#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 s THR 2 N 0.00 3.63 0.14 0.00 -1.32 -1.26 -4.95 115.64 111.88 3df1 s THR 2 Ca 0.00 1.26 -0.28 0.00 -1.21 0.00 0.00 61.69 61.46 3df1 s THR 2 Cb 0.00 -3.66 -0.03 0.00 -1.51 0.00 0.00 72.50 67.30 3df1 s THR 2 CO 0.00 0.02 1.58 0.58 -2.21 0.00 0.00 174.62 174.59 3df1 h VAL 3 N 2.19 0.13 -0.86 5.08 2.07 -2.04 -1.88 116.25 120.94 3df1 h VAL 3 Ca -0.48 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.25 3df1 h VAL 3 Cb 1.22 0.13 -0.15 0.00 -1.52 0.00 0.00 31.29 30.96 3df1 h VAL 3 CO 0.62 0.00 0.06 0.78 0.02 0.00 0.00 177.57 179.06 3df1 h ASN 4 N -0.41 -0.31 0.35 0.57 4.21 -2.00 -1.69 115.58 116.29 3df1 h ASN 4 Ca 0.10 0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.83 3df1 h ASN 4 Cb 0.61 0.37 -0.02 0.00 -1.12 0.00 0.00 38.32 38.15 3df1 h ASN 4 CO -0.48 -0.23 -0.44 1.56 -1.29 0.00 0.00 177.43 176.55 3df1 h GLN 5 N 0.10 -0.78 -0.71 0.81 4.20 -1.73 -2.79 115.11 114.21 3df1 h GLN 5 Ca 0.50 0.05 0.14 0.00 0.06 0.00 0.00 58.65 59.41 3df1 h GLN 5 Cb 0.97 0.18 -0.14 0.00 0.30 0.00 0.00 27.48 28.79 3df1 h GLN 5 CO -0.75 -0.52 -0.21 -0.07 -0.67 0.00 0.00 178.83 176.62 3df1 h LEU 6 N -0.81 -0.76 -1.90 1.46 3.38 -1.19 1.41 115.31 116.90 3df1 h LEU 6 Ca -0.04 0.22 0.20 0.00 0.09 0.00 0.00 57.88 58.35 3df1 h LEU 6 Cb 0.72 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3df1 h LEU 6 CO -0.10 -0.25 0.62 0.58 0.09 0.00 0.00 178.44 179.37 3df1 h VAL 7 N -0.02 0.40 0.00 1.22 2.07 -1.17 0.31 116.25 119.06 3df1 h VAL 7 Ca 0.33 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.70 3df1 h VAL 7 Cb 0.54 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3df1 h VAL 7 CO -0.74 0.00 -2.04 -1.14 0.02 0.00 0.00 177.57 173.67 3df1 n ARG 8 N -3.89 0.81 -3.36 1.57 0.63 0.26 -4.71 116.66 107.97 3df1 n ARG 8 Ca 0.14 -0.10 -0.26 0.00 -0.92 0.00 0.00 57.85 56.71 3df1 n ARG 8 Cb 0.87 -1.46 -0.09 0.00 0.45 0.00 0.00 32.46 32.23 3df1 n ARG 8 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3df1 n LYS 9 N -2.39 0.83 -0.78 -0.14 3.00 0.42 -5.10 118.16 114.00 3df1 n LYS 9 Ca -0.15 -3.49 -0.33 0.00 -0.00 0.00 0.00 58.31 54.34 3df1 n LYS 9 Cb 0.77 -1.60 0.13 0.00 0.00 0.00 0.00 35.03 34.32 3df1 n LYS 9 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3df1 n PRO 10 N 1.92 -0.68 -0.97 1.64 -0.02 0.58 -4.23 135.00 133.24 3df1 n PRO 10 Ca 0.25 -0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.25 3df1 n PRO 10 Cb 0.48 -1.70 0.13 0.00 -0.02 0.00 0.00 33.50 32.39 3df1 n PRO 10 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3df1 s ARG 11 N -3.37 1.61 -0.36 -0.52 1.81 -1.26 -5.03 118.95 111.83 3df1 s ARG 11 Ca 0.54 1.38 0.01 0.00 -1.72 0.00 0.00 55.73 55.94 3df1 s ARG 11 Cb -0.16 -1.81 0.14 0.00 -0.45 0.00 0.00 34.95 32.67 3df1 s ARG 11 CO 0.68 -2.16 0.25 0.00 -0.68 0.00 0.00 175.30 173.39 3df1 s ALA 12 N -2.75 0.67 0.00 2.13 0.00 -1.26 -5.06 121.76 115.48 3df1 s ALA 12 Ca 0.64 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3df1 s ALA 12 Cb -0.20 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3df1 s ALA 12 CO 0.57 -2.11 0.02 2.89 0.00 0.00 0.00 175.76 177.12 3df1 n ARG 13 N 4.04 0.00 -3.48 0.00 0.00 -1.26 -5.05 116.66 110.90 3df1 n ARG 13 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 3df1 n ARG 13 Cb 0.39 -0.52 0.00 0.00 -0.00 0.00 0.00 32.46 32.33 3df1 n ARG 13 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3df1 n LYS 14 N -0.02 -0.31 -1.72 2.89 0.00 -1.26 -5.02 118.16 112.71 3df1 n LYS 14 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 3df1 n LYS 14 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 3df1 n LYS 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3df1 n VAL 15 N 4.33 0.18 -0.50 0.58 0.24 -1.26 -5.12 118.33 116.79 3df1 n VAL 15 Ca 0.00 -0.90 -0.19 0.00 -2.04 0.00 0.00 64.34 61.21 3df1 n VAL 15 Cb 0.00 0.86 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 3df1 n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df1 n ALA 16 N -0.24 -0.56 -1.00 2.33 0.00 -1.26 -4.90 