#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s LYS 2 N 0.00 4.16 -0.01 4.33 -0.14 -1.26 -4.98 119.74 121.84 3i56 s LYS 2 Ca 0.00 1.55 0.16 0.00 -1.36 0.00 0.00 55.97 56.33 3i56 s LYS 2 Cb 0.00 -2.57 -0.23 0.00 -1.68 0.00 0.00 37.83 33.35 3i56 s LYS 2 CO 0.00 -0.15 0.48 -2.37 -0.76 0.00 0.00 175.35 172.55 3i56 n THR 3 N -0.03 0.00 -2.49 2.17 5.66 -1.26 -4.94 114.28 113.39 3i56 n THR 3 Ca 0.05 -0.29 -0.43 0.00 -3.05 0.00 0.00 64.05 60.34 3i56 n THR 3 Cb 0.49 0.44 -0.02 0.00 -1.55 0.00 0.00 70.33 69.69 3i56 n THR 3 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3i56 s ASN 4 N -3.41 7.03 0.37 1.09 3.84 -1.26 -4.93 114.94 117.67 3i56 s ASN 4 Ca -0.02 1.67 0.17 0.00 0.21 0.00 0.00 52.86 54.90 3i56 s ASN 4 Cb 0.11 -2.55 0.70 0.00 -0.55 0.00 0.00 41.25 38.97 3i56 s ASN 4 CO 0.68 -0.66 1.76 -0.65 -2.79 0.00 0.00 177.10 175.44 3i56 h PRO 5 N 7.74 0.00 -0.09 0.43 0.11 -1.99 -2.69 132.00 135.51 3i56 h PRO 5 Ca -0.28 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.58 3i56 h PRO 5 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3i56 h PRO 5 CO 0.93 0.39 -0.89 0.00 -0.21 0.00 0.00 178.00 178.22 3i56 h ARG 6 N 0.00 0.76 -0.11 1.05 3.08 -1.99 -2.51 114.38 114.66 3i56 h ARG 6 Ca -0.00 -0.70 -0.08 0.00 0.07 0.00 0.00 59.98 59.27 3i56 h ARG 6 Cb 0.83 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3i56 h ARG 6 CO 0.05 1.29 -0.24 1.25 -1.07 0.00 0.00 179.97 181.25 3i56 h LEU 7 N 0.48 0.40 -2.13 3.04 5.85 -1.97 -1.22 115.31 119.77 3i56 h LEU 7 Ca -0.09 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 3i56 h LEU 7 Cb 1.53 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 3i56 h LEU 7 CO 0.18 0.90 -0.07 0.77 -0.34 0.00 0.00 178.44 179.87 3i56 h SER 8 N -0.08 0.00 0.21 1.25 4.64 -1.56 -0.56 113.55 117.46 3i56 h SER 8 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3i56 h SER 8 Cb 0.84 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.95 3i56 h SER 8 CO 0.05 0.07 -1.51 -1.28 -0.87 0.00 0.00 176.83 173.30 3i56 h SER 9 N 0.00 0.71 -0.57 4.97 0.87 -1.34 -3.02 113.55 115.16 3i56 h SER 9 Ca -0.00 -0.93 -0.04 0.00 -1.23 0.00 0.00 61.79 59.60 3i56 h SER 9 Cb 0.20 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3i56 h SER 9 CO 0.01 1.71 0.23 0.25 -0.53 0.00 0.00 176.83 178.50 3i56 h LEU 10 N 0.05 0.81 -0.61 2.23 5.85 -0.23 -1.24 115.31 122.17 3i56 h LEU 10 Ca -0.28 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.20 3i56 h LEU 10 Cb 2.07 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 3i56 h LEU 10 CO 0.22 0.74 -0.24 0.40 -0.34 0.00 0.00 178.44 179.21 3i56 h ILE 11 N 0.87 1.27 -0.41 4.05 2.04 -1.24 -0.45 117.51 123.65 3i56 h ILE 11 Ca 0.21 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.61 3i56 h ILE 11 Cb 0.19 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3i56 h ILE 11 CO -0.02 0.46 -0.05 0.00 0.00 0.00 0.00 178.15 178.55 3i56 h ALA 12 N 1.00 1.15 -0.21 1.87 0.00 -1.28 -1.93 119.26 119.86 3i56 h ALA 12 Ca 0.09 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 3i56 h ALA 12 Cb 0.78 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i56 h ALA 12 CO 0.06 0.54 -0.70 -0.44 0.00 0.00 0.00 179.25 178.72 3i56 h ASP 13 N 0.64 0.96 0.10 0.00 3.32 -0.92 -1.77 116.42 118.75 3i56 h ASP 13 Ca 0.12 -0.59 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 3i56 h ASP 13 Cb 0.47 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3i56 h ASP 13 CO 0.02 1.39 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.73 3i56 h LEU 14 N 0.59 0.08 0.04 1.55 3.38 -0.82 -2.10 115.31 118.04 3i56 h LEU 14 Ca -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i56 h LEU 14 Cb 1.