#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 n LYS 2 N 0.00 0.08 -0.00 4.33 4.76 -1.26 -4.95 118.16 121.13 3i55 n LYS 2 Ca 0.00 0.10 0.02 0.00 -2.87 0.00 0.00 58.31 55.57 3i55 n LYS 2 Cb 0.00 -2.37 -0.04 0.00 -1.84 0.00 0.00 35.03 30.78 3i55 n LYS 2 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3i55 n THR 3 N -3.39 0.00 -2.64 -0.18 5.66 -1.26 -4.98 114.28 107.49 3i55 n THR 3 Ca 0.13 -0.18 -0.43 0.00 -3.05 0.00 0.00 64.05 60.52 3i55 n THR 3 Cb 0.51 0.53 -0.02 0.00 -1.55 0.00 0.00 70.33 69.80 3i55 n THR 3 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3i55 s ASN 4 N -2.31 7.14 0.28 1.09 3.84 -1.26 -4.93 114.94 118.78 3i55 s ASN 4 Ca -0.01 1.48 -0.01 0.00 0.21 0.00 0.00 52.86 54.53 3i55 s ASN 4 Cb 0.03 -2.55 0.39 0.00 -0.55 0.00 0.00 41.25 38.58 3i55 s ASN 4 CO 0.21 -0.60 1.78 -0.65 -2.79 0.00 0.00 177.10 175.06 3i55 h PRO 5 N 7.38 0.73 0.35 0.43 0.11 -1.99 -1.48 132.00 137.53 3i55 h PRO 5 Ca -0.24 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3i55 h PRO 5 Cb 1.10 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3i55 h PRO 5 CO 0.93 0.74 -0.17 0.00 -0.21 0.00 0.00 178.00 179.30 3i55 h ARG 6 N 0.69 -0.45 -0.98 1.05 3.08 -1.99 -1.17 114.38 114.61 3i55 h ARG 6 Ca 0.14 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.36 3i55 h ARG 6 Cb 0.42 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.48 3i55 h ARG 6 CO 0.02 -0.15 0.60 1.25 -1.07 0.00 0.00 179.97 180.61 3i55 h LEU 7 N -0.74 0.83 -0.60 3.04 5.85 -1.96 0.21 115.31 121.94 3i55 h LEU 7 Ca -0.05 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3i55 h LEU 7 Cb 0.50 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3i55 h LEU 7 CO 0.08 0.39 0.34 0.77 -0.34 0.00 0.00 178.44 179.68 3i55 h SER 8 N 0.87 0.74 0.45 1.25 4.64 -1.06 -2.22 113.55 118.21 3i55 h SER 8 Ca 0.51 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.73 3i55 h SER 8 Cb 0.63 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3i55 h SER 8 CO -0.31 0.60 -0.21 0.28 -0.87 0.00 0.00 176.83 176.31 3i55 h SER 9 N 0.81 -0.51 -0.87 4.97 0.02 0.56 -2.02 113.55 116.51 3i55 h SER 9 Ca 0.21 0.02 0.17 0.00 -0.84 0.00 0.00 61.79 61.35 3i55 h SER 9 Cb 0.02 0.13 -0.16 0.00 0.14 0.00 0.00 62.40 62.53 3i55 h SER 9 CO -0.04 -0.36 -0.24 -0.11 -1.14 0.00 0.00 176.83 174.94 3i55 n LEU 10 N -3.61 -0.35 -0.12 5.07 7.94 0.23 0.13 117.00 126.28 3i55 n LEU 10 Ca -0.07 1.50 -0.06 0.00 -1.11 0.00 0.00 56.01 56.26 3i55 n LEU 10 Cb 0.24 -0.43 0.02 0.00 0.53 0.00 0.00 43.42 43.77 3i55 n LEU 10 CO 0.18 -1.42 0.97 0.40 -1.11 0.00 0.00 177.39 176.40 3i55 h ILE 11 N 0.00 0.94 -0.81 1.96 2.04 -1.28 0.74 117.51 121.09 3i55 h ILE 11 Ca 0.40 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 66.16 3i55 h ILE 11 Cb 0.62 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 3i55 h ILE 11 CO -0.89 0.06 0.53 0.00 0.00 0.00 