120.51 114.88 3df1 n ALA 16 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3df1 n ALA 16 Cb 0.88 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3df1 n ALA 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3df1 n LYS 17 N 1.04 -0.68 -3.66 0.00 -0.00 -1.26 -5.06 118.16 108.54 3df1 n LYS 17 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.17 3df1 n LYS 17 Cb -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.00 3df1 n LYS 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3df1 s SER 18 N -1.63 6.31 0.22 -5.58 0.15 -1.26 -5.01 113.70 106.90 3df1 s SER 18 Ca 0.00 0.28 0.23 0.00 0.70 0.00 0.00 55.95 57.16 3df1 s SER 18 Cb 0.00 -1.95 0.11 0.00 -1.71 0.00 0.00 66.02 62.46 3df1 s SER 18 CO 0.00 -0.18 1.17 -0.55 1.20 0.00 0.00 173.24 174.88 3df1 h ASN 19 N 1.03 0.00 -2.06 5.45 7.08 -2.01 -3.43 115.58 121.64 3df1 h ASN 19 Ca -0.51 -0.04 -0.26 0.00 -3.08 0.00 0.00 56.30 52.42 3df1 h ASN 19 Cb 1.22 0.00 -0.32 0.00 -2.08 0.00 0.00 38.32 37.14 3df1 h ASN 19 CO 0.62 0.02 -0.58 0.68 -2.08 0.00 0.00 177.43 176.09 3df1 s VAL 20 N -3.31 -0.49 -0.79 6.14 -7.23 -1.26 -4.97 120.40 108.50 3df1 s VAL 20 Ca 0.02 -0.29 -0.22 0.00 -1.81 0.00 0.00 61.98 59.68 3df1 s VAL 20 Cb 0.10 -0.90 -0.16 0.00 0.56 0.00 0.00 36.38 35.99 3df1 s VAL 20 CO 0.76 -0.31 1.93 -0.81 -0.31 0.00 0.00 175.10 176.36 3df1 n PRO 21 N 5.33 1.51 0.00 4.82 -0.04 -1.26 -4.57 135.00 140.78 3df1 n PRO 21 Ca -0.02 -1.87 0.12 0.00 -0.04 0.00 0.00 63.50 61.69 3df1 n PRO 21 Cb 0.48 -2.95 0.74 0.00 -0.04 0.00 0.00 33.50 31.73 3df1 n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3df1 n ALA 22 N 7.79 2.55 -1.55 0.55 0.00 -1.26 -4.99 120.51 123.60 3df1 n ALA 22 Ca 0.49 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.86 3df1 n ALA 22 Cb 0.41 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 3df1 n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3df1 n LEU 23 N -0.93 -1.42 -0.73 0.00 7.94 -1.26 -4.33 117.00 116.27 3df1 n LEU 23 Ca 0.19 2.71 -0.04 0.00 -1.11 0.00 0.00 56.01 57.76 3df1 n LEU 23 Cb 0.09 -3.19 -0.02 0.00 0.53 0.00 0.00 43.42 40.83 3df1 n LEU 23 CO 0.14 -1.45 -0.04 -0.62 -1.11 0.00 0.00 177.39 174.31 3df1 n GLU 24 N -3.45 -1.48 -2.61 1.96 1.02 -1.26 -0.46 120.64 114.37 3df1 n GLU 24 Ca -0.05 0.29 -0.16 0.00 -0.02 0.00 0.00 57.16 57.22 3df1 n GLU 24 Cb 0.59 -4.03 -0.00 0.00 -0.02 0.00 0.00 31.44 27.98 3df1 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3df1 n ALA 25 N -0.04 -0.80 -2.00 0.62 0.00 -1.26 -4.88 120.51 112.14 3df1 n ALA 25 Ca -0.04 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3df1 n ALA 25 Cb 0.19 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3df1 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df1 h PRO 27 N 6.37 0.00 -0.62 0.00 0.13 -1.90 -3.43 132.00 132.55 3df1 h PRO 27 Ca -0.43 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.92 3df1 h PRO 27 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 3df1 h PRO 27 CO 0.86 0.00 0.51 1.14 -0.23 0.00 0.00 178.00 180.28 3df1 s GLN 28 N -3.46 0.12 -0.03 0.86 0.00 -1.26 -4.70 119.66 111.18 3df1 s GLN 28 Ca 0.01 0.26 -0.02 0.00 -0.00 0.00 0.00 55.36 55.62 3df1 s GLN 28 Cb 0.08 0.12 -0.04 0.00 0.00 0.00 0.00 33.01 33.18 3df1 s GLN 28 CO 0.34 -0.04 0.08 0.15 0.00 0.00 0.00 175.29 175.82 3df1 s LYS 29 N 1.85 3.13 0.26 9.60 -0.14 -1.19 -4.87 119.74 128.38 3df1 s LYS 29 Ca -0.03 -0.41 -0.29 0.00 -1.36 0.00 0.00 55.97 53.88 3df1 s LYS 29 Cb -0.02 -2.91 -0.09 0.00 -1.68 0.00 0.00 37.83 33.12 3df1 s LYS 29 CO -0.15 0.68 0.94 0.50 -0.76 0.00 0.00 175.35 176.55 3df1 s ARG 30 N -1.52 4.78 0.40 1.68 3.52 -1.26 0.12 118.95 126.67 3df1 s ARG 30 Ca 0.21 1.44 0.06 0.00 -0.13 0.00 0.00 55.73 57.30 3df1 s ARG 30 Cb -0.12 -3.16 -0.07 0.00 -1.56 0.00 0.00 34.95 30.05 3df1 s ARG 30 CO 0.11 0.46 0.02 0.20 -0.81 0.00 0.00 175.30 175.28 3df1 s GLY 31 N -1.29 2.49 -0.01 8.12 0.00 0.81 -1.52 107.32 115.91 3df1 s GLY 31 Ca 0.43 -2.04 0.10 0.00 0.00 0.00 0.00 44.72 43.21 3df1 s GLY 31 CO 0.30 -2.05 0.22 -0.62 0.00 0.00 