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3i56 h LEU 14 CO 0.15 0.23 -0.02 0.11 0.09 0.00 0.00 178.44 179.00 3i56 h LYS 15 N 0.09 -0.05 0.00 1.13 1.57 -1.22 -2.80 116.57 115.29 3i56 h LYS 15 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3i56 h LYS 15 Cb 0.30 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3i56 h LYS 15 CO 0.02 0.61 0.00 1.03 -0.57 0.00 0.00 179.45 180.54 3i56 h SER 16 N -0.79 0.00 0.13 0.86 0.87 -1.10 -0.78 113.55 112.74 3i56 h SER 16 Ca -0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 3i56 h SER 16 Cb 0.68 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 3i56 h SER 16 CO 0.01 0.00 -1.78 0.00 -0.53 0.00 0.00 176.83 174.53 3i56 h ALA 17 N 2.01 0.30 0.00 6.23 0.00 -1.42 -3.16 119.26 123.23 3i56 h ALA 17 Ca 0.00 -1.26 -0.08 0.00 0.00 0.00 0.00 54.91 53.57 3i56 h ALA 17 Cb 0.03 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3i56 h ALA 17 CO 0.00 1.11 -0.39 0.00 0.00 0.00 0.00 179.25 179.97 3i56 h ALA 18 N 0.02 1.10 0.13 0.00 0.00 -0.91 -0.92 119.26 118.68 3i56 h ALA 18 Ca -0.38 -0.35 -0.33 0.00 0.00 0.00 0.00 54.91 53.86 3i56 h ALA 18 Cb 1.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3i56 h ALA 18 CO 0.08 0.48 -1.67 0.00 0.00 0.00 0.00 179.25 178.14 3i56 h ARG 19 N 0.00 0.27 0.00 0.00 3.08 -1.40 -3.40 114.38 112.92 3i56 h ARG 19 Ca -0.00 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3i56 h ARG 19 Cb 0.82 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3i56 h ARG 19 CO 0.05 1.13 -0.05 0.77 -1.07 0.00 0.00 179.97 180.80 3i56 h SER 20 N 0.07 0.00 -4.40 7.04 0.02 -1.54 -3.48 113.55 111.27 3i56 h SER 20 Ca -0.30 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.18 3i56 h SER 20 Cb 2.04 0.00 0.11 0.00 0.14 0.00 0.00 62.40 64.69 3i56 h SER 20 CO 0.15 0.24 0.36 -0.44 -1.14 0.00 0.00 176.83 175.99 3i56 s SER 21 N -4.16 4.25 0.00 3.07 0.01 -0.35 -4.93 113.70 111.58 3i56 s SER 21 Ca -0.01 0.99 0.03 0.00 1.31 0.00 0.00 55.95 58.27 3i56 s SER 21 Cb 0.00 -1.59 0.21 0.00 0.21 0.00 0.00 66.02 64.85 3i56 s SER 21 CO 0.02 -2.09 0.77 0.61 0.41 0.00 0.00 173.24 172.96 3i56 n GLY 22 N -2.64 -0.60 3.77 3.44 0.00 -1.26 -4.56 105.19 103.33 3i56 n GLY 22 Ca 0.07 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3i56 n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i56 s GLY 23 N -1.51 2.86 0.00 -0.02 0.00 -1.12 -4.90 107.32 102.64 3i56 s GLY 23 Ca 0.05 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3i56 s GLY 23 CO 0.04 1.58 0.00 0.00 0.00 0.00 0.00 173.10 174.72 3i56 n ALA 24 N -0.14 1.88 -0.04 3.20 0.00 -1.26 -4.53 120.51 119.63 3i56 n ALA 24 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 3i56 n ALA 24 Cb 0.46 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3i56 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i56 h VAL 25 N 0.00 1.29 -0.06 0.00 -1.51 -1.92 -3.04 116.25 111.00 3i56 h VAL 25 Ca 0.00 -1.85 -0.07 0.00 -1.23 0.00 0.00 66.70 63.55 3i56 h VAL 25 Cb 0.12 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 3i56 h VAL 25 CO 0.00 0.59 -0.29 -0.50 -1.23 0.00 0.00 177.57 176.14 3i56 h TRP 26 N 0.57 0.11 0.00 5.19 -0.00 -1.86 -0.05 115.95 119.91 3i56 h TRP 26 Ca -0.01 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.70 3i56 h TRP 26 Cb 1.25 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 30.36 3i56 h TRP 26 CO 0.07 0.38 -0.74 0.78 -0.00 0.00 0.00 178.44 178.94 3i56 h GLY 27 N 0.95 0.00 2.00 1.49 0.00 -1.68 -0.90 103.07 104.93 3i56 h GLY 27 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 3i56 h GLY 27 CO 0.04 0.00 -0.59 -1.80 0.00 0.00 0.00 176.54 174.19 3i56 h ASP 28 N 0.00 0.00 0.45 0.19 3.58 -1.29 -1.17 116.42 118.18 3i56 h ASP 28 Ca -0.01 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.14 3i56 h ASP 28 Cb 1.52 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.56 3i56 h ASP 28 CO 0.10 0.59 -1.54 0.58 -2.88 0.00 0.00 179.24 176.09 3i56 h VAL 29 N 0.00 1.14 -0.42 2.25 2.07 -0.92 -3.20 116.25 117.18 3i56 h VAL 29 Ca -0.01 -2.79 -0.07 0.00 0.82 0.00 0.00 66.70 64.65 3i56 h VAL 29 Cb 1.22 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 33.72 3i56 h VAL 29 CO 0.08 0.81 -0.03 0.00 0.02 0.00 0.00 177.57 178.45 3i56 h ALA 30 N 0.51 1.16 -0.08 1.67 0.00 -1.02 -0.31 119.26 121.18 3i56 h ALA 30 Ca -0.24 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 3i56 h ALA 30 Cb 2.