0.00 178.15 177.85 3i55 h ALA 12 N 1.22 1.05 0.25 1.87 0.00 0.18 -2.33 119.26 121.50 3i55 h ALA 12 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i55 h ALA 12 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3i55 h ALA 12 CO -0.14 0.38 -0.12 -0.44 0.00 0.00 0.00 179.25 178.93 3i55 h ASP 13 N 1.04 -0.28 0.00 0.00 3.32 0.81 -2.12 116.42 119.19 3i55 h ASP 13 Ca 0.31 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3i55 h ASP 13 Cb -0.04 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3i55 h ASP 13 CO -0.10 -0.10 0.53 -0.07 -1.72 0.00 0.00 179.24 177.79 3i55 h LEU 14 N -0.45 0.00 0.00 1.55 3.38 0.95 -2.13 115.31 118.61 3i55 h LEU 14 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i55 h LEU 14 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i55 h LEU 14 CO 0.06 0.00 -0.10 0.11 0.09 0.00 0.00 178.44 178.60 3i55 h LYS 15 N 0.00 0.00 -0.63 1.13 1.57 -0.97 -3.11 116.57 114.56 3i55 h LYS 15 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3i55 h LYS 15 Cb 1.06 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.28 3i55 h LYS 15 CO 0.00 0.00 -0.27 0.45 -0.57 0.00 0.00 179.45 179.06 3i55 n SER 16 N -3.24 -0.46 0.00 0.86 2.88 -0.83 -0.38 113.62 112.45 3i55 n SER 16 Ca -0.01 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3i55 n SER 16 Cb 0.05 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 3i55 n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i55 n ALA 17 N -3.64 -0.19 -0.49 -1.46 0.00 -1.02 0.16 120.51 113.87 3i55 n ALA 17 Ca 0.05 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.91 3i55 n ALA 17 Cb 0.24 0.18 0.69 0.00 0.00 0.00 0.00 19.45 20.56 3i55 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i55 h ALA 18 N -1.70 2.88 0.00 0.00 0.00 -0.75 0.15 119.26 119.85 3i55 h ALA 18 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3i55 h ALA 18 Cb 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i55 h ALA 18 CO 0.00 -1.58 -0.21 0.00 0.00 0.00 0.00 179.25 177.45 3i55 h ARG 19 N 0.00 0.00 0.00 0.00 3.08 0.02 -3.36 114.38 114.12 3i55 h ARG 19 Ca 0.89 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.94 3i55 h ARG 19 Cb 2.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.95 3i55 h ARG 19 CO -0.46 0.33 0.00 0.43 -1.07 0.00 0.00 179.97 179.20 3i55 n SER 20 N -4.68 0.00 -4.10 7.04 7.64 0.41 -4.79 113.62 115.14 3i55 n SER 20 Ca -0.07 0.85 -0.30 0.00 1.01 0.00 0.00 58.87 60.36 3i55 n SER 20 Cb 0.22 -0.38 0.21 0.00 -1.01 0.00 0.00 64.21 63.26 3i55 n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3i55 s SER 21 N -2.03 1.68 0.00 6.43 0.01 0.41 -4.89 113.70 115.31 3i55 s SER 21 Ca 0.00 0.73 0.10 0.00 1.31 0.00 0.00 55.95 58.09 3i55 s SER 21 Cb 0.00 -1.06 0.62 0.00 0.21 0.00 0.00 66.02 65.79 3i55 s SER 21 CO 0.00 -3.66 1.18 0.61 0.41 0.00 0.00 173.24 171.78 3i55 n GLY 22 N -1.38 -0.71 3.68 3.44 