0.00 173.10 170.95 3df1 n VAL 32 N -0.95 0.00 -2.30 1.40 0.31 -1.17 -2.50 118.33 113.13 3df1 n VAL 32 Ca -0.06 -0.23 -0.02 0.00 -0.01 0.00 0.00 64.34 64.02 3df1 n VAL 32 Cb 0.67 0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.85 3df1 n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df1 n THR 34 N 1.59 0.08 -3.49 0.00 -2.24 0.31 -4.27 114.28 106.26 3df1 n THR 34 Ca -0.14 -0.51 -0.16 0.00 -2.27 0.00 0.00 64.05 60.96 3df1 n THR 34 Cb 0.22 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 3df1 n THR 34 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3df1 s ARG 35 N -3.45 1.12 -0.51 -0.78 6.06 -0.36 -4.95 118.95 116.08 3df1 s ARG 35 Ca -0.08 0.06 0.01 0.00 -2.50 0.00 0.00 55.73 53.22 3df1 s ARG 35 Cb 0.13 0.52 0.13 0.00 0.06 0.00 0.00 34.95 35.80 3df1 s ARG 35 CO 0.90 -0.39 0.28 0.14 -2.50 0.00 0.00 175.30 173.72 3df1 s VAL 36 N -1.90 2.97 0.25 7.11 -7.23 -1.26 0.87 120.40 121.21 3df1 s VAL 36 Ca -0.08 -2.92 -0.04 0.00 -1.81 0.00 0.00 61.98 57.13 3df1 s VAL 36 Cb -0.00 -3.03 0.06 0.00 0.56 0.00 0.00 36.38 33.97 3df1 s VAL 36 CO 0.04 -0.78 0.19 -1.22 -0.31 0.00 0.00 175.10 173.02 3df1 n TYR 37 N 3.57 -2.85 -0.75 2.82 4.01 0.12 -4.87 117.16 119.20 3df1 n TYR 37 Ca 0.05 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3df1 n TYR 37 Cb 0.36 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3df1 n TYR 37 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3df1 n THR 38 N -3.18 0.00 -0.88 -0.72 -2.24 -1.25 -3.45 114.28 102.56 3df1 n THR 38 Ca 0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 3df1 n THR 38 Cb 0.11 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.43 3df1 n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3df1 n THR 39 N 0.00 0.00 -3.13 4.28 -2.24 -1.25 -4.37 114.28 107.57 3df1 n THR 39 Ca 0.00 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 3df1 n THR 39 Cb 0.06 -0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 3df1 n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3df1 s THR 40 N -2.24 4.67 0.83 4.28 -4.23 -1.26 -3.68 115.64 114.01 3df1 s THR 40 Ca 0.50 0.97 -0.14 0.00 -1.18 0.00 0.00 61.69 61.84 3df1 s THR 40 Cb -0.19 -3.62 0.21 0.00 1.34 0.00 0.00 72.50 70.24 3df1 s THR 40 CO 0.74 -0.18 0.57 -0.81 -0.54 0.00 0.00 174.62 174.40 3df1 n PRO 41 N -0.34 -3.18 0.00 3.99 -0.04 -1.26 -4.93 135.00 129.23 3df1 n PRO 41 Ca 0.03 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 3df1 n PRO 41 Cb 0.53 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 3df1 n PRO 41 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3df1 n LYS 42 N -3.99 1.88 0.03 0.54 4.76 -0.13 -4.91 118.16 116.34 3df1 n LYS 42 Ca 0.09 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.34 3df1 n LYS 42 Cb 0.36 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.41 3df1 n LYS 42 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 3df1 h LYS 43 N 0.00 0.34 -0.27 1.97 5.09 -1.97 -3.38 116.57 118.35 3df1 h LYS 43 Ca 0.00 -0.48 -0.10 0.00 0.09 0.00 0.00 60.65 60.16 3df1 h LYS 43 Cb 0.00 0.16 -0.01 0.00 0.10 0.00 0.00 32.23 32.49 3df1 h LYS 43 CO 0.00 1.19 -0.21 -1.00 -2.09 0.00 0.00 179.45 177.34 3df1 h PRO 44 N -0.27 0.61 -7.10 0.07 0.13 -2.00 -3.46 132.00 119.98 3df1 h PRO 44 Ca -0.11 -0.30 -0.48 0.00 -0.87 0.00 0.00 66.00 64.24 3df1 h PRO 44 Cb 1.51 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.72 3df1 h PRO 44 CO 0.14 0.89 0.10 -0.80 -0.23 0.00 0.00 178.00 178.10 3df1 s ASN 45 N -6.38 4.26 -0.29 1.44 0.02 -1.26 -5.13 114.94 107.59 3df1 s ASN 45 Ca -0.13 -0.51 -0.15 0.00 -1.02 0.00 0.00 52.86 51.05 3df1 s ASN 45 Cb 0.08 0.20 0.12 0.00 0.02 0.00 0.00 41.25 41.67 3df1 s ASN 45 CO 0.80 -1.94 0.83 -0.55 0.02 0.00 0.00 177.10 176.27 3df1 s SER 46 N -4.79 -0.76 0.00 -1.22 0.15 -1.26 -4.60 113.70 101.22 3df1 s SER 46 Ca 0.67 1.17 0.00 0.00 0.70 0.00 0.00 55.95 58.50 3df1 s SER 46 Cb -0.04 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 3df1 s SER 46 CO 0.45 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.71 3df1 n ALA 