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 3i56 h ALA 30 CO 0.16 0.54 -0.47 0.93 0.00 0.00 0.00 179.25 180.41 3i56 h GLU 31 N 0.65 0.20 0.00 0.00 5.08 -1.31 -1.92 114.58 117.27 3i56 h GLU 31 Ca 0.13 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 3i56 h GLU 31 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3i56 h GLU 31 CO 0.02 0.63 -0.89 -0.09 -1.00 0.00 0.00 179.01 177.68 3i56 h ARG 32 N 0.16 0.00 0.00 2.33 9.65 -1.42 -3.17 114.38 121.94 3i56 h ARG 32 Ca 0.01 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3i56 h ARG 32 Cb 0.89 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 3i56 h ARG 32 CO 0.07 0.84 -0.05 -0.07 2.80 0.00 0.00 179.97 183.56 3i56 h LEU 33 N 0.00 0.00 -0.23 3.80 3.38 -0.82 -2.90 115.31 118.54 3i56 h LEU 33 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3i56 h LEU 33 Cb 1.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3i56 h LEU 33 CO 0.11 0.05 -0.22 -0.33 0.09 0.00 0.00 178.44 178.14 3i56 h GLU 34 N 0.00 0.00 -7.28 1.13 5.08 -1.33 -3.45 114.58 108.73 3i56 h GLU 34 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3i56 h GLU 34 Cb 0.95 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.28 3i56 h GLU 34 CO 0.01 0.22 0.37 0.15 -1.00 0.00 0.00 179.01 178.76 3i56 s LYS 35 N -3.20 3.08 0.59 2.33 1.02 -1.09 -4.98 119.74 117.49 3i56 s LYS 35 Ca 0.05 1.07 -0.18 0.00 0.02 0.00 0.00 55.97 56.93 3i56 s LYS 35 Cb 0.07 -2.01 -0.11 0.00 -0.52 0.00 0.00 37.83 35.27 3i56 s LYS 35 CO 0.69 -0.99 0.22 -2.30 -0.92 0.00 0.00 175.35 172.05 3i56 n PRO 36 N -2.66 0.27 0.11 -1.68 -0.02 -1.26 -4.88 135.00 124.87 3i56 n PRO 36 Ca 0.08 0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 3i56 n PRO 36 Cb 0.53 -1.43 0.53 0.00 -0.02 0.00 0.00 33.50 33.11 3i56 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i56 h ARG 37 N -0.00 0.29 0.00 -0.52 3.08 -1.94 -2.11 114.38 113.17 3i56 h ARG 37 Ca -0.44 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 3i56 h ARG 37 Cb 1.41 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 3i56 h ARG 37 CO 0.43 0.19 -0.11 0.07 -1.07 0.00 0.00 179.97 179.48 3i56 h ARG 38 N 0.29 0.00 -0.16 0.04 0.11 -2.01 -2.09 114.38 110.57 3i56 h ARG 38 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3i56 h ARG 38 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 3i56 h ARG 38 CO -0.02 0.11 0.00 0.25 0.10 0.00 0.00 179.97 180.41 3i56 n THR 39 N -3.36 0.19 -2.02 0.08 -2.24 -0.79 -4.91 114.28 101.23 3i56 n THR 39 Ca -0.01 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 3i56 n THR 39 Cb 0.30 0.49 0.06 0.00 -2.10 0.00 0.00 70.33 69.08 3i56 n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i56 s HIS 40 N -1.81 3.14 -0.00 4.78 3.76 -0.79 -5.01 115.29 119.37 3i56 s HIS 40 Ca 0.34 0.80 -0.25 0.00 -0.15 0.00 0.00 55.06 55.80 3i56 s HIS 40 Cb 0.19 -3.16 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 3i56 s HIS 40 CO 0.28 -1.33 0.77 0.00 -0.85 0.00 0.00 174.74 173.61 3i56 s ALA 41 N -3.34 3.33 -0.46 -1.40 0.00 -1.17 -4.98 121.76 113.73 3i56 s ALA 41 Ca 0.59 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3i56 s ALA 41 Cb -0.11 -3.02 0.14 0.00 0.00 0.00 0.00 23.12 20.13 3i56 s ALA 41 CO 0.49 -0.04 0.26 -1.21 0.00 0.00 0.00 175.76 175.26 3i56 s GLU 42 N 0.40 1.42 -0.13 0.00 2.02 -1.25 -0.02 118.70 121.15 3i56 s GLU 42 Ca 0.40 -2.16 -0.04 0.00 0.02 0.00 0.00 54.97 53.18 3i56 s GLU 42 Cb -0.19 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 3i56 s GLU 42 CO 0.22 -1.17 0.04 0.08 0.02 0.00 0.00 175.26 174.44 3i56 s VAL 43 N 0.15 4.60 0.31 2.63 1.01 -0.66 -4.95 120.40 123.49 3i56 s VAL 43 Ca 0.19 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3i56 s VAL 43 Cb -0.22 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3i56 s VAL 43 CO -0.02 0.56 0.46 0.20 0.00 0.00 0.00 175.10 176.30 3i56 s ASN 44 