0.00 -1.25 -4.51 105.19 104.46 3i55 n GLY 22 Ca 0.11 -0.06 -0.59 0.00 0.00 0.00 0.00 46.02 45.48 3i55 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i55 n GLY 23 N 0.31 0.55 0.00 -0.02 0.00 -0.93 -4.80 105.19 100.31 3i55 n GLY 23 Ca 0.08 0.89 0.03 0.00 0.00 0.00 0.00 46.02 47.02 3i55 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 n ALA 24 N 4.22 2.60 -0.12 4.61 0.00 -1.26 -4.19 120.51 126.36 3i55 n ALA 24 Ca 0.25 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 53.26 3i55 n ALA 24 Cb 0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 3i55 n ALA 24 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i55 n VAL 25 N -1.37 1.54 -0.32 0.00 0.24 -1.26 -3.63 118.33 113.53 3i55 n VAL 25 Ca 0.00 -0.25 0.18 0.00 -2.04 0.00 0.00 64.34 62.23 3i55 n VAL 25 Cb 0.13 -1.93 0.36 0.00 -1.47 0.00 0.00 33.84 30.93 3i55 n VAL 25 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 3i55 h TRP 26 N -0.94 0.39 0.00 6.34 -0.00 -1.83 2.24 115.95 122.14 3i55 h TRP 26 Ca -0.55 0.05 -0.05 0.00 -0.00 0.00 0.00 58.89 58.34 3i55 h TRP 26 Cb 1.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 30.65 3i55 h TRP 26 CO -0.00 -0.32 -0.26 0.78 -0.00 0.00 0.00 178.44 178.64 3i55 h GLY 27 N 0.13 0.00 0.36 1.49 0.00 -1.74 -2.17 103.07 101.14 3i55 h GLY 27 Ca 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 3i55 h GLY 27 CO -0.74 0.00 -0.09 -1.80 0.00 0.00 0.00 176.54 173.91 3i55 h ASP 28 N 0.00 -0.21 -0.48 0.19 3.58 0.31 -3.02 116.42 116.79 3i55 h ASP 28 Ca -0.00 -0.31 0.09 0.00 0.42 0.00 0.00 57.03 57.23 3i55 h ASP 28 Cb 1.01 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 42.04 3i55 h ASP 28 CO 0.03 0.33 0.00 0.58 -2.88 0.00 0.00 179.24 177.31 3i55 h VAL 29 N -0.89 0.63 -0.88 2.25 2.07 0.90 -0.54 116.25 119.79 3i55 h VAL 29 Ca -0.03 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.63 3i55 h VAL 29 Cb 0.51 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 3i55 h VAL 29 CO 0.04 0.02 0.44 0.00 0.02 0.00 0.00 177.57 178.09 3i55 h ALA 30 N 1.43 1.38 0.00 1.67 0.00 -1.46 0.72 119.26 123.00 3i55 h ALA 30 Ca 0.24 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3i55 h ALA 30 Cb 0.36 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i55 h ALA 30 CO -0.40 -0.19 -0.10 0.93 0.00 0.00 0.00 179.25 179.49 3i55 h GLU 31 N 0.55 0.00 0.15 0.00 5.08 -0.96 0.29 114.58 119.68 3i55 h GLU 31 Ca 0.51 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.55 3i55 h GLU 31 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3i55 h GLU 31 CO -0.43 0.10 -1.61 -0.09 -1.00 0.00 0.00 179.01 175.98 3i55 h ARG 32 N 0.00 0.32 -0.13 2.33 9.65 0.61 -3.29 114.38 123.86 3i55 h ARG 32 Ca -0.00 -0.54 -0.13 0.00 -1.10 0.00 0.00 59.98 58.21 3i55 h ARG 32 Cb 0.26 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3i55 h ARG 32 CO 0.01 1.20 -0.50 -0.07 2.80 0.00 0.00 179.97 183.42 3i55 h LEU 33 N 0.09 0.37 -0.51 3.80 3.38 -0.32 -2.07 115.31 120.05 3i55 h LEU 33 Ca -0.28 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3i55 h LEU 33 Cb 2.