47 N 4.26 0.00 -2.86 5.45 0.00 -1.26 -5.00 120.51 121.11 3df1 n ALA 47 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 3df1 n ALA 47 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 3df1 n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3df1 n LEU 48 N 0.00 -0.08 -4.61 0.00 4.77 -1.26 -4.57 117.00 111.26 3df1 n LEU 48 Ca 0.00 -4.11 -0.52 0.00 -0.03 0.00 0.00 56.01 51.35 3df1 n LEU 48 Cb 0.00 0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 3df1 n LEU 48 CO 0.00 1.97 0.96 0.54 -1.33 0.00 0.00 177.39 179.53 3df1 n ARG 49 N 0.05 1.20 -2.87 3.23 3.00 -1.24 -4.87 116.66 115.15 3df1 n ARG 49 Ca 0.12 0.43 -0.43 0.00 -0.01 0.00 0.00 57.85 57.96 3df1 n ARG 49 Cb 0.75 -2.09 -0.04 0.00 0.00 0.00 0.00 32.46 31.08 3df1 n ARG 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3df1 s LYS 50 N 0.81 3.15 0.36 5.56 1.02 -1.26 -3.89 119.74 125.49 3df1 s LYS 50 Ca 0.86 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 56.17 3df1 s LYS 50 Cb -0.95 -4.19 0.05 0.00 -0.52 0.00 0.00 37.83 32.23 3df1 s LYS 50 CO 0.48 -1.71 0.44 0.28 -0.92 0.00 0.00 175.35 173.91 3df1 n VAL 51 N 5.95 0.00 -3.53 3.17 0.31 -1.22 -1.13 118.33 121.89 3df1 n VAL 51 Ca -0.03 -1.26 -0.00 0.00 -0.01 0.00 0.00 64.34 63.04 3df1 n VAL 51 Cb 0.46 -0.56 -0.05 0.00 -0.91 0.00 0.00 33.84 32.78 3df1 n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df1 s ARG 53 N 1.79 4.49 0.35 0.00 3.52 0.25 -1.80 118.95 127.56 3df1 s ARG 53 Ca -0.06 1.57 0.09 0.00 -0.13 0.00 0.00 55.73 57.20 3df1 s ARG 53 Cb -0.04 -3.42 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 3df1 s ARG 53 CO -0.15 -0.17 0.02 0.08 -0.81 0.00 0.00 175.30 174.27 3df1 s VAL 54 N 1.14 2.50 -0.61 7.11 1.01 0.54 0.12 120.40 132.20 3df1 s VAL 54 Ca 0.55 -1.97 0.04 0.00 0.00 0.00 0.00 61.98 60.60 3df1 s VAL 54 Cb -0.24 -2.82 0.16 0.00 0.00 0.00 0.00 36.38 33.48 3df1 s VAL 54 CO 0.28 -0.16 0.42 -0.60 0.00 0.00 0.00 175.10 175.04 3df1 s ARG 55 N -3.72 2.03 0.83 2.72 3.52 -1.26 -2.25 118.95 120.81 3df1 s ARG 55 Ca 0.35 -2.94 -0.16 0.00 -0.13 0.00 0.00 55.73 52.86 3df1 s ARG 55 Cb 0.01 -2.94 -0.06 0.00 -1.56 0.00 0.00 34.95 30.41 3df1 s ARG 55 CO 0.19 -1.28 0.11 1.28 -0.81 0.00 0.00 175.30 174.79 3df1 n LEU 56 N 2.37 -1.59 -0.19 -0.88 4.77 -1.23 -3.05 117.00 117.21 3df1 n LEU 56 Ca 0.19 0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 56.56 3df1 n LEU 56 Cb 0.37 -1.07 0.06 0.00 -2.33 0.00 0.00 43.42 40.45 3df1 n LEU 56 CO 0.24 -4.14 1.05 0.71 -1.33 0.00 0.00 177.39 173.92 3df1 h THR 57 N -0.82 1.00 0.00 -5.08 1.35 -1.63 -0.27 112.91 107.45 3df1 h THR 57 Ca -0.44 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3df1 h THR 57 Cb 1.33 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3df1 h THR 57 CO 0.35 0.11 0.00 -0.46 -0.25 0.00 0.00 175.52 175.27 3df1 n ASN 58 N -4.82 0.04 -0.78 5.36 0.23 -1.26 -4.87 115.26 109.16 3df1 n ASN 58 Ca 0.05 0.51 0.00 0.00 -0.53 0.00 0.00 54.58 54.61 3df1 n ASN 58 Cb 0.12 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.30 3df1 n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3df1 n GLY 59 N -0.36 0.86 2.63 4.83 0.00 -0.11 -5.09 105.19 107.95 3df1 n GLY 59 Ca 0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 3df1 n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df1 s PHE 60 N -2.52 1.41 -1.05 1.61 0.40 -1.25 -4.95 117.98 111.63 3df1 s PHE 60 Ca 0.00 -1.89 -0.27 0.00 -0.60 0.00 0.00 56.93 54.18 3df1 s PHE 60 Cb 0.00 -1.49 -0.24 0.00 0.51 0.00 0.00 43.02 41.80 3df1 s PHE 60 CO 0.00 -0.82 2.10 0.39 0.70 0.00 0.00 175.22 177.58 3df1 n GLU 61 N 4.17 0.09 -1.28 0.44 -0.58 -1.26 -3.50 120.64 118.72 3df1 n GLU 61 Ca 0.05 -1.68 -0.01 0.00 -0.42 0.00 0.00 57.16 55.11 3df1 n GLU 61 Cb 0.38 -3.90 0.00 0.00 -0.57 0.00 0.00 31.44 27.35 3df1 n GLU 61 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3df1 n VAL 62 N 9.04 0.00 -4.17 2.62 0.24 -0.95 -4.88 118.33 120.24 3df1 n VAL 62 Ca 0.41 -0.12 -0.17 0.00 -2.04 0.00 0.00 64.34 62.41 3df1 n VAL 62 Cb 0.47 -0.81 -0.12 0.00 -1.47 0.00 0.00 