N -0.43 6.14 0.43 3.32 0.01 -1.26 0.92 114.94 124.08 3i56 s ASN 44 Ca 0.09 0.05 0.10 0.00 -0.71 0.00 0.00 52.86 52.39 3i56 s ASN 44 Cb -0.12 -1.62 0.95 0.00 0.41 0.00 0.00 41.25 40.87 3i56 s ASN 44 CO 0.02 -0.30 2.06 -0.07 -1.51 0.00 0.00 177.10 177.30 3i56 h LEU 45 N 0.93 0.31 -2.44 0.60 3.38 -1.16 -2.75 115.31 114.18 3i56 h LEU 45 Ca -0.49 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.48 3i56 h LEU 45 Cb 1.24 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3i56 h LEU 45 CO 0.58 0.26 0.07 1.23 0.09 0.00 0.00 178.44 180.67 3i56 h GLY 46 N 0.43 0.00 1.20 0.83 0.00 -1.75 -1.64 103.07 102.14 3i56 h GLY 46 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.09 3i56 h GLY 46 CO -0.02 0.00 -1.55 -0.09 0.00 0.00 0.00 176.54 174.88 3i56 h ARG 47 N 0.00 0.42 -0.10 4.80 2.43 -1.83 -3.08 114.38 117.02 3i56 h ARG 47 Ca 0.03 -0.72 -0.11 0.00 -0.81 0.00 0.00 59.98 58.37 3i56 h ARG 47 Cb 0.17 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3i56 h ARG 47 CO -0.00 1.33 -0.41 0.82 -1.51 0.00 0.00 179.97 180.20 3i56 h ILE 48 N 0.12 1.31 -0.07 1.20 2.04 -1.44 -2.44 117.51 118.22 3i56 h ILE 48 Ca -0.27 -1.51 -0.11 0.00 1.00 0.00 0.00 64.86 63.97 3i56 h ILE 48 Cb 2.11 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.85 3i56 h ILE 48 CO 0.22 0.45 -0.46 -0.08 0.00 0.00 0.00 178.15 178.28 3i56 h GLU 49 N 0.19 0.16 0.09 2.37 4.57 -1.41 -2.43 114.58 118.12 3i56 h GLU 49 Ca 0.02 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 57.95 3i56 h GLU 49 Cb 0.81 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.42 3i56 h GLU 49 CO 0.06 0.60 -0.68 -0.09 -1.18 0.00 0.00 179.01 177.72 3i56 h ARG 50 N 0.13 0.30 -0.23 1.92 2.43 -1.39 -3.40 114.38 114.16 3i56 h ARG 50 Ca 0.01 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3i56 h ARG 50 Cb 0.87 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3i56 h ARG 50 CO 0.07 1.17 0.00 0.66 -1.51 0.00 0.00 179.97 180.36 3i56 n TYR 51 N -4.20 0.29 -4.11 2.20 4.02 -0.95 -5.02 117.16 109.40 3i56 n TYR 51 Ca -0.12 -0.23 -0.22 0.00 -0.01 0.00 0.00 57.90 57.31 3i56 n TYR 51 Cb 0.75 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 40.01 3i56 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i56 s ALA 52 N -1.13 3.59 0.08 -0.72 0.00 -0.92 -5.07 121.76 117.59 3i56 s ALA 52 Ca 0.24 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.84 3i56 s ALA 52 Cb 0.14 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3i56 s ALA 52 CO 0.20 0.28 -0.10 1.14 0.00 0.00 0.00 175.76 177.28 3i56 s GLN 53 N -3.77 0.77 0.66 0.00 -2.07 -1.26 -4.96 119.66 109.04 3i56 s GLN 53 Ca 0.33 -1.05 -0.17 0.00 -1.82 0.00 0.00 55.36 52.64 3i56 s GLN 53 Cb -0.08 -0.51 -0.00 0.00 -1.09 0.00 0.00 33.01 31.33 3i56 s GLN 53 CO 0.25 0.09 1.23 -1.21 -1.32 0.00 0.00 175.29 174.32 3i56 s GLU 54 N -2.43 2.55 -1.52 9.60 2.02 -1.26 -3.38 118.70 124.28 3i56 s GLU 54 Ca 0.01 1.86 -0.06 0.00 0.02 0.00 0.00 54.97 56.81 3i56 s GLU 54 Cb -0.05 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 32.32 3i56 s GLU 54 CO 0.00 -1.55 0.71 -0.25 0.02 0.00 0.00 175.26 174.20 3i56 n ASP 55 N -2.10 -6.08 -3.65 -0.19 8.00 -1.26 -4.98 116.55 106.30 3i56 n ASP 55 Ca 0.14 -0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.18 3i56 n ASP 55 Cb 0.49 -4.89 -0.12 0.00 -0.02 0.00 0.00 41.12 36.59 3i56 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i56 s GLU 56 N -5.84 0.22 0.25 -1.24 2.12 -1.22 -5.00 118.70 107.99 3i56 s GLU 56 Ca 0.36 0.83 -0.30 0.00 0.36 0.00 0.00 54.97 56.23 3i56 s GLU 56 Cb -0.16 0.05 -0.09 0.00 0.26 0.00 0.00 34.13 34.19 3i56 s GLU 56 CO 0.45 -0.30 1.18 0.99 -0.54 0.00 0.00 175.26 177.05 3i56 s THR 57 N 2.49 3.35 -0.31 -1.70 2.01 -0.97 -4.44 115.64 116.08 3i56 s THR 57 Ca 0.01 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.16 3i56 s THR 57 Cb -0.12 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 3i56 s THR 57 CO -0.10 0.26 0.20 -0.69 -0.69 0.00 0.00 174.62 173.60 3i56 s