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3i55 h LEU 33 CO 0.17 0.81 0.00 -0.62 0.09 0.00 0.00 178.44 178.90 3i55 n GLU 34 N -3.96 0.06 -3.08 1.13 1.02 0.98 -4.66 120.64 112.12 3i55 n GLU 34 Ca -0.02 0.50 -0.23 0.00 -0.02 0.00 0.00 57.16 57.39 3i55 n GLU 34 Cb 0.55 -1.68 0.01 0.00 -0.02 0.00 0.00 31.44 30.30 3i55 n GLU 34 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3i55 s LYS 35 N -3.20 3.15 0.44 3.49 1.02 -0.78 -4.97 119.74 118.89 3i55 s LYS 35 Ca 0.01 -0.49 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 3i55 s LYS 35 Cb 0.04 -2.59 -0.15 0.00 -0.52 0.00 0.00 37.83 34.61 3i55 s LYS 35 CO 0.14 -0.17 0.13 -2.30 -0.92 0.00 0.00 175.35 172.23 3i55 n PRO 36 N -2.00 0.11 0.22 -1.68 -0.02 -1.26 -4.78 135.00 125.60 3i55 n PRO 36 Ca 0.00 0.04 0.06 0.00 -2.02 0.00 0.00 63.50 61.59 3i55 n PRO 36 Cb 0.57 -1.12 0.52 0.00 -0.02 0.00 0.00 33.50 33.45 3i55 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i55 h ARG 37 N 0.30 0.00 0.00 -0.52 3.08 -1.94 -1.79 114.38 113.51 3i55 h ARG 37 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3i55 h ARG 37 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.49 3i55 h ARG 37 CO 0.46 0.21 0.00 0.07 -1.07 0.00 0.00 179.97 179.65 3i55 h ARG 38 N 0.00 0.00 0.00 0.04 0.11 -2.01 -1.98 114.38 110.54 3i55 h ARG 38 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i55 h ARG 38 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3i55 h ARG 38 CO 0.03 0.00 -1.35 0.25 0.10 0.00 0.00 179.97 179.00 3i55 n THR 39 N -2.81 0.33 -0.93 0.08 -2.24 -0.69 -4.94 114.28 103.08 3i55 n THR 39 Ca 0.00 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 3i55 n THR 39 Cb 0.23 -0.13 0.14 0.00 -2.10 0.00 0.00 70.33 68.47 3i55 n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3i55 s HIS 40 N -3.39 1.83 0.20 4.78 3.76 -0.75 -4.96 115.29 116.76 3i55 s HIS 40 Ca -0.02 1.72 -0.27 0.00 -0.15 0.00 0.00 55.06 56.33 3i55 s HIS 40 Cb 0.12 -3.34 -0.08 0.00 1.11 0.00 0.00 32.58 30.38 3i55 s HIS 40 CO 0.83 -2.65 0.85 0.00 -0.85 0.00 0.00 174.74 172.93 3i55 s ALA 41 N -2.53 3.40 -0.34 -1.40 0.00 -0.79 -4.97 121.76 115.12 3i55 s ALA 41 Ca 0.68 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3i55 s ALA 41 Cb -0.24 -3.08 0.11 0.00 0.00 0.00 0.00 23.12 19.92 3i55 s ALA 41 CO 0.55 0.25 0.13 -1.21 0.00 0.00 0.00 175.76 175.48 3i55 s GLU 42 N -1.18 0.88 -0.03 0.00 2.02 -1.26 -0.66 118.70 118.47 3i55 s GLU 42 Ca 0.38 -1.34 0.07 0.00 0.02 0.00 0.00 54.97 54.11 3i55 s GLU 42 Cb -0.24 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 3i55 s GLU 42 CO 0.29 -1.03 -0.25 0.14 0.02 0.00 0.00 175.26 174.43 3i55 s VAL 43 N 1.28 2.00 0.64 2.63 -7.23 -0.99 -4.96 120.40 113.77 3i55 s VAL 43 Ca 0.12 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 3i55 s VAL 43 Cb -0.19 -1.67 0.09 0.00 0.56 0.00 0.00 36.38 35.16 3i55 s VAL 43 CO -0.18 0.56 0.89 0.20 -0.31 0.00 0.00 175.10 176.27 3i55 s ASN 44 N -0.43 4.76 0.31 4.85 0.01 -1.26 0.74 114.94 123.92 3i55 s ASN 44 Ca 0.05 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 51.96 3i55 s ASN 44 Cb -0.11 -0.31 0.50 0.00 0.41 0.00 0.00 41.25 41.74 3i55 s ASN 44 CO 0.01 -1.55 1.80 -0.07 -1.51 0.00 0.00 177.10 175.77 3i55 h LEU 45 N -0.24 0.49 -0.89 0.60 3.38 -1.51 -3.08 115.31 114.06 3i55 h LEU 45 Ca -0.38 -0.13 0.22 0.00 0.09 0.00 0.00 57.88 57.68 3i55 h LEU 45 Cb 1.28 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 3i55 h LEU 45 CO 0.45 0.65 0.39 1.23 0.09 0.00 0.00 178.44 181.25 3i55 h GLY 46 N 0.93 1.51 1.42 0.83 0.00 -1.56 0.16 103.07 106.37 3i55 h GLY 46 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3i55 h GLY 46 CO 0.03 -0.26 0.00 -2.13 0.00 0.00 0.00 176.54 174.18 3i55 n ARG 47 N -5.04 0.50 -0.12 4.80 0.63 -1.16 -3.52 116.66 112.75 3i55 n ARG 47 Ca 0.22 0.03 -0.22 0.00 -0.92 0.00 0.00 57.85 56.95 3i55 n ARG 47 Cb 0.64 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.97 3i55 n ARG 47 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3i55 n ILE 48 N -1.21 1.52 0.26 5.15 5.41 0.52 -3.59 119.36 127.42 3i55 n ILE 48 Ca 0.15 -0.16 0.09 0.00 1.00 0.00 0.00 62.75 63.83 3i55 n ILE 48 Cb 0.18 -2.05 0.50 0.00 -0.71 0.00 0.00 39.64 37.56 3i55 n ILE 48 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3i55 h GLU 49 N -1.00 0.00 0.04 0.38 4.57 -1.53 0.09 114.58 117.13 3i55 h GLU 49 Ca -0.44 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.41 3i55 h GLU 49 Cb 1.34 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.88 3i55 h GLU 49 CO -0.26 0.00 -2.00 -2.13 -1.18 0.00 0.00 179.01 173.44 3i55 n ARG 50 N -2.47 0.68 0.00 1.92 0.63 -1.23 -4.63 116.66 111.56 3i55 n ARG 50 Ca -0.01 0.22 0.02 0.00 -0.92 0.00 0.00 57.85 57.15 3i55 n ARG 50 Cb 0.46 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.69 3i55 n ARG 50 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i55 n TYR 51 N -3.14 0.00 -3.69 -0.14 0.53 -0.15 -5.03 117.16 105.54 3i55 n TYR 51 Ca -0.27 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.25 3i55 n TYR 51 Cb 1.06 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 39.32 3i55 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i55 s ALA 52 N -0.72 3.80 -0.03 -0.72 0.00 -0.21 -5.07 121.76 118.80 3i55 s ALA 52 Ca 0.04 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.57 3i55 s ALA 52 Cb 0.03 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 3i55 s ALA 52 CO 0.09 0.60 -0.20 1.14 0.00 0.00 0.00 175.76 177.39 3i55 s GLN 53 N -1.67 1.90 0.67 0.00 -2.07 -1.26 -4.91 119.66 112.33 3i55 s GLN 53 Ca 0.28 -0.73 -0.17 