.52 2.14 -2.30 -0.85 0.00 0.00 174.74 174.38 3df4 n PRO 243 N 1.49 1.51 -4.13 8.40 -0.02 -1.26 -4.92 135.00 136.07 3df4 n PRO 243 Ca -0.08 0.45 -0.15 0.00 -2.02 0.00 0.00 63.50 61.70 3df4 n PRO 243 Cb 0.50 -2.70 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 3df4 n PRO 243 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3df4 s VAL 244 N 6.98 0.81 0.99 -1.45 -7.23 -1.26 -0.01 120.40 119.22 3df4 s VAL 244 Ca 1.04 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.77 3df4 s VAL 244 Cb -0.69 -0.97 0.18 0.00 0.56 0.00 0.00 36.38 35.46 3df4 s VAL 244 CO 0.46 -0.40 1.08 0.42 -0.31 0.00 0.00 175.10 176.35 3df4 s THR 245 N -1.70 2.28 -1.70 5.32 -4.23 -0.62 -4.72 115.64 110.26 3df4 s THR 245 Ca -0.03 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 3df4 s THR 245 Cb -0.08 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3df4 s THR 245 CO 0.01 -0.12 0.22 -2.65 -0.54 0.00 0.00 174.62 171.54 3df4 n PRO 246 N -4.21 0.00 0.00 3.99 -0.02 -1.26 -0.03 135.00 133.47 3df4 n PRO 246 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3df4 n PRO 246 Cb 0.56 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 3df4 n PRO 246 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3df4 n TRP 247 N -0.68 0.00 -1.43 6.00 8.01 -1.26 -4.64 117.44 123.44 3df4 n TRP 247 Ca 0.00 -0.18 0.00 0.00 -1.31 0.00 0.00 57.50 56.01 3df4 n TRP 247 Cb 0.00 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 3df4 n TRP 247 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3df4 n GLY 248 N -0.18 -0.41 3.31 6.99 0.00 0.96 -5.11 105.19 110.76 3df4 n GLY 248 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 3df4 n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df4 s VAL 249 N -2.07 -0.88 -0.77 1.61 1.01 -1.26 -4.83 120.40 113.21 3df4 s VAL 249 Ca 0.00 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.74 3df4 s VAL 249 Cb 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 36.38 35.29 3df4 s VAL 249 CO 0.00 -0.00 2.15 0.00 0.00 0.00 0.00 175.10 177.25 3df4 n GLN 250 N 5.42 0.00 0.02 2.72 0.00 -1.24 -1.58 117.38 122.72 3df4 n GLN 250 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 57.00 57.02 3df4 n GLN 250 Cb 0.50 -1.23 0.37 0.00 0.00 0.00 0.00 30.24 29.88 3df4 n GLN 250 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3df4 n THR 251 N 6.04 0.86 -1.81 -0.39 -1.04 0.98 -2.67 114.28 116.24 3df4 n THR 251 Ca 0.53 0.21 -0.28 0.00 -2.04 0.00 0.00 64.05 62.47 3df4 n THR 251 Cb 0.02 -0.96 0.04 0.00 -1.82 0.00 0.00 70.33 67.61 3df4 n THR 251 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3df4 n LYS 252 N -1.61 3.32 0.00 -2.82 4.01 -1.26 -5.00 118.16 114.80 3df4 n LYS 252 Ca 0.04 -3.89 0.00 0.00 -0.51 0.00 0.00 58.31 53.94 3df4 n LYS 252 Cb 0.20 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.44 3df4 n LYS 252 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3df4 n GLY 253 N -0.77 2.58 7.00 0.72 0.00 -1.09 -5.12 105.19 108.51 3df4 n GLY 253 Ca 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3df4 n GLY 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df4 n LYS 254 N 0.00 0.00 0.00 1.61 4.76 -1.26 -4.90 118.16 118.37 3df4 n LYS 254 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3df4 n LYS 254 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3df4 n LYS 254 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3df4 n LYS 255 N -0.01 0.00 0.00 1.97 4.01 -1.26 -5.03 118.16 117.84 3df4 n LYS 255 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3df4 n LYS 255 Cb 0.00 -0.13 0.00 0.00 -0.51 0.00 0.00 35.03 34.39 3df4 n LYS 255 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3df4 n THR 256 N -1.78 0.00 -1.59 -0.18 -2.24 -1.26 -4.92 114.28 102.31 3df4 n THR 256 Ca 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 3df4 n THR 256 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 3df4 n THR 256 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3df4 n ARG 257 N 0.00 1.94 -2.98 -0.78 0.00 -1.26 -4.86 116.66 108.72 3df4 n ARG 257 Ca 0.00 0.60 -0.15 0.00 -0.00 0.00 0.00 57.85 58.30 3df4 n ARG 257 Cb 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 32.46 29.49 3df4 n ARG 257 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3df4 n SER 258 N 9.98 -1.63 -0.09 6.15 2.88 -1.26 -4.99 113.62 124.66 3df4 n SER 258 Ca 0.30 -2.93 -0.10 0.00 -1.33 0.00 0.00 58.87 54.81 3df4 n SER 258 Cb 0.37 0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 64.49 3df4 n SER 258 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3df4 n ASN 259 N 1.88 1.90 0.00 -3.46 2.85 -1.26 -4.94 115.26 112.23 3df4 n ASN 259 Ca 0.17 0.43 0.00 0.00 -0.11 0.00 0.00 54.58 55.07 3df4 n ASN 259 Cb 0.57 -0.80 0.00 0.00 1.24 0.00 0.00 39.78 40.79 3df4 n ASN 259 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3df4 n LYS 260 N -4.49 0.00 -0.33 1.20 4.81 -1.26 -4.62 118.16 113.47 3df4 n LYS 260 Ca -0.16 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.39 3df4 n LYS 260 Cb 0.47 -3.89 0.29 0.00 0.02 0.00 0.00 35.03 31.92 3df4 n LYS 260 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3df4 n ARG 261 N -2.00 2.73 0.00 1.64 0.63 -1.26 -4.37 116.66 114.03 3df4 n ARG 261 Ca 0.00 -2.56 0.00 0.00 -0.92 0.00 0.00 57.85 54.37 3df4 n ARG 261 Cb 0.00 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.39 3df4 n ARG 261 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3df4 n THR 262 N 1.48 0.00 -0.32 5.15 -2.24 -1.26 -4.91 114.28 112.19 3df4 n THR 262 Ca 0.22 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.19 3df4 n THR 262 Cb 0.59 0.61 0.37 0.00 -2.10 0.00 0.00 70.33 69.81 3df4 n THR 262 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3df4 h ASP 263 N 0.00 0.19 -1.06 3.42 3.45 -1.93 0.74 116.42 121.24 3df4 h ASP 263 Ca 0.00 0.20 0.28 0.00 0.43 0.00 0.00 57.03 57.94 3df4 h ASP 263 Cb 0.11 0.23 -0.10 0.00 -0.56 0.00 0.00 39.33 39.00 3df4 h ASP 263 CO 0.00 -0.17 0.67 0.50 -1.57 0.00 0.00 179.24 178.68 3df4 h LYS 264 N 0.24 0.38 0.00 3.56 1.63 -1.91 0.82 116.57 121.29 3df4 h LYS 264 Ca 0.64 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.42 3df4 h LYS 264 Cb 1.38 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 3df4 h LYS 264 CO -0.65 0.25 0.00 0.74 -3.45 0.00 0.00 179.45 176.33 3df4 h PHE 265 N 0.39 0.00 -3.36 1.91 0.05 0.17 -3.45 116.94 112.65 3df4 h PHE 265 Ca 0.62 0.00 -0.55 0.00 3.82 0.00 0.00 57.97 61.86 3df4 h PHE 265 Cb 1.56 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.47 3df4 h PHE 265 CO -0.00 0.00 -0.01 -1.50 -0.18 0.00 0.00 178.31 176.62 3df4 s ILE 266 N -3.38 4.72 0.04 -0.55 1.10 0.28 -1.14 121.20 122.27 3df4 s ILE 266 Ca 0.05 1.12 -0.00 0.00 -0.51 0.00 0.00 60.65 61.31 3df4 s ILE 266 Cb 0.08 -3.84 -0.00 0.00 0.15 0.00 0.00 42.46 38.85 3df4 s ILE 266 CO 0.56 0.36 -0.01 0.52 -2.11 0.00 0.00 174.94 174.27 3df4 n VAL 267 N 1.14 0.58 -3.79 4.00 0.31 0.65 -4.98 118.33 116.24 3df4 n VAL 267 Ca -0.06 0.18 -0.28 0.00 -0.01 0.00 0.00 64.34 64.16 3df4 n VAL 267 Cb 0.51 -1.55 -0.16 0.00 -0.91 0.00 0.00 33.84 31.73 3df4 n VAL 267 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3df4 s ARG 268 N -2.01 0.93 1.02 5.55 0.52 -1.13 -4.94 118.95 118.89 3df4 s ARG 268 Ca -0.01 -0.59 -0.13 0.00 -0.52 0.00 0.00 55.73 54.49 3df4 s ARG 268 Cb 0.00 -2.25 0.15 0.00 0.52 0.00 0.00 34.95 33.37 3df4 s ARG 268 CO 0.01 -0.63 0.78 0.54 0.02 0.00 0.00 175.30 176.02 3df4 n ARG 269 N 4.94 -1.11 -1.53 3.54 5.12 -1.26 0.77 116.66 127.13 3df4 n ARG 269 Ca -0.10 -0.28 -0.46 0.00 -1.93 0.00 0.00 57.85 55.08 3df4 n ARG 269 Cb 0.46 -2.11 -0.02 0.00 -1.16 0.00 0.00 32.46 29.63 3df4 n ARG 269 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3df4 n ARG 270 N -3.55 0.92 0.00 5.56 0.63 -1.26 -4.59 116.66 114.37 3df4 n ARG 270 Ca 0.07 0.32 0.08 0.00 -0.92 0.00 0.00 57.85 57.41 3df4 n ARG 270 Cb 0.54 -1.60 0.07 0.00 0.45 0.00 0.00 32.46 31.92 3df4 n ARG 270 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55