33.84 31.91 3df1 n VAL 62 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3df1 s THR 63 N 0.48 1.06 0.01 3.34 2.01 -1.26 -0.34 115.64 120.93 3df1 s THR 63 Ca 0.03 -1.34 -0.02 0.00 0.31 0.00 0.00 61.69 60.67 3df1 s THR 63 Cb -0.00 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 3df1 s THR 63 CO 0.02 -0.28 0.03 -0.94 -0.69 0.00 0.00 174.62 172.75 3df1 s SER 64 N -1.83 0.11 0.10 3.53 1.04 -0.74 -3.44 113.70 112.47 3df1 s SER 64 Ca -0.01 -0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.03 3df1 s SER 64 Cb -0.09 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.08 3df1 s SER 64 CO 0.02 -0.23 0.48 -0.47 0.98 0.00 0.00 173.24 174.03 3df1 s TYR 65 N -0.98 3.62 -0.94 5.02 5.04 -1.07 -1.75 117.35 126.28 3df1 s TYR 65 Ca -0.11 0.96 -0.13 0.00 -2.44 0.00 0.00 57.07 55.36 3df1 s TYR 65 Cb -0.07 -2.29 0.23 0.00 0.35 0.00 0.00 41.96 40.19 3df1 s TYR 65 CO -0.00 0.49 0.92 0.42 -1.34 0.00 0.00 175.55 176.03 3df1 s ILE 66 N -1.39 5.69 0.99 3.14 1.09 -0.28 -1.64 121.20 128.79 3df1 s ILE 66 Ca 0.34 -2.75 -0.13 0.00 -1.10 0.00 0.00 60.65 57.01 3df1 s ILE 66 Cb -0.15 -4.54 0.10 0.00 -1.06 0.00 0.00 42.46 36.80 3df1 s ILE 66 CO 0.18 -1.12 0.57 0.61 -0.10 0.00 0.00 174.94 175.08 3df1 n GLY 67 N 3.63 -1.71 0.50 6.18 0.00 -1.26 -4.76 105.19 107.76 3df1 n GLY 67 Ca 0.18 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.48 3df1 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df1 n GLY 68 N 1.26 -2.47 3.66 -0.02 0.00 -1.26 -4.80 105.19 101.57 3df1 n GLY 68 Ca 0.07 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 3df1 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df1 s GLU 69 N -2.84 4.27 0.40 1.61 8.01 -1.26 -4.86 118.70 124.02 3df1 s GLU 69 Ca 0.00 1.32 0.00 0.00 0.01 0.00 0.00 54.97 56.30 3df1 s GLU 69 Cb 0.00 -3.63 0.00 0.00 -4.31 0.00 0.00 34.13 26.19 3df1 s GLU 69 CO 0.00 -0.59 0.00 0.41 0.01 0.00 0.00 175.26 175.09 3df1 n GLY 70 N 3.34 -3.32 0.00 -1.39 0.00 -1.26 -4.78 105.19 97.78 3df1 n GLY 70 Ca 0.11 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3df1 n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3df1 n HIS 71 N -3.02 0.00 -0.47 1.61 1.44 -1.26 -4.86 115.22 108.66 3df1 n HIS 71 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3df1 n HIS 71 Cb 0.40 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.51 3df1 n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3df1 n ASN 72 N 0.00 0.00 -4.64 4.39 6.94 -1.26 -5.01 115.26 115.68 3df1 n ASN 72 Ca 0.00 -0.03 -0.52 0.00 -0.02 0.00 0.00 54.58 54.01 3df1 n ASN 72 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 3df1 n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3df1 n LEU 73 N 0.00 2.27 0.00 -4.53 4.77 -1.26 -4.96 117.00 113.30 3df1 n LEU 73 Ca 0.00 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 3df1 n LEU 73 Cb 0.01 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3df1 n LEU 73 CO 0.00 -0.65 0.00 0.00 -1.33 0.00 0.00 177.39 175.41 3df1 n GLN 74 N 3.83 0.00 0.00 3.23 1.13 -1.26 -5.02 117.38 119.29 3df1 n GLN 74 Ca 0.21 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3df1 n GLN 74 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.55 3df1 n GLN 74 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3df1 n GLU 75 N 0.00 0.00 -0.81 -1.09 2.13 -1.26 -4.70 120.64 114.91 3df1 n GLU 75 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 3df1 n GLU 75 Cb 0.00 -0.42 0.32 0.00 0.27 0.00 0.00 31.44 31.61 3df1 n GLU 75 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3df1 n HIS 76 N -2.74 1.82 -2.16 4.31 8.25 -1.26 -4.22 115.22 119.21 3df1 n HIS 76 Ca 0.00 -0.99 -0.42 0.00 -0.26 0.00 0.00 57.72 56.06 3df1 n HIS 76 Cb 0.34 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 3df1 n HIS 76 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3df1 s SER 77 N -1.33 6.83 -0.23 0.41 1.04 -1.24 -4.91 113.70 114.27 3df1 s SER 77 Ca 0.51 2.44 -0.22 0.00 0.48 0.00 0.00 55.95 59.16 3df1 s SER 77 Cb 0.40 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 3df1 