0.00 -1.82 0.00 0.00 55.36 52.91 3i55 s GLN 53 Cb -0.14 -1.72 -0.07 0.00 -1.09 0.00 0.00 33.01 30.00 3i55 s GLN 53 CO 0.15 0.36 0.41 0.39 -1.32 0.00 0.00 175.29 175.28 3i55 n GLU 54 N 2.84 0.32 -3.51 9.60 1.02 -1.26 -3.01 120.64 126.65 3i55 n GLU 54 Ca -0.17 0.14 -0.19 0.00 -0.02 0.00 0.00 57.16 56.92 3i55 n GLU 54 Cb 0.53 -1.68 0.08 0.00 -0.02 0.00 0.00 31.44 30.35 3i55 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i55 n ASP 55 N 0.38 -3.05 -3.03 1.62 8.00 -1.26 -4.97 116.55 114.24 3i55 n ASP 55 Ca 0.10 -0.63 0.02 0.00 0.71 0.00 0.00 54.79 54.99 3i55 n ASP 55 Cb 0.49 -4.97 -0.00 0.00 -0.02 0.00 0.00 41.12 36.62 3i55 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i55 s GLU 56 N -5.68 0.51 0.16 -1.24 2.12 -1.16 -5.02 118.70 108.39 3i55 s GLU 56 Ca 0.16 -0.10 -0.31 0.00 0.36 0.00 0.00 54.97 55.08 3i55 s GLU 56 Cb -0.07 0.08 -0.17 0.00 0.26 0.00 0.00 34.13 34.23 3i55 s GLU 56 CO 0.74 -0.76 0.71 2.41 -0.54 0.00 0.00 175.26 177.82 3i55 n THR 57 N 4.26 1.51 -3.67 -1.70 -1.04 -1.11 -4.53 114.28 108.00 3i55 n THR 57 Ca 0.08 -0.38 -0.38 0.00 -2.04 0.00 0.00 64.05 61.33 3i55 n THR 57 Cb 0.59 -0.13 -0.12 0.00 -1.82 0.00 0.00 70.33 68.86 3i55 n THR 57 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i55 s VAL 58 N -0.74 4.56 -0.18 12.58 1.01 0.07 -0.44 120.40 137.26 3i55 s VAL 58 Ca 0.70 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 3i55 s VAL 58 Cb -0.98 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3i55 s VAL 58 CO 0.56 0.11 0.04 -0.69 0.00 0.00 0.00 175.10 175.13 3i55 s VAL 59 N 1.61 4.64 -0.25 2.92 1.01 0.82 0.17 120.40 131.33 3i55 s VAL 59 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 3i55 s VAL 59 Cb -0.17 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3i55 s VAL 59 CO 0.06 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 174.86 3i55 s VAL 60 N 0.33 2.73 -1.40 2.92 1.01 0.16 -1.69 120.40 124.46 3i55 s VAL 60 Ca 0.02 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.74 3i55 s VAL 60 Cb -0.13 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3i55 s VAL 60 CO 0.01 0.18 2.19 -0.81 0.00 0.00 0.00 175.10 176.67 3i55 n PRO 61 N 4.63 2.74 0.00 2.72 -0.04 -1.26 -3.87 135.00 139.93 3i55 n PRO 61 Ca -0.16 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 3i55 n PRO 61 Cb 0.46 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 3i55 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i55 n GLY 62 N 4.17 -0.58 3.36 0.55 0.00 -1.26 -1.89 105.19 109.54 3i55 n GLY 62 Ca 0.52 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 3i55 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i55 s LYS 63 N -1.28 1.33 -0.17 1.61 2.20 0.17 -0.93 119.74 122.68 3i55 s LYS 63 Ca 0.00 -1.34 -0.03 0.00 -0.36 0.00 0.00 55.97 54.24 3i55 s LYS 63 Cb 0.00 -1.68 -0.02 0.00 -1.51 0.00 0.00 37.83 34.62 3i55 s LYS 63 CO 