#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 s THR 2 N 0.00 3.70 0.14 0.00 -1.32 -1.26 -4.96 115.64 111.94 3df3 s THR 2 Ca 0.00 1.34 -0.30 0.00 -1.21 0.00 0.00 61.69 61.52 3df3 s THR 2 Cb 0.00 -3.71 -0.06 0.00 -1.51 0.00 0.00 72.50 67.22 3df3 s THR 2 CO 0.00 0.05 1.57 0.58 -2.21 0.00 0.00 174.62 174.61 3df3 h VAL 3 N 2.29 0.08 -0.87 5.08 2.07 -2.04 -1.85 116.25 121.01 3df3 h VAL 3 Ca -0.48 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.26 3df3 h VAL 3 Cb 1.21 0.08 -0.15 0.00 -1.52 0.00 0.00 31.29 30.91 3df3 h VAL 3 CO 0.63 0.00 0.04 0.78 0.02 0.00 0.00 177.57 179.04 3df3 h ASN 4 N -0.44 -0.36 0.31 0.57 4.21 -2.00 -1.58 115.58 116.30 3df3 h ASN 4 Ca 0.09 0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.83 3df3 h ASN 4 Cb 0.62 0.39 -0.03 0.00 -1.12 0.00 0.00 38.32 38.19 3df3 h ASN 4 CO -0.49 -0.24 -0.45 1.56 -1.29 0.00 0.00 177.43 176.51 3df3 h GLN 5 N 0.08 -0.77 -0.69 0.81 4.20 -1.72 -2.76 115.11 114.27 3df3 h GLN 5 Ca 0.51 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.40 3df3 h GLN 5 Cb 0.98 0.18 -0.13 0.00 0.30 0.00 0.00 27.48 28.80 3df3 h GLN 5 CO -0.77 -0.51 -0.22 -0.07 -0.67 0.00 0.00 178.83 176.59 3df3 h LEU 6 N -0.80 -0.78 -1.86 1.46 3.38 -1.17 1.38 115.31 116.92 3df3 h LEU 6 Ca -0.04 0.22 0.18 0.00 0.09 0.00 0.00 57.88 58.33 3df3 h LEU 6 Cb 0.73 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3df3 h LEU 6 CO -0.13 -0.25 0.61 0.58 0.09 0.00 0.00 178.44 179.33 3df3 h VAL 7 N -0.04 0.35 0.00 1.22 2.07 -1.15 0.33 116.25 119.03 3df3 h VAL 7 Ca 0.32 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.67 3df3 h VAL 7 Cb 0.53 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3df3 h VAL 7 CO -0.72 0.00 -2.04 -1.14 0.02 0.00 0.00 177.57 173.69 3df3 n ARG 8 N -3.77 0.87 -3.37 1.57 0.63 0.26 -4.72 116.66 108.14 3df3 n ARG 8 Ca 0.13 -0.09 -0.26 0.00 -0.92 0.00 0.00 57.85 56.71 3df3 n ARG 8 Cb 0.84 -1.45 -0.09 0.00 0.45 0.00 0.00 32.46 32.22 3df3 n ARG 8 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3df3 n LYS 9 N -2.41 0.87 -0.78 -0.14 3.00 0.41 -5.10 118.16 114.01 3df3 n LYS 9 Ca -0.17 -3.52 -0.33 0.00 -0.00 0.00 0.00 58.31 54.29 3df3 n LYS 9 Cb 0.79 -1.62 0.13 0.00 0.00 0.00 0.00 35.03 34.33 3df3 n LYS 9 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3df3 n PRO 10 N 1.90 -0.70 -1.03 1.64 -0.02 0.53 -4.24 135.00 133.07 3df3 n PRO 10 Ca 0.25 -0.18 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 3df3 n PRO 10 Cb 0.48 -1.69 0.12 0.00 -0.02 0.00 0.00 33.50 32.39 3df3 n PRO 10 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3df3 s ARG 11 N -3.36 1.70 -0.36 -0.52 1.81 -1.26 -5.03 118.95 111.93 3df3 s ARG 11 Ca 0.54 1.39 0.01 0.00 -1.72 0.00 0.00 55.73 55.95 3df3 s ARG 11 Cb -0.16 -1.82 0.15 0.00 -0.45 0.00 0.00 34.95 32.67 3df3 s ARG 11 CO 0.68 -2.10 0.25 0.00 -0.68 0.00 0.00 175.30 173.46 3df3 s ALA 12 N -2.71 0.76 0.00 2.13 0.00 -1.26 -5.06 121.76 115.62 3df3 s ALA 12 Ca 0.65 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3df3 s ALA 12 Cb -0.21 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.24 3df3 s ALA 12 CO 0.56 -2.10 0.03 2.89 0.00 0.00 0.00 175.76 177.13 3df3 n ARG 13 N 3.91 0.00 -3.48 0.00 0.00 -1.26 -5.05 116.66 110.78 3df3 n ARG 13 Ca 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 3df3 n ARG 13 Cb 0.40 -0.53 0.00 0.00 -0.00 0.00 0.00 32.46 32.33 3df3 n ARG 13 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3df3 n LYS 14 N -0.03 -0.28 -1.63 2.89 0.00 -1.26 -5.02 118.16 112.82 3df3 n LYS 14 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 3df3 n LYS 14 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3df3 n LYS 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3df3 n VAL 15 N 4.30 0.15 -0.44 0.58 0.24 -1.26 -5.12 118.33 116.78 3df3 n VAL 15 Ca 0.00 -0.82 -0.17 0.00 -2.04 0.00 0.00 64.34 61.30 3df3 n VAL 15 Cb 0.00 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 3df3 n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df3 n ALA 16 N -0.14 -0.58 -1.00 2.33 0.00 -1.26 -4.90 120.51 114.96 3df3 n ALA 16 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3df3 n ALA 16 Cb 0.88 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3df3 n ALA 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3df3 n LYS 17 N 0.90 -0.63 -3.62 0.00 -0.00 -1.26 -5.06 118.16 108.49 3df3 n LYS 17 Ca 0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.16 3df3 n LYS 17 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.01 3df3 n LYS 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3df3 s SER 18 N -1.59 6.25 0.21 -5.58 0.15 -1.26 -5.01 113.70 106.88 3df3 s SER 18 Ca 0.00 0.23 0.23 0.00 0.70 0.00 0.00 55.95 57.10 3df3 s SER 18 Cb 0.00 -1.86 0.06 0.00 -1.71 0.00 0.00 66.02 62.51 3df3 s SER 18 CO 0.00 -0.23 1.12 -0.55 1.20 0.00 0.00 173.24 174.78 3df3 h ASN 19 N 0.92 0.00 -2.09 5.45 7.08 -2.01 -3.43 115.58 121.49 3df3 h ASN 19 Ca -0.50 -0.02 -0.27 0.00 -3.08 0.00 0.00 56.30 52.43 3df3 h ASN 19 Cb 1.23 0.00 -0.32 0.00 -2.08 0.00 0.00 38.32 37.15 3df3 h ASN 19 CO 0.60 0.01 -0.58 0.68 -2.08 0.00 0.00 177.43 176.06 3df3 s VAL 20 N -3.33 -0.47 -0.78 6.14 -7.23 -1.26 -4.97 120.40 108.50 3df3 s VAL 20 Ca 0.01 -0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 59.67 3df3 s VAL 20 Cb 0.10 -0.89 -0.15 0.00 0.56 0.00 0.00 36.38 35.99 3df3 s VAL 20 CO 0.77 -0.32 1.94 -0.81 -0.31 0.00 0.00 175.10 176.37 3df3 n PRO 21 N 5.33 1.54 0.00 4.82 -0.04 -1.26 -4.57 135.00 140.82 3df3 n PRO 21 Ca -0.03 -1.80 0.12 0.00 -0.04 0.00 0.00 63.50 61.75 3df3 n PRO 21 Cb 0.48 -2.87 0.70 0.00 -0.04 0.00 0.00 33.50 31.77 3df3 n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3df3 n ALA 22 N 7.20 2.48 -1.53 0.55 0.00 -1.26 -4.99 120.51 122.95 3df3 n ALA 22 Ca 0.49 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.87 3df3 n ALA 22 Cb 0.38 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 3df3 n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3df3 n LEU 23 N -0.94 -1.39 -0.70 0.00 7.94 -1.26 -4.34 117.00 116.30 3df3 n LEU 23 Ca 0.18 2.70 -0.04 0.00 -1.11 0.00 0.00 56.01 57.74 3df3 n LEU 23 Cb 0.08 -3.15 -0.02 0.00 0.53 0.00 0.00 43.42 40.86 3df3 n LEU 23 CO 0.13 -1.48 -0.04 -0.62 -1.11 0.00 0.00 177.39 174.27 3df3 n GLU 24 N -3.48 -1.49 -2.52 1.96 1.02 -1.26 -0.39 120.64 114.48 3df3 n GLU 24 Ca -0.05 0.28 -0.16 0.00 -0.02 0.00 0.00 57.16 57.21 3df3 n GLU 24 Cb 0.59 -3.98 -0.00 0.00 -0.02 0.00 0.00 31.44 28.03 3df3 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3df3 n ALA 25 N -0.05 -0.76 -2.00 0.62 0.00 -1.26 -4.88 120.51 112.19 3df3 n ALA 25 Ca -0.04 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3df3 n ALA 25 Cb 0.18 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 3df3 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df3 n PRO 27 N 3.79 0.13 -3.39 0.00 -0.04 -1.26 -4.67 135.00 129.56 3df3 n PRO 27 Ca 0.12 0.46 0.03 0.00 -0.04 0.00 0.00 63.50 64.08 3df3 n PRO 27 Cb 0.40 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 3df3 n PRO 27 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3df3 s GLN 28 N -3.30 0.07 -0.01 0.54 0.00 -1.26 -4.71 119.66 110.99 3df3 s GLN 28 Ca 0.02 0.15 0.00 0.00 -0.00 0.00 0.00 55.36 55.53 3df3 s GLN 28 Cb 0.07 0.06 -0.04 0.00 0.00 0.00 0.00 33.01 33.11 3df3 s GLN 28 CO 0.27 -0.02 0.06 0.15 0.00 0.00 0.00 175.29 175.75 3df3 s LYS 29 N 1.67 2.99 0.23 9.60 -0.14 -1.18 -4.87 119.74 128.04 3df3 s LYS 29 Ca -0.03 -0.52 -0.29 0.00 -1.36 0.00 0.00 55.97 53.77 3df3 s LYS 29 Cb -0.02 -2.81 -0.09 0.00 -1.68 0.00 0.00 37.83 33.24 3df3 s LYS 29 CO -0.14 0.64 0.91 0.50 -0.76 0.00 0.00 175.35 176.50 3df3 s ARG 30 N -1.67 4.78 0.40 1.68 3.52 -1.26 0.26 118.95 126.66 3df3 s ARG 30 Ca 0.22 1.41 0.07 0.00 -0.13 0.00 0.00 55.73 57.30 3df3 s ARG 30 Cb -0.12 -3.24 -0.08 0.00 -1.56 0.00 0.00 34.95 29.95 3df3 s ARG 30 CO 0.13 0.51 0.01 0.20 -0.81 0.00 0.00 175.30 175.34 3df3 s GLY 31 N -1.21 2.46 -0.02 8.12 0.00 0.76 -1.52 107.32 115.92 3df3 s GLY 31 Ca 0.41 -2.28 0.11 0.00 0.00 0.00 0.00 44.72 42.96 3df3 s GLY 31 CO 0.30 -2.07 0.24 -0.62 0.00 0.00 0.00 173.10 170.95 3df3 n VAL 32 N -0.94 0.03 -2.30 1.40 0.31 -1.18 -2.41 118.33 113.25 3df3 n VAL 32 Ca -0.05 -0.27 -0.03 0.00 -0.01 0.00 0.00 64.34 63.99 3df3 n VAL 32 Cb 0.67 0.20 -0.02 0.00 -0.91 0.00 0.00 33.84 33.78 3df3 n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df3 n THR 34 N 1.53 0.10 -3.50 0.00 -2.24 0.30 -4.28 114.28 106.18 3df3 n THR 34 Ca -0.18 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 3df3 n THR 34 Cb 0.28 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 3df3 n THR 34 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3df3 s ARG 35 N -3.47 1.07 -0.51 -0.78 6.06 -0.35 -4.95 118.95 116.02 3df3 s ARG 35 Ca -0.07 0.10 0.00 0.00 -2.50 0.00 0.00 55.73 53.26 3df3 s ARG 35 Cb 0.13 0.50 0.13 0.00 0.06 0.00 0.00 34.95 35.78 3df3 s ARG 35 CO 0.90 -0.37 0.29 0.14 -2.50 0.00 0.00 175.30 173.76 3df3 s VAL 36 N -1.71 3.11 0.25 7.11 -7.23 -1.26 0.94 120.40 121.61 3df3 s VAL 36 Ca -0.08 -2.81 -0.04 0.00 -1.81 0.00 0.00 61.98 57.24 3df3 s VAL 36 Cb -0.00 -3.11 0.06 0.00 0.56 0.00 0.00 36.38 33.89 3df3 s VAL 36 CO 0.05 -0.78 0.19 -1.22 -0.31 0.00 0.00 175.10 173.03 3df3 n TYR 37 N 3.69 -2.86 -0.65 2.82 4.01 0.16 -4.87 117.16 119.46 3df3 n TYR 37 Ca 0.05 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3df3 n TYR 37 Cb 0.37 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3df3 n TYR 37 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3df3 n THR 38 N -3.18 0.00 -0.89 -0.72 -2.24 -1.25 -3.46 114.28 102.54 3df3 n THR 38 Ca 0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 3df3 n THR 38 Cb 0.11 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.43 3df3 n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3df3 n THR 39 N 0.00 0.00 -3.14 4.28 -2.24 -1.25 -4.35 114.28 107.57 3df3 n THR 39 Ca 0.00 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.13 3df3 n THR 39 Cb 0.06 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 3df3 n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3df3 s THR 40 N -2.21 4.68 0.88 4.28 -4.23 -1.26 -3.66 115.64 114.12 3df3 s THR 40 Ca 0.49 0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 61.79 3df3 s THR 40 Cb -0.19 -3.61 0.23 0.00 1.34 0.00 0.00 72.50 70.26 3df3 s THR 40 CO 0.74 -0.17 0.61 -0.81 -0.54 0.00 0.00 174.62 174.45 3df3 n PRO 41 N -0.34 -3.29 0.00 3.99 -0.04 -1.26 -4.93 135.00 129.13 3df3 n PRO 41 Ca 0.03 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 3df3 n PRO 41 Cb 0.53 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 3df3 n PRO 41 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3df3 n LYS 42 N -4.14 1.97 0.04 0.54 4.76 -0.09 -4.91 118.16 116.33 3df3 n LYS 42 Ca 0.09 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.34 3df3 n LYS 42 Cb 0.38 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.43 3df3 n LYS 42 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 3df3 h LYS 43 N 0.00 0.33 -0.27 1.97 5.09 -1.97 -3.38 116.57 118.33 3df3 h LYS 43 Ca 0.00 -0.50 -0.10 0.00 0.09 0.00 0.00 60.65 60.15 3df3 h LYS 43 Cb 0.00 0.18 -0.01 0.00 0.10 0.00 0.00 32.23 32.50 3df3 h LYS 43 CO 0.00 1.21 -0.22 -1.00 -2.09 0.00 0.00 179.45 177.36 3df3 h PRO 44 N -0.31 0.62 -7.07 0.07 0.13 -2.00 -3.46 132.00 119.99 3df3 h PRO 44 Ca -0.13 -0.31 -0.47 0.00 -0.87 0.00 0.00 66.00 64.22 3df3 h PRO 44 Cb 1.57 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.78 3df3 h PRO 44 CO 0.14 0.90 0.09 -0.80 -0.23 0.00 0.00 178.00 178.11 3df3 s ASN 45 N -6.40 4.34 -0.29 1.44 0.02 -1.26 -5.13 114.94 107.66 3df3 s ASN 45 Ca -0.13 -0.49 -0.15 0.00 -1.02 0.00 0.00 52.86 51.07 3df3 s ASN 45 Cb 0.08 0.15 0.12 0.00 0.02 0.00 0.00 41.25 41.61 3df3 s ASN 45 CO 0.81 -1.88 0.81 -0.55 0.02 0.00 0.00 177.10 176.31 3df3 s SER 46 N -4.77 -0.80 0.00 -1.22 0.15 -1.26 -4.59 113.70 101.22 3df3 s SER 46 Ca 0.67 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.55 3df3 s SER 46 Cb -0.05 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 3df3 s SER 46 CO 0.44 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.69 