s SER 77 CO 0.12 -0.59 0.71 -0.69 0.98 0.00 0.00 173.24 173.77 3df1 s VAL 78 N 0.33 4.94 0.18 5.02 1.01 -1.26 -3.65 120.40 126.95 3df1 s VAL 78 Ca 0.59 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3df1 s VAL 78 Cb -0.38 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 3df1 s VAL 78 CO 0.37 0.02 0.02 2.30 0.00 0.00 0.00 175.10 177.81 3df1 n ILE 79 N 5.04 0.00 -4.23 2.22 -5.35 -1.04 -1.69 119.36 114.31 3df1 n ILE 79 Ca 0.02 -0.90 -0.17 0.00 -0.27 0.00 0.00 62.75 61.43 3df1 n ILE 79 Cb 0.49 0.24 -0.13 0.00 -1.74 0.00 0.00 39.64 38.49 3df1 n ILE 79 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3df1 s LEU 80 N 0.00 2.16 -0.06 7.28 2.96 -1.26 -0.14 118.68 129.62 3df1 s LEU 80 Ca 0.03 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.44 3df1 s LEU 80 Cb 0.00 -0.41 -0.05 0.00 0.50 0.00 0.00 46.19 46.24 3df1 s LEU 80 CO 0.02 -0.03 0.24 -0.63 -1.32 0.00 0.00 176.35 174.63 3df1 s ILE 81 N -0.86 5.33 0.00 6.68 -1.09 0.12 -2.05 121.20 129.33 3df1 s ILE 81 Ca -0.02 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 3df1 s ILE 81 Cb -0.07 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 3df1 s ILE 81 CO 0.01 0.57 0.00 -1.14 -1.23 0.00 0.00 174.94 173.15 3df1 n ARG 82 N 1.80 0.00 0.00 2.79 0.63 0.34 -3.18 116.66 119.04 3df1 n ARG 82 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 3df1 n ARG 82 Cb 0.54 -0.07 0.00 0.00 0.45 0.00 0.00 32.46 33.38 3df1 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3df1 n GLY 83 N 2.38 0.00 2.82 5.14 0.00 -1.26 -4.40 105.19 109.87 3df1 n GLY 83 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3df1 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3df1 s GLY 84 N 0.00 0.24 0.88 -0.02 0.00 -1.19 -4.89 107.32 102.34 3df1 s GLY 84 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.76 3df1 s GLY 84 CO 0.00 0.59 1.23 1.09 0.00 0.00 0.00 173.10 176.01 3df1 s ARG 85 N 1.00 1.12 -0.08 2.90 1.70 -0.63 -3.21 118.95 121.76 3df1 s ARG 85 Ca -0.10 -0.41 0.01 0.00 -0.47 0.00 0.00 55.73 54.76 3df1 s ARG 85 Cb -0.14 -1.95 0.02 0.00 -0.57 0.00 0.00 34.95 32.31 3df1 s ARG 85 CO -0.02 -2.06 -0.08 0.08 -1.08 0.00 0.00 175.30 172.14 3df1 s VAL 86 N -3.69 0.91 0.30 4.99 1.01 -0.83 -4.95 120.40 118.14 3df1 s VAL 86 Ca 0.70 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.49 3df1 s VAL 86 Cb -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3df1 s VAL 86 CO 0.51 0.32 1.68 0.50 0.00 0.00 0.00 175.10 178.11 3df1 h LYS 87 N 7.54 0.04 0.00 2.72 3.64 -1.99 -3.20 116.57 125.32 3df1 h LYS 87 Ca -0.31 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 58.82 3df1 h LYS 87 Cb 1.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 3df1 h LYS 87 CO 0.43 0.56 -1.24 -0.44 -2.27 0.00 0.00 179.45 176.49 3df1 h ASP 88 N 0.03 0.00 -3.58 4.20 3.45 -1.97 -3.44 116.42 115.12 3df1 h ASP 88 Ca -0.00 0.00 -0.71 0.00 0.43 0.00 0.00 57.03 56.75 3df1 h ASP 88 Cb 0.94 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.46 3df1 h ASP 88 CO 0.07 0.94 -0.51 -0.76 -1.57 0.00 0.00 179.24 177.41 3df1 s LEU 89 N -6.42 4.75 0.61 1.55 2.01 -1.21 -0.95 118.68 119.02 3df1 s LEU 89 Ca -0.01 -1.01 -0.17 0.00 0.01 0.00 0.00 54.13 52.94 3df1 s LEU 89 Cb 0.09 -2.03 -0.02 0.00 0.01 0.00 0.00 46.19 44.24 3df1 s LEU 89 CO 0.82 -0.39 1.16 -2.16 1.01 0.00 0.00 176.35 176.78 3df1 s PRO 90 N 1.55 2.94 0.00 1.29 0.04 -1.26 -3.24 135.00 136.33 3df1 s PRO 90 Ca 0.02 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3df1 s PRO 90 Cb -0.19 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3df1 s PRO 90 CO 0.07 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.33 3df1 n GLY 91 N 0.10 1.21 3.55 0.56 0.00 -1.26 -4.88 105.19 104.48 3df1 n GLY 91 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3df1 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df1 s VAL 92 N 0.00 3.12 -0.33 1.61 1.01 -1.20 -4.65 120.40 119.96 3df1 s VAL 92 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.05 3df1 s VAL 92 Cb 0.00 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 