0.00 0.38 -0.05 0.08 -0.36 0.00 0.00 175.35 175.41 3i55 s VAL 64 N -1.33 3.65 0.00 4.02 1.01 0.31 -2.35 120.40 125.71 3i55 s VAL 64 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3i55 s VAL 64 Cb -0.09 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3i55 s VAL 64 CO 0.06 0.47 0.00 0.18 0.00 0.00 0.00 175.10 175.82 3i55 n LEU 65 N 3.89 0.00 -2.67 3.92 4.77 0.23 -1.68 117.00 125.45 3i55 n LEU 65 Ca -0.18 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.64 3i55 n LEU 65 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3i55 n LEU 65 CO 0.31 -0.41 -0.03 0.61 -1.33 0.00 0.00 177.39 176.55 3i55 n GLY 66 N 5.00 3.24 3.94 -0.72 0.00 -1.26 -3.60 105.19 111.78 3i55 n GLY 66 Ca 0.00 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 3i55 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i55 s SER 67 N -3.20 6.33 0.27 1.61 0.01 -1.26 -4.80 113.70 112.67 3i55 s SER 67 Ca 0.35 0.39 0.00 0.00 1.31 0.00 0.00 55.95 58.00 3i55 s SER 67 Cb 0.42 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.65 3i55 s SER 67 CO -0.05 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.03 3i55 n GLY 68 N -1.37 -2.00 3.80 3.44 0.00 -1.26 -1.77 105.19 106.04 3i55 n GLY 68 Ca -0.05 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 3i55 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i55 s VAL 69 N -2.26 4.57 -0.04 1.61 1.01 -1.26 -4.49 120.40 119.54 3i55 s VAL 69 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3i55 s VAL 69 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3i55 s VAL 69 CO 0.00 -0.04 -0.14 -0.22 0.00 0.00 0.00 175.10 174.70 3i55 s LEU 70 N -2.92 1.85 0.00 3.92 2.96 -1.26 -4.42 118.68 118.80 3i55 s LEU 70 Ca 0.31 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 3i55 s LEU 70 Cb -0.11 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.79 3i55 s LEU 70 CO 0.23 0.11 0.00 0.00 -1.32 0.00 0.00 176.35 175.38 3i55 n GLN 71 N 3.24 0.21 -1.63 1.98 6.02 -1.26 -4.82 117.38 121.11 3i55 n GLN 71 Ca -0.18 0.00 -0.49 0.00 -0.01 0.00 0.00 57.00 56.32 3i55 n GLN 71 Cb 0.53 -0.79 -0.05 0.00 1.02 0.00 0.00 30.24 30.95 3i55 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i55 n LYS 72 N -2.02 1.64 -1.35 -1.09 5.02 -1.26 -4.81 118.16 114.29 3i55 n LYS 72 Ca 0.00 0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 56.49 3i55 n LYS 72 Cb 0.29 -2.30 -0.02 0.00 -0.02 0.00 0.00 35.03 32.98 3i55 n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3i55 n ASP 73 N 3.02 4.43 -4.85 4.39 2.03 -1.20 -4.57 116.55 119.80 3i55 n ASP 73 Ca 0.18 -2.67 -0.26 0.00 0.52 0.00 0.00 54.79 52.55 3i55 n ASP 73 Cb 0.24 -1.40 -0.05 0.00 -0.72 0.00 0.00 41.12 39.19 3i55 n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3i55 s VAL 74 N 3.59 4.81 -0.29 5.18 -7.23 -1.26 -4.63 120.40 120.58 3i55 s VAL 74 Ca 0.53 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 