3df3 n ALA 47 N 4.33 0.00 -2.90 5.45 0.00 -1.26 -5.00 120.51 121.13 3df3 n ALA 47 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 3df3 n ALA 47 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.04 3df3 n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3df3 n LEU 48 N 0.00 0.00 -4.61 0.00 4.77 -1.26 -4.55 117.00 111.35 3df3 n LEU 48 Ca 0.00 -4.23 -0.52 0.00 -0.03 0.00 0.00 56.01 51.23 3df3 n LEU 48 Cb 0.00 0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3df3 n LEU 48 CO 0.00 2.01 0.98 0.54 -1.33 0.00 0.00 177.39 179.59 3df3 n ARG 49 N 0.10 1.25 -2.84 3.23 3.00 -1.24 -4.87 116.66 115.29 3df3 n ARG 49 Ca 0.14 0.45 -0.43 0.00 -0.01 0.00 0.00 57.85 58.00 3df3 n ARG 49 Cb 0.73 -2.11 -0.04 0.00 0.00 0.00 0.00 32.46 31.04 3df3 n ARG 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3df3 s LYS 50 N 0.87 3.13 0.37 5.56 1.02 -1.26 -3.90 119.74 125.54 3df3 s LYS 50 Ca 0.85 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 56.16 3df3 s LYS 50 Cb -0.94 -4.21 0.06 0.00 -0.52 0.00 0.00 37.83 32.22 3df3 s LYS 50 CO 0.48 -1.81 0.47 0.28 -0.92 0.00 0.00 175.35 173.85 3df3 n VAL 51 N 5.98 0.00 -3.49 3.17 0.31 -1.22 -0.98 118.33 122.10 3df3 n VAL 51 Ca -0.03 -1.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.01 3df3 n VAL 51 Cb 0.46 -0.58 -0.05 0.00 -0.91 0.00 0.00 33.84 32.76 3df3 n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3df3 s ARG 53 N 1.92 4.50 0.37 0.00 3.52 0.27 -1.81 118.95 127.72 3df3 s ARG 53 Ca -0.05 1.63 0.08 0.00 -0.13 0.00 0.00 55.73 57.26 3df3 s ARG 53 Cb -0.04 -3.39 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 3df3 s ARG 53 CO -0.16 -0.15 0.01 0.08 -0.81 0.00 0.00 175.30 174.27 3df3 s VAL 54 N 0.95 2.35 -0.60 7.11 1.01 0.73 0.11 120.40 132.05 3df3 s VAL 54 Ca 0.55 -1.99 0.04 0.00 0.00 0.00 0.00 61.98 60.58 3df3 s VAL 54 Cb -0.26 -2.84 0.16 0.00 0.00 0.00 0.00 36.38 33.45 3df3 s VAL 54 CO 0.29 -0.13 0.42 -0.60 0.00 0.00 0.00 175.10 175.08 3df3 s ARG 55 N -3.72 1.98 0.85 2.72 3.52 -1.26 -2.26 118.95 120.78 3df3 s ARG 55 Ca 0.35 -2.90 -0.15 0.00 -0.13 0.00 0.00 55.73 52.90 3df3 s ARG 55 Cb 0.03 -2.87 -0.06 0.00 -1.56 0.00 0.00 34.95 30.49 3df3 s ARG 55 CO 0.19 -1.28 0.05 1.28 -0.81 0.00 0.00 175.30 174.73 3df3 n LEU 56 N 2.39 -1.87 -0.19 -0.88 4.77 -1.23 -3.08 117.00 116.92 3df3 n LEU 56 Ca 0.20 0.40 -0.04 0.00 -0.03 0.00 0.00 56.01 56.54 3df3 n LEU 56 Cb 0.38 -1.05 0.06 0.00 -2.33 0.00 0.00 43.42 40.47 3df3 n LEU 56 CO 0.23 -4.27 1.06 0.71 -1.33 0.00 0.00 177.39 173.80 3df3 h THR 57 N -0.89 1.01 0.00 -5.08 1.35 -1.63 -0.23 112.91 107.43 3df3 h THR 57 Ca -0.44 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3df3 h THR 57 Cb 1.32 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3df3 h THR 57 CO 0.34 0.11 0.00 -0.46 -0.25 0.00 0.00 175.52 175.27 3df3 n ASN 58 N -4.81 0.00 -0.91 5.36 0.23 -1.26 -4.87 115.26 109.00 3df3 n ASN 58 Ca 0.05 0.39 0.00 0.00 -0.53 0.00 0.00 54.58 54.50 3df3 n ASN 58 Cb 0.12 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 3df3 n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3df3 n GLY 59 N -0.25 0.80 2.62 4.83 0.00 -0.10 -5.08 105.19 108.00 3df3 n GLY 59 Ca 0.04 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3df3 n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df3 s PHE 60 N -2.60 1.37 -0.93 1.61 0.40 -1.25 -4.94 117.98 111.63 3df3 s PHE 60 Ca 0.00 -1.90 -0.26 0.00 -0.60 0.00 0.00 56.93 54.17 3df3 s PHE 60 Cb 0.00 -1.45 -0.24 0.00 0.51 0.00 0.00 43.02 41.84 3df3 s PHE 60 CO 0.00 -0.82 2.00 0.39 0.70 0.00 0.00 175.22 177.49 3df3 n GLU 61 N 4.10 0.08 -1.77 0.44 -0.58 -1.26 -3.53 120.64 118.12 3df3 n GLU 61 Ca 0.07 -1.55 -0.06 0.00 -0.42 0.00 0.00 57.16 55.20 3df3 n GLU 61 Cb 0.37 -3.66 0.02 0.00 -0.57 0.00 0.00 31.44 27.60 3df3 n GLU 61 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3df3 n VAL 62 N 8.67 0.00 -4.22 2.62 0.24 -0.96 -4.87 118.33 119.81 3df3 n VAL 62 Ca 0.39 -0.61 -0.20 0.00 -2.04 0.00 0.00 64.34 61.88 3df3 n VAL 62 Cb 0.47 -0.72 -0.12 0.00 -1.47 0.00 0.00 33.84 32.00 3df3 n VAL 62 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3df3 s THR 63 N -0.29 1.34 0.00 3.34 2.01 -1.26 -0.19 115.64 120.58 3df3 s THR 63 Ca 0.16 -1.47 -0.03 0.00 0.31 0.00 0.00 61.69 60.66 3df3 s THR 63 Cb -0.01 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 3df3 s THR 63 CO 0.10 -0.22 0.04 -0.94 -0.69 0.00 0.00 174.62 172.91 3df3 s SER 64 N -1.96 0.09 0.10 3.53 1.04 -0.75 -3.47 113.70 112.29 3df3 s SER 64 Ca 0.03 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.11 3df3 s SER 64 Cb -0.09 0.14 -0.06 0.00 0.10 0.00 0.00 66.02 66.11 3df3 s SER 64 CO 0.03 -0.23 0.47 -0.47 0.98 0.00 0.00 173.24 174.02 3df3 s TYR 65 N -0.97 3.61 -0.92 5.02 5.04 -1.08 -1.64 117.35 126.41 3df3 s TYR 65 Ca -0.11 0.93 -0.13 0.00 -2.44 0.00 0.00 57.07 55.32 3df3 s TYR 65 Cb -0.06 -2.26 0.23 0.00 0.35 0.00 0.00 41.96 40.21 3df3 s TYR 65 CO 0.00 0.49 0.90 0.42 -1.34 0.00 0.00 175.55 176.02 3df3 s ILE 66 N -1.40 5.65 1.00 3.14 1.09 -0.15 -1.71 121.20 128.82 3df3 s ILE 66 Ca 0.34 -2.68 -0.13 0.00 -1.10 0.00 0.00 60.65 57.08 3df3 s ILE 66 Cb -0.15 -4.54 0.10 0.00 -1.06 0.00 0.00 42.46 36.82 3df3 s ILE 66 CO 0.18 -1.12 0.58 0.61 -0.10 0.00 0.00 174.94 175.10 3df3 n GLY 67 N 3.72 -1.70 0.54 6.18 0.00 -1.26 -4.75 105.19 107.92 3df3 n GLY 67 Ca 0.18 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.47 3df3 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df3 n GLY 68 N 1.24 -2.46 3.66 -0.02 0.00 -1.26 -4.79 105.19 101.56 3df3 n GLY 68 Ca 0.07 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 3df3 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df3 s GLU 69 N -2.83 4.26 0.39 1.61 8.01 -1.26 -4.87 118.70 124.01 3df3 s GLU 69 Ca 0.00 1.28 0.00 0.00 0.01 0.00 0.00 54.97 56.26 3df3 s GLU 69 Cb 0.00 -3.63 0.00 0.00 -4.31 0.00 0.00 34.13 26.19 3df3 s GLU 69 CO 0.00 -0.58 0.00 0.41 0.01 0.00 0.00 175.26 175.10 3df3 n GLY 70 N 3.38 -3.32 0.00 -1.39 0.00 -1.26 -4.78 105.19 97.83 3df3 n GLY 70 Ca 0.11 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3df3 n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3df3 n HIS 71 N -2.98 0.00 -0.61 1.61 1.44 -1.26 -4.85 115.22 108.56 3df3 n HIS 71 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3df3 n HIS 71 Cb 0.39 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.50 3df3 n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3df3 n ASN 72 N 0.00 0.00 -4.66 4.39 6.94 -1.26 -5.01 115.26 115.66 3df3 n ASN 72 Ca 0.00 -0.14 -0.52 0.00 -0.02 0.00 0.00 54.58 53.90 3df3 n ASN 72 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 3df3 n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3df3 n LEU 73 N 0.00 2.51 0.00 -4.53 4.77 -1.26 -4.96 117.00 113.53 3df3 n LEU 73 Ca 0.00 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 3df3 n LEU 73 Cb 0.03 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3df3 n LEU 73 CO 0.00 -0.52 0.00 0.00 -1.33 0.00 0.00 177.39 175.54 3df3 n GLN 74 N 4.32 0.00 0.00 3.23 1.13 -1.26 -5.02 117.38 119.78 3df3 n GLN 74 Ca 0.21 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3df3 n GLN 74 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.56 3df3 n GLN 74 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3df3 n GLU 75 N 0.00 0.00 -0.76 -1.09 2.13 -1.26 -4.71 120.64 114.95 3df3 n GLU 75 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 3df3 n GLU 75 Cb 0.00 -0.50 0.31 0.00 0.27 0.00 0.00 31.44 31.52 3df3 n GLU 75 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3df3 n HIS 76 N -2.66 1.69 -2.16 4.31 8.25 -1.26 -4.24 115.22 119.15 3df3 n HIS 76 Ca 0.00 -0.97 -0.41 0.00 -0.26 0.00 0.00 57.72 56.08 3df3 n HIS 76 Cb 0.35 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 3df3 n HIS 76 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3df3 s SER 77 N -1.40 6.83 -0.23 0.41 1.04 -1.24 -4.91 113.70 114.19 3df3 s SER 77 Ca 0.50 2.45 -0.22 0.00 0.48 0.00 0.00 55.95 59.16 3df3 s SER 77 Cb 0.40 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 