VAL 58 N -0.71 5.12 -0.25 3.82 1.01 0.05 -0.77 120.40 128.67 3i56 s VAL 58 Ca 0.49 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 3i56 s VAL 58 Cb -0.34 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3i56 s VAL 58 CO 0.42 0.12 0.07 -0.69 0.00 0.00 0.00 175.10 175.02 3i56 s VAL 59 N 1.71 4.37 -0.32 2.92 1.01 0.95 0.17 120.40 131.22 3i56 s VAL 59 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 3i56 s VAL 59 Cb -0.17 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.21 3i56 s VAL 59 CO 0.10 0.34 0.07 -0.69 0.00 0.00 0.00 175.10 174.92 3i56 s VAL 60 N 1.55 3.59 -0.76 2.92 1.01 -0.37 -1.31 120.40 127.02 3i56 s VAL 60 Ca 0.06 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 3i56 s VAL 60 Cb -0.15 -3.00 -0.15 0.00 0.00 0.00 0.00 36.38 33.08 3i56 s VAL 60 CO 0.04 -0.11 2.92 -0.81 0.00 0.00 0.00 175.10 177.13 3i56 n PRO 61 N 4.77 2.51 0.00 2.72 -0.04 -1.26 -4.01 135.00 139.70 3i56 n PRO 61 Ca -0.13 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 3i56 n PRO 61 Cb 0.45 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3i56 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i56 n GLY 62 N 3.15 -0.49 3.31 0.55 0.00 -1.26 -3.04 105.19 107.41 3i56 n GLY 62 Ca 0.54 0.29 -0.29 0.00 0.00 0.00 0.00 46.02 46.57 3i56 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i56 s LYS 63 N 0.00 1.66 -0.19 1.61 2.20 0.98 -0.98 119.74 125.02 3i56 s LYS 63 Ca 0.00 -1.05 -0.07 0.00 -0.36 0.00 0.00 55.97 54.49 3i56 s LYS 63 Cb 0.00 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.47 3i56 s LYS 63 CO 0.00 0.47 0.06 0.08 -0.36 0.00 0.00 175.35 175.59 3i56 s VAL 64 N -0.79 4.68 0.05 4.02 1.01 -0.90 -1.66 120.40 126.81 3i56 s VAL 64 Ca 0.10 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3i56 s VAL 64 Cb -0.10 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3i56 s VAL 64 CO 0.02 0.45 -0.02 -0.76 0.00 0.00 0.00 175.10 174.79 3i56 s LEU 65 N 0.47 3.37 0.00 3.92 1.43 0.26 -1.91 118.68 126.23 3i56 s LEU 65 Ca 0.03 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3i56 s LEU 65 Cb -0.13 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.06 3i56 s LEU 65 CO 0.01 0.23 0.40 0.61 0.23 0.00 0.00 176.35 177.83 3i56 n GLY 66 N 1.01 1.00 3.73 -3.19 0.00 -1.26 -2.70 105.19 103.77 3i56 n GLY 66 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 3i56 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i56 s SER 67 N -0.31 7.01 0.00 1.61 0.01 -1.26 -4.82 113.70 115.93 3i56 s SER 67 Ca 0.00 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.47 3i56 s SER 67 Cb 0.00 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3i56 s SER 67 CO 0.00 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.20 3i56 n GLY 68 N 2.91 0.86 3.63 3.44 0.00 -1.26 -1.88 105.19 112.90 3i56 n GLY 68 Ca -0.02 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 3i56 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i56 s VAL 69 N -1.47 4.00 -0.13 1.61 1.01 -1.26 -4.72 120.40 119.44 3i56 s VAL 69 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3i56 s VAL 69 Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3i56 s VAL 69 CO 0.00 0.57 -0.17 -0.22 0.00 0.00 0.00 175.10 175.28 3i56 s LEU 70 N -0.94 1.83 -0.08 3.92 2.96 -1.26 -4.38 118.68 120.73 3i56 s LEU 70 Ca 0.14 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3i56 s LEU 70 Cb -0.11 -1.21 -0.10 0.00 0.50 0.00 0.00 46.19 45.26 3i56 s LEU 70 CO 0.03 0.02 0.03 0.00 -1.32 0.00 0.00 176.35 175.11 3i56 n GLN 71 N 4.27 2.59 -2.17 1.98 6.02 -1.26 -4.88 117.38 123.93 3i56 n GLN 71 Ca -0.19 -0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.39 3i56 n GLN 71 Cb 0.51 -1.21 -0.02 0.00 1.02 0.00 0.00 30.24 30.54 3i56 n GLN 71 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3i56 s LYS 72 N -2.20 4.35 -1.35 -1.09 1.02 -1.26 -4.94 119.74 114.27 3i56 s LYS 72 Ca -0.04 2.14 -0.13 0.00 0.02 0.00 0.00 55.97 57.96 3i56 s LYS 72 Cb 0.02 -3.05 0.10 0.00 -0.52 0.00 0.00 37.83 34.39 3i56 s LYS 72 CO 0.34 -0.16 1.95 -3.47 -0.92 0.00 0.00 175.35 173.09 3i56 n ASP 73 N 0.77 4.59 -4.75 2.83 2.03 -1.25 -4.57 116.55 116.20 3i56 n ASP 73 Ca 0.00 -2.96 -0.27 0.00 0.52 0.00 0.00 54.79 52.08 3i56 n ASP 73 Cb 0.42 -1.60 -0.06 0.00 -0.72 0.00 0.00 41.12 39.16 3i56 n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3i56 s VAL 74 N 2.16 4.27 -0.40 5.18 -7.23 -1.26 -4.56 120.40 118.56 3i56 s VAL 74 Ca 0.45 -1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 59.39 3i56 s VAL 74 Cb 0.09 -3.14 0.04 0.00 0.56 0.00 0.00 36.38 33.93 3i56 s VAL 74 CO -0.02 -0.05 0.26 -0.89 -0.31 0.00 0.00 175.10 174.09 3i56 s THR 75 N -1.65 4.78 -0.11 5.32 2.01 -1.26 -2.44 115.64 122.29 3i56 s THR 75 Ca 0.29 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 61.23 3i56 s THR 75 Cb -0.10 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 3i56 s THR 75 CO 0.22 -0.34 0.33 -0.69 -0.69 0.00 0.00 174.62 173.45 3i56 s VAL 76 N 1.58 5.24 -0.15 3.82 1.01 -0.28 -0.77 120.40 130.85 3i56 s VAL 76 Ca 0.03 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.66 3i56 s VAL 76 Cb -0.20 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3i56 s VAL 76 CO 0.07 0.45 -0.15 0.00 0.00 0.00 0.00 175.10 175.46 3i56 s ALA 77 N -0.01 1.92 0.29 5.51 0.00 0.13 -0.59 121.76 128.99 3i56 s ALA 77 Ca 0.20 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3i56 s ALA 77 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3i56 s ALA 77 CO 0.07 -0.35 0.31 0.00 0.00 0.00 0.00 175.76 175.79 3i56 s ALA 78 N 1.41 1.10 0.16 0.00 0.00 -1.20 -1.23 121.76 122.01 3i56 s ALA 78 Ca 0.04 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 3i56 s ALA 78 Cb -0.13 1.31 0.01 0.00 0.00 0.00 0.00 23.12 24.31 3i56 s ALA 78 CO -0.10 -0.70 1.39 0.28 0.00 0.00 0.00 175.76 176.63 3i56 h VAL 79 N 2.29 1.41 -2.54 0.00 2.07 -1.19 -2.43 116.25 115.86 3i56 h VAL 79 Ca -0.29 -2.32 -0.05 0.00 0.82 0.00 0.00 66.70 64.85 3i56 h VAL 79 Cb 1.24 2.27 -0.16 0.00 -1.52 0.00 0.00 31.29 33.12 3i56 h VAL 79 CO 0.42 0.69 0.13 -0.62 0.02 0.00 0.00 177.57 178.21 3i56 s ASP 80 N -6.99 -0.55 0.01 0.57 -1.08 -1.19 -4.87 116.67 102.57 3i56 s ASP 80 Ca -0.05 0.34 0.06 0.00 -0.52 0.00 0.00 52.55 52.38 3i56 s ASP 80 Cb 0.10 0.53 -0.02 0.00 -1.46 0.00 0.00 42.92 42.07 3i56 s ASP 80 CO 0.84 -0.73 -0.18 -0.36 0.52 0.00 0.00 175.17 175.27 3i56 s PHE 81 N -2.25 1.55 0.44 -5.34 0.40 -1.26 -2.11 117.98 109.41 3i56 s PHE 81 Ca -0.06 -0.32 -0.22 0.00 -0.60 0.00 0.00 56.93 55.73 3i56 s PHE 81 Cb -0.01 -0.97 -0.09 0.00 0.51 0.00 0.00 43.02 42.46 3i56 s PHE 81 CO 0.00 0.02 1.01 -1.54 0.70 0.00 0.00 175.22 175.41 3i56 s SER 82 N -0.73 6.66 0.55 1.36 1.04 -0.80 -4.83 113.70 116.95 3i56 s SER 82 Ca 0.06 1.88 0.36 0.00 0.48 0.00 0.00 55.95 58.74 3i56 s SER 82 Cb -0.07 -2.56 1.54 0.00 0.10 0.00 0.00 66.02 65.02 3i56 s SER 82 CO 0.00 -0.56 1.79 1.23 0.98 0.00 0.00 173.24 176.69 3i56 h GLY 83 N 1.98 0.00 1.05 7.32 0.00 -2.00 -0.09 103.07 111.33 3i56 h GLY 83 Ca -0.49 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.51 3i56 h GLY 83 CO 0.61 0.00 -1.66 -0.84 0.00 0.00 0.00 176.54 174.65 3i56 h THR 84 N 0.00 1.02 -0.13 4.70 2.02 -1.96 -3.21 112.91 115.36 3i56 h THR 84 Ca 0.55 -2.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.09 3i56 h THR 84 Cb 2.27 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 71.43 3i56 h THR 84 CO -0.01 0.83 0.06 0.00 0.37 0.00 0.00 175.52 176.78 3i56 h ALA 85 N 0.29 0.16 -0.61 6.16 0.00 -1.35 0.12 119.26 124.03 3i56 h ALA 85 Ca -0.30 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3i56 h ALA 85 Cb 2.