3df1 s VAL 92 CO 0.00 -0.27 0.34 0.54 0.00 0.00 0.00 175.10 175.71 3df1 n ARG 93 N 8.96 3.31 -4.21 2.72 1.74 -1.26 -1.97 116.66 125.95 3df1 n ARG 93 Ca 0.38 -0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 57.21 3df1 n ARG 93 Cb 0.50 -0.98 -0.06 0.00 -1.02 0.00 0.00 32.46 30.90 3df1 n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3df1 s TYR 94 N -1.99 2.89 0.11 -1.55 2.02 -1.22 -1.60 117.35 116.00 3df1 s TYR 94 Ca 0.02 -0.16 0.07 0.00 -0.37 0.00 0.00 57.07 56.63 3df1 s TYR 94 Cb 0.06 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 3df1 s TYR 94 CO 0.36 0.57 -0.17 -1.01 -1.57 0.00 0.00 175.55 173.73 3df1 s HIS 95 N -2.18 1.58 0.43 2.71 3.76 -1.20 -2.59 115.29 117.81 3df1 s HIS 95 Ca 0.32 -0.47 -0.09 0.00 -0.15 0.00 0.00 55.06 54.66 3df1 s HIS 95 Cb -0.07 -0.84 -0.06 0.00 1.11 0.00 0.00 32.58 32.72 3df1 s HIS 95 CO 0.22 0.18 0.78 0.99 -0.85 0.00 0.00 174.74 176.06 3df1 s THR 96 N -1.59 4.81 -0.73 1.30 2.01 -0.65 0.13 115.64 120.92 3df1 s THR 96 Ca 0.07 0.53 -0.13 0.00 0.31 0.00 0.00 61.69 62.47 3df1 s THR 96 Cb -0.08 -3.77 0.19 0.00 0.01 0.00 0.00 72.50 68.85 3df1 s THR 96 CO 0.04 -0.62 0.65 -0.69 -0.69 0.00 0.00 174.62 173.31 3df1 s VAL 97 N -2.49 5.21 -0.19 3.82 1.01 -0.87 -4.74 120.40 122.15 3df1 s VAL 97 Ca 0.50 -2.32 -0.33 0.00 0.00 0.00 0.00 61.98 59.83 3df1 s VAL 97 Cb -0.10 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 3df1 s VAL 97 CO 0.35 -0.96 2.03 0.54 0.00 0.00 0.00 175.10 177.06 3df1 n ARG 98 N 4.20 1.82 0.00 2.72 5.12 -1.26 -1.78 116.66 127.47 3df1 n ARG 98 Ca 0.07 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 3df1 n ARG 98 Cb 0.44 -2.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.04 3df1 n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df1 n GLY 99 N 5.25 2.64 3.77 -0.13 0.00 0.22 -1.41 105.19 115.54 3df1 n GLY 99 Ca 0.29 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 3df1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 s ALA 100 N -0.47 2.51 0.00 4.61 0.00 -0.73 -4.65 121.76 123.02 3df1 s ALA 100 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3df1 s ALA 100 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3df1 s ALA 100 CO 0.00 -1.20 0.00 1.28 0.00 0.00 0.00 175.76 175.84 3df1 n LEU 101 N -2.23 0.00 -0.07 0.00 4.77 -1.26 -2.32 117.00 115.88 3df1 n LEU 101 Ca 0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3df1 n LEU 101 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 3df1 n LEU 101 CO 0.47 0.00 0.13 0.44 -1.33 0.00 0.00 177.39 177.09 3df1 h ASP 102 N 0.00 0.00 -1.42 -1.43 3.45 -1.63 -3.46 116.42 111.93 3df1 h ASP 102 Ca 0.00 -0.73 -0.75 0.00 0.43 0.00 0.00 57.03 55.98 3df1 h ASP 102 Cb 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.80 3df1 h ASP 102 CO 0.00 1.03 0.56 0.00 -1.57 0.00 0.00 179.24 179.26 3df1 n SER 104 N 3.46 0.00 -4.56 0.00 3.41 -1.26 -1.09 113.62 113.58 3df1 n SER 104 Ca 0.23 -0.99 -0.26 0.00 -0.26 0.00 0.00 58.87 57.58 3df1 n SER 104 Cb 0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 3df1 n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3df1 s GLY 105 N -2.66 1.73 0.18 5.00 0.00 -1.25 0.73 107.32 111.04 3df1 s GLY 105 Ca 0.00 -1.51 -0.33 0.00 0.00 0.00 0.00 44.72 42.88 3df1 s GLY 105 CO 0.00 -1.54 1.23 -0.62 0.00 0.00 0.00 173.10 172.18 3df1 n VAL 106 N -0.00 0.79 -2.77 1.40 0.31 -0.76 -4.93 118.33 112.38 3df1 n VAL 106 Ca -0.11 -0.20 -0.37 0.00 -0.01 0.00 0.00 64.34 63.65 3df1 n VAL 106 Cb 0.56 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 32.45 3df1 n VAL 106 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3df1 s LYS 107 N -0.27 4.59 -1.52 5.55 0.00 -1.26 -3.86 119.74 122.98 3df1 s LYS 107 Ca 0.73 1.35 -0.11 0.00 0.00 0.00 0.00 55.97 57.94 3df1 s LYS 107 Cb -0.82 -2.83 0.08 0.00 0.00 0.00 0.00 37.83 34.26 3df1 s LYS 107 CO 0.51 0.28 0.86 -0.25 0.00 0.00 0.00 175.35 176.75 3df1 n ASP 108 N 0.61 -3.65 -4.64 0.03 10.43 -1.26 -4.94 116.55 113.13 3df1 n ASP 108 Ca 0.02 -0.84 -0.39 0.00 2.57 0.00 0.00 54.79 56.15 