3df3 s SER 77 CO 0.12 -0.58 0.69 -0.69 0.98 0.00 0.00 173.24 173.75 3df3 s VAL 78 N 0.20 4.96 0.15 5.02 1.01 -1.26 -3.66 120.40 126.81 3df3 s VAL 78 Ca 0.58 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.85 3df3 s VAL 78 Cb -0.38 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 3df3 s VAL 78 CO 0.38 0.03 0.02 2.30 0.00 0.00 0.00 175.10 177.83 3df3 n ILE 79 N 5.02 0.00 -4.23 2.22 -5.35 -1.01 -1.58 119.36 114.43 3df3 n ILE 79 Ca 0.01 -0.74 -0.17 0.00 -0.27 0.00 0.00 62.75 61.58 3df3 n ILE 79 Cb 0.49 0.19 -0.13 0.00 -1.74 0.00 0.00 39.64 38.45 3df3 n ILE 79 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3df3 s LEU 80 N 0.00 2.14 -0.07 7.28 2.96 -1.26 -0.17 118.68 129.56 3df3 s LEU 80 Ca 0.02 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 3df3 s LEU 80 Cb 0.00 -0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 3df3 s LEU 80 CO 0.02 -0.02 0.26 -0.63 -1.32 0.00 0.00 176.35 174.66 3df3 s ILE 81 N -0.76 5.29 0.00 6.68 -1.09 0.14 -2.00 121.20 129.46 3df3 s ILE 81 Ca -0.01 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.91 3df3 s ILE 81 Cb -0.07 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3df3 s ILE 81 CO 0.00 0.58 0.00 -1.14 -1.23 0.00 0.00 174.94 173.16 3df3 n ARG 82 N 2.04 0.00 0.00 2.79 0.63 0.38 -3.11 116.66 119.38 3df3 n ARG 82 Ca -0.17 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 3df3 n ARG 82 Cb 0.54 -0.21 0.00 0.00 0.45 0.00 0.00 32.46 33.24 3df3 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3df3 n GLY 83 N 2.19 0.00 2.89 5.14 0.00 -1.26 -4.39 105.19 109.76 3df3 n GLY 83 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3df3 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3df3 s GLY 84 N 0.00 0.40 0.87 -0.02 0.00 -1.19 -4.88 107.32 102.50 3df3 s GLY 84 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 44.72 44.58 3df3 s GLY 84 CO 0.00 0.42 1.21 1.09 0.00 0.00 0.00 173.10 175.83 3df3 s ARG 85 N 0.86 1.22 -0.07 2.90 1.70 -0.63 -3.18 118.95 121.75 3df3 s ARG 85 Ca -0.11 -0.39 0.01 0.00 -0.47 0.00 0.00 55.73 54.77 3df3 s ARG 85 Cb -0.14 -1.97 0.02 0.00 -0.57 0.00 0.00 34.95 32.29 3df3 s ARG 85 CO -0.00 -1.99 -0.09 0.08 -1.08 0.00 0.00 175.30 172.22 3df3 s VAL 86 N -3.65 0.91 0.27 4.99 1.01 -0.88 -4.95 120.40 118.10 3df3 s VAL 86 Ca 0.69 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.46 3df3 s VAL 86 Cb -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3df3 s VAL 86 CO 0.50 0.32 1.61 0.50 0.00 0.00 0.00 175.10 178.02 3df3 h LYS 87 N 7.32 0.00 0.00 2.72 3.64 -1.99 -3.25 116.57 125.02 3df3 h LYS 87 Ca -0.32 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.84 3df3 h LYS 87 Cb 1.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 3df3 h LYS 87 CO 0.45 0.62 -1.26 -0.44 -2.27 0.00 0.00 179.45 176.55 3df3 h ASP 88 N 0.00 0.00 -3.58 4.20 3.45 -1.97 -3.44 116.42 115.09 3df3 h ASP 88 Ca -0.01 0.00 -0.71 0.00 0.43 0.00 0.00 57.03 56.74 3df3 h ASP 88 Cb 1.11 0.00 -0.25 0.00 -0.56 0.00 0.00 39.33 39.63 3df3 h ASP 88 CO 0.08 0.89 -0.51 -0.76 -1.57 0.00 0.00 179.24 177.37 3df3 s LEU 89 N -6.33 4.76 0.62 1.55 2.01 -1.23 -0.91 118.68 119.15 3df3 s LEU 89 Ca -0.01 -1.02 -0.17 0.00 0.01 0.00 0.00 54.13 52.93 3df3 s LEU 89 Cb 0.09 -2.03 -0.02 0.00 0.01 0.00 0.00 46.19 44.24 3df3 s LEU 89 CO 0.81 -0.40 1.16 -2.16 1.01 0.00 0.00 176.35 176.77 3df3 s PRO 90 N 1.55 2.92 0.00 1.29 0.04 -1.26 -3.24 135.00 136.30 3df3 s PRO 90 Ca 0.02 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3df3 s PRO 90 Cb -0.19 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3df3 s PRO 90 CO 0.07 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.32 3df3 n GLY 91 N 0.10 1.22 3.55 0.56 0.00 -1.26 -4.88 105.19 104.48 3df3 n GLY 91 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3df3 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df3 s VAL 92 N 0.00 3.12 -0.31 1.61 1.01 -1.20 -4.65 120.40 119.97 3df3 s VAL 92 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3df3 s VAL 92 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 