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 3i56 h ALA 85 CO 0.17 -0.27 0.40 1.49 0.00 0.00 0.00 179.25 181.04 3i56 h GLU 86 N 0.07 0.78 -0.10 0.00 4.81 -1.48 0.13 114.58 118.79 3i56 h GLU 86 Ca 0.04 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 3i56 h GLU 86 Cb 0.13 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.34 3i56 h GLU 86 CO -0.01 0.52 -0.56 1.15 -0.73 0.00 0.00 179.01 179.39 3i56 h THR 87 N 0.81 1.36 0.00 0.32 2.02 -1.48 -1.98 112.91 113.95 3i56 h THR 87 Ca 0.23 -1.87 -0.04 0.00 0.77 0.00 0.00 66.41 65.49 3i56 h THR 87 Cb -0.07 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3i56 h THR 87 CO -0.05 0.57 -0.19 0.11 0.37 0.00 0.00 175.52 176.32 3i56 h LYS 88 N 0.16 0.00 0.03 6.66 1.57 0.09 -3.19 116.57 121.89 3i56 h LYS 88 Ca -0.04 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 3i56 h LYS 88 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 3i56 h LYS 88 CO 0.11 0.19 -1.05 0.82 -0.57 0.00 0.00 179.45 178.96 3i56 h ILE 89 N 0.00 1.12 0.00 1.86 2.04 -0.78 -3.36 117.51 118.39 3i56 h ILE 89 Ca -0.00 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3i56 h ILE 89 Cb 0.67 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 3i56 h ILE 89 CO 0.02 0.49 0.05 0.47 0.00 0.00 0.00 178.15 179.18 3i56 n ASP 90 N -4.32 0.20 -0.01 1.72 8.00 -0.75 0.53 116.55 121.92 3i56 n ASP 90 Ca -0.26 0.56 -0.16 0.00 0.71 0.00 0.00 54.79 55.64 3i56 n ASP 90 Cb 0.70 -0.58 -0.13 0.00 -0.02 0.00 0.00 41.12 41.10 3i56 n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3i56 h GLN 91 N 0.00 0.18 -0.01 -1.24 4.20 -1.70 -3.39 115.11 113.16 3i56 h GLN 91 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3i56 h GLN 91 Cb 0.09 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3i56 h GLN 91 CO 0.00 1.04 -0.20 1.33 -0.67 0.00 0.00 178.83 180.32 3i56 n VAL 92 N -4.41 0.00 0.00 -0.54 0.24 -0.65 -5.06 118.33 107.91 3i56 n VAL 92 Ca -0.11 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3i56 n VAL 92 Cb 0.59 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 3i56 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i56 n GLY 93 N 0.94 3.33 3.08 7.63 0.00 0.19 -3.81 105.19 116.55 3i56 n GLY 93 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3i56 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i56 s GLU 94 N 4.47 0.21 -0.47 1.61 2.12 -1.02 -4.32 118.70 121.29 3i56 s GLU 94 Ca 0.00 0.77 -0.18 0.00 0.36 0.00 0.00 54.97 55.92 3i56 s GLU 94 Cb 0.00 0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.46 3i56 s GLU 94 CO 0.00 -0.25 0.53 0.00 -0.54 0.00 0.00 175.26 175.00 3i56 s ALA 95 N 2.17 3.43 0.09 6.30 0.00 -1.26 -1.13 121.76 131.36 3i56 s ALA 95 Ca -0.02 -1.72 0.07 0.00 0.00 0.00 0.00 51.96 50.29 3i56 s ALA 95 Cb -0.11 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3i56 s ALA 95 CO -0.10 -1.82 -0.13 0.08 0.00 0.00 0.00 175.76 173.80 3i56 s VAL 96 N 2.30 3.20 0.47 0.00 1.01 0.24 -5.00 120.40 122.62 3i56 s VAL 96 Ca 0.12 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 3i56 s VAL 96 Cb -0.19 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 3i56 s VAL 96 CO 0.12 0.15 1.02 -0.94 0.00 0.00 0.00 175.10 175.45 3i56 s SER 97 N -2.06 6.47 0.55 3.32 1.04 -1.26 -3.23 113.70 118.52 3i56 s SER 97 Ca 0.20 1.88 0.32 0.00 0.48 0.00 0.00 55.95 58.83 3i56 s SER 97 Cb -0.11 -2.56 1.56 0.00 0.10 0.00 0.00 66.02 65.01 3i56 s SER 97 CO 0.12 -0.69 2.08 0.25 0.98 0.00 0.00 173.24 175.97 3i56 h LEU 98 N 1.65 0.00 -0.82 2.42 5.85 -1.76 -1.79 115.31 120.86 3i56 h LEU 98 Ca -0.49 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 3i56 h LEU 98 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3i56 h LEU 98 CO 0.59 0.08 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.92 3i56 h GLU 99 N 0.00 0.17 0.00 1.25 3.07 -1.92 -2.81 114.58 114.34 3i56 h GLU 99 Ca -0.00 -0.10 -0.23 0.00 -0.50 0.00 0.00 59.36 58.53 3i56 h GLU 99 Cb 0.36 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 3i56 h GLU 99 CO 0.01 0.65 -1.16 1.96 -1.40 0.00 0.00 179.01 179.07 3i56 h GLN 100 N 0.13 0.00 0.00 2.33 4.20 -1.72 -3.29 115.11 116.76 3i56 h GLN 100 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3i56 h GLN 100 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 3i56 h GLN 100 CO 0.08 0.85 -0.37 0.00 -0.67 0.00 0.00 178.83 178.71 3i56 h ALA 101 N 1.03 1.30 0.00 3.87 0.00 -1.30 0.13 119.26 124.29 3i56 h ALA 101 Ca -0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 3i56 h ALA 101 Cb 1.