3df1 n ASP 108 Cb 0.50 -3.66 -0.08 0.00 1.84 0.00 0.00 41.12 39.72 3df1 n ASP 108 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3df1 s ARG 109 N -6.57 4.11 0.00 -1.24 6.06 -1.25 -4.99 118.95 115.08 3df1 s ARG 109 Ca 0.52 0.23 0.00 0.00 -2.50 0.00 0.00 55.73 53.99 3df1 s ARG 109 Cb -0.27 -3.60 0.00 0.00 0.06 0.00 0.00 34.95 31.15 3df1 s ARG 109 CO 0.85 -0.19 0.00 1.63 -2.50 0.00 0.00 175.30 175.09 3df1 n LYS 110 N 4.99 0.00 -1.64 5.12 4.76 -1.26 -4.80 118.16 125.33 3df1 n LYS 110 Ca -0.07 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.93 3df1 n LYS 110 Cb 0.51 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.68 3df1 n LYS 110 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3df1 n GLN 111 N -0.30 1.73 -3.43 1.97 6.02 -1.26 -2.30 117.38 119.81 3df1 n GLN 111 Ca 0.00 0.61 -0.21 0.00 -0.01 0.00 0.00 57.00 57.39 3df1 n GLN 111 Cb 0.00 -2.13 0.05 0.00 1.02 0.00 0.00 30.24 29.18 3df1 n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3df1 n ALA 112 N 0.81 -2.53 0.11 -1.58 0.00 -1.26 -4.93 120.51 111.14 3df1 n ALA 112 Ca 0.09 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 3df1 n ALA 112 Cb 0.32 -4.70 -0.14 0.00 0.00 0.00 0.00 19.45 14.93 3df1 n ALA 112 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3df1 h ARG 113 N -1.30 0.60 -0.39 0.00 2.43 -1.77 -3.35 114.38 110.60 3df1 h ARG 113 Ca -0.59 -0.87 0.04 0.00 -0.81 0.00 0.00 59.98 57.75 3df1 h ARG 113 Cb 1.31 0.30 -0.06 0.00 -0.42 0.00 0.00 29.97 31.10 3df1 h ARG 113 CO 0.45 1.41 -0.37 1.03 -1.51 0.00 0.00 179.97 180.97 3df1 h SER 114 N 0.24 -1.28 -4.14 -3.80 0.87 -1.89 -2.83 113.55 100.73 3df1 h SER 114 Ca -0.21 0.18 -0.54 0.00 -1.23 0.00 0.00 61.79 59.98 3df1 h SER 114 Cb 2.01 0.54 0.15 0.00 -0.44 0.00 0.00 62.40 64.66 3df1 h SER 114 CO 0.25 -0.23 0.46 -0.54 -0.53 0.00 0.00 176.83 176.25 3df1 s LYS 115 N -4.68 2.42 -0.88 2.24 1.02 -1.26 -2.13 119.74 116.46 3df1 s LYS 115 Ca -0.09 1.91 0.00 0.00 0.02 0.00 0.00 55.97 57.81 3df1 s LYS 115 Cb 0.06 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 3df1 s LYS 115 CO 0.40 -1.66 0.00 0.66 -0.92 0.00 0.00 175.35 173.83 3df1 n TYR 116 N -2.22 -0.04 -2.55 3.18 4.02 -1.26 -4.43 117.16 113.86 3df1 n TYR 116 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 3df1 n TYR 116 Cb 0.49 -1.76 0.00 0.00 -0.02 0.00 0.00 39.34 38.05 3df1 n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3df1 n GLY 117 N -1.86 0.00 3.06 2.72 0.00 -0.50 -1.82 105.19 106.78 3df1 n GLY 117 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3df1 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df1 s VAL 118 N -0.50 -0.50 0.66 1.61 1.01 -1.07 -3.96 120.40 117.66 3df1 s VAL 118 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 3df1 s VAL 118 Cb 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 3df1 s VAL 118 CO 0.00 0.06 1.09 -0.54 0.00 0.00 0.00 175.10 175.71 3df1 s LYS 119 N 2.48 2.87 0.34 2.72 -0.14 -1.26 -4.39 119.74 122.36 3df1 s LYS 119 Ca 0.02 1.28 -0.28 0.00 -1.36 0.00 0.00 55.97 55.62 3df1 s LYS 119 Cb -0.13 -1.97 -0.12 0.00 -1.68 0.00 0.00 37.83 33.94 3df1 s LYS 119 CO -0.11 -1.18 1.34 -2.13 -0.76 0.00 0.00 175.35 172.51 3df1 n ARG 120 N -2.53 2.24 0.00 1.68 0.63 -1.26 -4.98 116.66 112.44 3df1 n ARG 120 Ca 0.10 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 3df1 n ARG 120 Cb 0.52 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.03 3df1 n ARG 120 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3df1 n PRO 121 N 0.60 0.00 0.05 -0.14 -0.04 -1.26 -5.05 135.00 129.16 3df1 n PRO 121 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3df1 n PRO 121 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 3df1 n PRO 121 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3df1 n LYS 122 N 0.00 0.00 0.00 0.54 -0.00 -1.26 -5.30 118.16 112.14 3df1 n LYS 122 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 3df1 n LYS 122 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 3df1 n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40