3df3 s VAL 92 CO 0.00 -0.28 0.32 0.54 0.00 0.00 0.00 175.10 175.68 3df3 n ARG 93 N 8.98 3.40 -4.21 2.72 1.74 -1.26 -2.07 116.66 125.95 3df3 n ARG 93 Ca 0.37 -0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 57.21 3df3 n ARG 93 Cb 0.50 -0.96 -0.06 0.00 -1.02 0.00 0.00 32.46 30.92 3df3 n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3df3 s TYR 94 N -1.96 2.87 0.11 -1.55 2.02 -1.22 -1.60 117.35 116.02 3df3 s TYR 94 Ca 0.02 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.60 3df3 s TYR 94 Cb 0.06 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.29 3df3 s TYR 94 CO 0.35 0.57 -0.17 -1.01 -1.57 0.00 0.00 175.55 173.72 3df3 s HIS 95 N -2.25 1.52 0.41 2.71 3.76 -1.19 -2.64 115.29 117.61 3df3 s HIS 95 Ca 0.32 -0.48 -0.10 0.00 -0.15 0.00 0.00 55.06 54.66 3df3 s HIS 95 Cb -0.07 -0.81 -0.06 0.00 1.11 0.00 0.00 32.58 32.75 3df3 s HIS 95 CO 0.22 0.16 0.77 0.99 -0.85 0.00 0.00 174.74 176.03 3df3 s THR 96 N -1.60 4.81 -0.71 1.30 2.01 -0.69 0.14 115.64 120.89 3df3 s THR 96 Ca 0.06 0.56 -0.14 0.00 0.31 0.00 0.00 61.69 62.48 3df3 s THR 96 Cb -0.08 -3.75 0.18 0.00 0.01 0.00 0.00 72.50 68.87 3df3 s THR 96 CO 0.04 -0.56 0.65 -0.69 -0.69 0.00 0.00 174.62 173.37 3df3 s VAL 97 N -2.41 5.31 -0.17 3.82 1.01 -0.85 -4.74 120.40 122.37 3df3 s VAL 97 Ca 0.51 -2.17 -0.33 0.00 0.00 0.00 0.00 61.98 59.98 3df3 s VAL 97 Cb -0.10 -4.33 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 3df3 s VAL 97 CO 0.33 -0.96 2.04 0.54 0.00 0.00 0.00 175.10 177.05 3df3 n ARG 98 N 4.37 1.95 0.00 2.72 5.12 -1.26 -1.86 116.66 127.69 3df3 n ARG 98 Ca 0.04 0.65 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 3df3 n ARG 98 Cb 0.44 -2.78 0.00 0.00 -1.16 0.00 0.00 32.46 28.96 3df3 n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df3 n GLY 99 N 5.20 2.51 3.77 -0.13 0.00 0.21 -1.43 105.19 115.32 3df3 n GLY 99 Ca 0.28 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 3df3 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df3 s ALA 100 N -0.54 2.47 0.00 4.61 0.00 -0.78 -4.66 121.76 122.86 3df3 s ALA 100 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3df3 s ALA 100 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3df3 s ALA 100 CO 0.00 -1.30 0.00 1.28 0.00 0.00 0.00 175.76 175.74 3df3 n LEU 101 N -2.53 0.00 -0.07 0.00 4.77 -1.26 -2.39 117.00 115.52 3df3 n LEU 101 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3df3 n LEU 101 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3df3 n LEU 101 CO 0.48 0.00 0.09 0.44 -1.33 0.00 0.00 177.39 177.08 3df3 h ASP 102 N 0.00 0.00 -1.30 -1.43 3.45 -1.60 -3.46 116.42 112.08 3df3 h ASP 102 Ca 0.00 -0.55 -0.77 0.00 0.43 0.00 0.00 57.03 56.14 3df3 h ASP 102 Cb 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.80 3df3 h ASP 102 CO 0.00 0.89 0.48 0.00 -1.57 0.00 0.00 179.24 179.04 3df3 n SER 104 N 3.15 0.00 -4.55 0.00 3.41 -1.26 -1.22 113.62 113.15 3df3 n SER 104 Ca 0.23 -0.91 -0.27 0.00 -0.26 0.00 0.00 58.87 57.67 3df3 n SER 104 Cb 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 3df3 n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3df3 s GLY 105 N -2.49 1.73 0.19 5.00 0.00 -1.25 0.64 107.32 111.14 3df3 s GLY 105 Ca 0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 44.72 42.89 3df3 s GLY 105 CO 0.00 -1.53 1.20 -0.62 0.00 0.00 0.00 173.10 172.15 3df3 n VAL 106 N 0.04 0.95 -2.78 1.40 0.31 -0.79 -4.93 118.33 112.52 3df3 n VAL 106 Ca -0.11 -0.24 -0.37 0.00 -0.01 0.00 0.00 64.34 63.62 3df3 n VAL 106 Cb 0.56 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 32.45 3df3 n VAL 106 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3df3 s LYS 107 N -0.43 4.55 -1.51 5.55 0.00 -1.26 -3.90 119.74 122.74 3df3 s LYS 107 Ca 0.72 1.31 -0.10 0.00 0.00 0.00 0.00 55.97 57.90 3df3 s LYS 107 Cb -0.81 -2.75 0.07 0.00 0.00 0.00 0.00 37.83 34.35 3df3 s LYS 107 CO 0.52 0.25 0.78 -0.25 0.00 0.00 0.00 175.35 176.65 3df3 n ASP 108 N 0.46 -2.96 -4.64 0.03 10.43 -1.26 -4.94 116.55 113.67 3df3 n ASP 108 Ca 0.02 -0.89 -0.38 0.00 