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3i56 h ALA 101 CO 0.11 0.46 -0.39 0.82 0.00 0.00 0.00 179.25 180.26 3i56 h ILE 102 N 0.00 0.99 0.09 0.00 2.04 -1.56 -0.28 117.51 118.78 3i56 h ILE 102 Ca -0.00 -1.50 -0.34 0.00 1.00 0.00 0.00 64.86 64.02 3i56 h ILE 102 Cb 0.69 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 3i56 h ILE 102 CO 0.05 0.38 -1.87 -0.08 0.00 0.00 0.00 178.15 176.63 3i56 h GLU 103 N 0.00 0.19 -0.00 2.37 4.81 -1.47 -3.14 114.58 117.34 3i56 h GLU 103 Ca -0.00 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3i56 h GLU 103 Cb 0.85 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 3i56 h GLU 103 CO 0.05 0.99 -0.00 -0.91 -0.73 0.00 0.00 179.01 178.41 3i56 h ASN 104 N 0.05 0.00 -2.54 1.04 2.35 -0.95 -3.39 115.58 112.13 3i56 h ASN 104 Ca -0.37 -0.45 -0.60 0.00 -0.55 0.00 0.00 56.30 54.34 3i56 h ASN 104 Cb 2.03 -0.00 -0.40 0.00 0.05 0.00 0.00 38.32 40.00 3i56 h ASN 104 CO 0.10 0.45 -0.79 -3.20 -1.65 0.00 0.00 177.43 172.33 3i56 n ASN 105 N -4.87 1.54 0.26 5.81 5.15 -0.12 -4.93 115.26 118.10 3i56 n ASN 105 Ca -0.08 -2.89 0.16 0.00 -0.60 0.00 0.00 54.58 51.16 3i56 n ASN 105 Cb 0.23 -0.66 0.60 0.00 -0.53 0.00 0.00 39.78 39.43 3i56 n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3i56 h PRO 106 N 5.08 0.00 0.00 1.20 0.13 -1.71 -2.64 132.00 134.06 3i56 h PRO 106 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3i56 h PRO 106 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3i56 h PRO 106 CO 0.58 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 3i56 n GLU 107 N -3.14 0.14 -3.53 0.86 4.71 -1.26 -4.05 120.64 114.38 3i56 n GLU 107 Ca 0.01 0.31 -0.23 0.00 -0.01 0.00 0.00 57.16 57.24 3i56 n GLU 107 Cb 0.34 -1.74 0.07 0.00 -1.01 0.00 0.00 31.44 29.11 3i56 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i56 n GLY 108 N 0.33 -0.51 3.94 0.62 0.00 -1.00 -2.79 105.19 105.78 3i56 n GLY 108 Ca 0.03 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 3i56 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i56 s SER 109 N -3.26 6.34 -1.11 1.61 1.04 -1.26 -4.66 113.70 112.39 3i56 s SER 109 Ca 0.55 0.38 -0.24 0.00 0.48 0.00 0.00 55.95 57.13 3i56 s SER 109 Cb -0.24 -2.00 0.02 0.00 0.10 0.00 0.00 66.02 63.89 3i56 s SER 109 CO 0.68 -0.17 0.71 1.41 0.98 0.00 0.00 173.24 176.86 3i56 n HIS 110 N -1.30 -1.72 -3.97 5.02 8.25 -1.26 -4.89 115.22 115.35 3i56 n HIS 110 Ca -0.05 0.34 -0.15 0.00 -0.26 0.00 0.00 57.72 57.60 3i56 n HIS 110 Cb 0.55 -3.05 -0.15 0.00 1.12 0.00 0.00 29.99 28.46 3i56 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i56 s VAL 111 N -3.41 0.18 -0.13 1.59 0.11 -1.26 -2.30 120.40 115.18 3i56 s VAL 111 Ca 0.40 -0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.38 3i56 s VAL 111 Cb -0.19 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 3i56 s VAL 111 CO 0.92 0.09 0.00 -0.60 -3.33 0.00 0.00 175.10 172.17 3i56 s ARG 112 N 0.34 3.47 -0.36 1.54 6.06 0.05 -4.97 118.95 125.08 3i56 s ARG 112 Ca -0.03 -0.43 -0.14 0.00 -2.50 0.00 0.00 55.73 52.63 3i56 s ARG 112 Cb -0.06 -2.93 -0.01 0.00 0.06 0.00 0.00 34.95 32.01 3i56 s ARG 112 CO -0.01 0.43 0.27 0.08 -2.50 0.00 0.00 175.30 173.58 3i56 s VAL 113 N -0.14 5.27 -0.08 7.11 1.01 -1.26 -0.03 120.40 132.28 3i56 s VAL 113 Ca 0.04 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3i56 s VAL 113 Cb -0.13 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3i56 s VAL 113 CO 0.02 -0.10 -0.18 -0.63 0.00 0.00 0.00 175.10 174.21 3i56 s ILE 114 N 1.74 2.66 0.00 2.22 -1.09 -0.43 -4.97 121.20 121.34 3i56 s ILE 114 Ca 0.06 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 3i56 s ILE 114 Cb -0.18 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 3i56 s ILE 114 CO 0.11 0.56 0.00 -2.11 -1.23 0.00 0.00 174.94 172.27