2.57 0.00 0.00 54.79 56.11 3df3 n ASP 108 Cb 0.50 -3.48 -0.08 0.00 1.84 0.00 0.00 41.12 39.90 3df3 n ASP 108 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3df3 s ARG 109 N -6.58 4.09 0.00 -1.24 6.06 -1.25 -4.99 118.95 115.04 3df3 s ARG 109 Ca 0.44 0.10 0.00 0.00 -2.50 0.00 0.00 55.73 53.78 3df3 s ARG 109 Cb -0.23 -3.59 0.00 0.00 0.06 0.00 0.00 34.95 31.19 3df3 s ARG 109 CO 0.86 -0.15 0.00 1.63 -2.50 0.00 0.00 175.30 175.15 3df3 n LYS 110 N 4.87 0.00 -1.64 5.12 4.76 -1.26 -4.80 118.16 125.21 3df3 n LYS 110 Ca -0.09 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.90 3df3 n LYS 110 Cb 0.51 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.68 3df3 n LYS 110 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3df3 n GLN 111 N -0.31 1.74 -3.39 1.97 6.02 -1.26 -2.27 117.38 119.88 3df3 n GLN 111 Ca 0.00 0.62 -0.20 0.00 -0.01 0.00 0.00 57.00 57.40 3df3 n GLN 111 Cb 0.00 -2.16 0.06 0.00 1.02 0.00 0.00 30.24 29.16 3df3 n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3df3 n ALA 112 N 1.07 -2.52 0.09 -1.58 0.00 -1.26 -4.94 120.51 111.38 3df3 n ALA 112 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 3df3 n ALA 112 Cb 0.31 -5.05 -0.14 0.00 0.00 0.00 0.00 19.45 14.58 3df3 n ALA 112 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3df3 h ARG 113 N -1.28 0.53 -0.50 0.00 2.43 -1.77 -3.35 114.38 110.44 3df3 h ARG 113 Ca -0.60 -0.77 0.05 0.00 -0.81 0.00 0.00 59.98 57.84 3df3 h ARG 113 Cb 1.32 0.27 -0.07 0.00 -0.42 0.00 0.00 29.97 31.06 3df3 h ARG 113 CO 0.45 1.35 -0.43 1.03 -1.51 0.00 0.00 179.97 180.86 3df3 h SER 114 N 0.09 -1.49 -4.14 -3.80 0.87 -1.88 -2.82 113.55 100.38 3df3 h SER 114 Ca -0.19 0.21 -0.54 0.00 -1.23 0.00 0.00 61.79 60.04 3df3 h SER 114 Cb 1.88 0.63 0.15 0.00 -0.44 0.00 0.00 62.40 64.62 3df3 h SER 114 CO 0.22 -0.24 0.45 -0.54 -0.53 0.00 0.00 176.83 176.19 3df3 s LYS 115 N -4.91 2.43 -1.00 2.24 1.02 -1.26 -2.13 119.74 116.14 3df3 s LYS 115 Ca -0.10 1.87 0.00 0.00 0.02 0.00 0.00 55.97 57.76 3df3 s LYS 115 Cb 0.07 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 3df3 s LYS 115 CO 0.46 -1.64 0.00 0.66 -0.92 0.00 0.00 175.35 173.90 3df3 n TYR 116 N -2.25 -0.05 -2.54 3.18 4.02 -1.26 -4.42 117.16 113.85 3df3 n TYR 116 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 3df3 n TYR 116 Cb 0.49 -1.92 0.00 0.00 -0.02 0.00 0.00 39.34 37.90 3df3 n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3df3 n GLY 117 N -1.73 0.00 3.02 2.72 0.00 -0.52 -1.89 105.19 106.79 3df3 n GLY 117 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3df3 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df3 s VAL 118 N -0.45 -0.51 0.69 1.61 1.01 -1.06 -3.96 120.40 117.73 3df3 s VAL 118 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 3df3 s VAL 118 Cb 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.78 3df3 s VAL 118 CO 0.00 0.01 1.11 -0.54 0.00 0.00 0.00 175.10 175.68 3df3 s LYS 119 N 2.49 2.61 0.36 2.72 -0.14 -1.26 -4.39 119.74 122.12 3df3 s LYS 119 Ca 0.04 1.36 -0.28 0.00 -1.36 0.00 0.00 55.97 55.73 3df3 s LYS 119 Cb -0.13 -1.93 -0.12 0.00 -1.68 0.00 0.00 37.83 33.97 3df3 s LYS 119 CO -0.12 -1.40 1.37 -2.13 -0.76 0.00 0.00 175.35 172.32 3df3 n ARG 120 N -2.71 2.34 0.00 1.68 0.63 -1.26 -4.98 116.66 112.36 3df3 n ARG 120 Ca 0.10 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 3df3 n ARG 120 Cb 0.52 -2.46 0.00 0.00 0.45 0.00 0.00 32.46 30.97 3df3 n ARG 120 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3df3 n PRO 121 N 0.52 0.00 0.06 -0.14 -0.04 -1.26 -5.05 135.00 129.09 3df3 n PRO 121 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3df3 n PRO 121 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 3df3 n PRO 121 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3df3 n LYS 122 N 0.00 0.00 0.00 0.54 -0.00 -1.26 -5.30 118.16 112.14 3df3 n LYS 122 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 3df3 n LYS 122 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 3df3 n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40