3i55 s VAL 74 Cb 0.14 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 33.59 3i55 s VAL 74 CO -0.02 -0.09 0.18 -0.89 -0.31 0.00 0.00 175.10 173.97 3i55 s THR 75 N -1.73 5.06 -0.13 5.32 2.01 -1.26 -2.44 115.64 122.47 3i55 s THR 75 Ca 0.32 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.22 3i55 s THR 75 Cb -0.11 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 3i55 s THR 75 CO 0.25 0.19 0.12 -0.69 -0.69 0.00 0.00 174.62 173.80 3i55 s VAL 76 N 1.71 5.31 -0.14 3.82 1.01 -0.17 -0.75 120.40 131.20 3i55 s VAL 76 Ca 0.06 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3i55 s VAL 76 Cb -0.16 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.89 3i55 s VAL 76 CO 0.09 0.58 -0.21 0.00 0.00 0.00 0.00 175.10 175.56 3i55 s ALA 77 N -0.68 2.29 0.30 5.51 0.00 0.46 -0.37 121.76 129.27 3i55 s ALA 77 Ca 0.13 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 3i55 s ALA 77 Cb -0.12 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 3i55 s ALA 77 CO 0.03 -0.00 0.46 0.00 0.00 0.00 0.00 175.76 176.24 3i55 s ALA 78 N 0.77 0.40 0.18 0.00 0.00 -1.10 0.38 121.76 122.40 3i55 s ALA 78 Ca -0.08 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.67 3i55 s ALA 78 Cb -0.16 1.13 0.03 0.00 0.00 0.00 0.00 23.12 24.12 3i55 s ALA 78 CO -0.01 -0.80 1.42 0.28 0.00 0.00 0.00 175.76 176.65 3i55 h VAL 79 N 2.20 1.59 -1.71 0.00 2.07 -1.14 0.10 116.25 119.36 3i55 h VAL 79 Ca -0.28 -2.85 0.20 0.00 0.82 0.00 0.00 66.70 64.59 3i55 h VAL 79 Cb 1.24 2.54 -0.18 0.00 -1.52 0.00 0.00 31.29 33.37 3i55 h VAL 79 CO 0.39 0.81 0.71 -0.62 0.02 0.00 0.00 177.57 178.88 3i55 s ASP 80 N -6.78 -0.22 0.04 0.57 2.15 -1.17 -4.84 116.67 106.42 3i55 s ASP 80 Ca -0.00 0.03 0.03 0.00 0.43 0.00 0.00 52.55 53.04 3i55 s ASP 80 Cb 0.11 0.22 -0.02 0.00 -0.30 0.00 0.00 42.92 42.93 3i55 s ASP 80 CO 0.80 -0.35 -0.10 -0.36 -0.17 0.00 0.00 175.17 174.99 3i55 s PHE 81 N -2.50 0.85 0.47 -5.34 0.40 -1.26 -0.53 117.98 110.07 3i55 s PHE 81 Ca 0.07 -0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 55.80 3i55 s PHE 81 Cb -0.01 -0.51 -0.08 0.00 0.51 0.00 0.00 43.02 42.93 3i55 s PHE 81 CO -0.06 -0.02 1.06 -1.54 0.70 0.00 0.00 175.22 175.36 3i55 s SER 82 N -1.26 6.38 0.29 1.36 1.04 -0.68 -4.76 113.70 116.08 3i55 s SER 82 Ca -0.04 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.40 3i55 s SER 82 Cb -0.08 -2.57 0.68 0.00 0.10 0.00 0.00 66.02 64.15 3i55 s SER 82 CO 0.01 -0.75 1.62 1.23 0.98 0.00 0.00 173.24 176.32 3i55 h GLY 83 N 1.82 1.23 0.80 7.32 0.00 -1.99 -0.13 103.07 112.12 3i55 h GLY 83 Ca -0.49 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3i55 h GLY 83 CO 0.60 -0.41 -0.05 -0.84 0.00 0.00 0.00 176.54 175.83 3i55 h THR 84 N 0.11 1.01 -0.04 4.70 2.02 -1.96 -2.70 112.91 116.05 3i55 h THR 84 Ca 0.55 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3i55 h THR 84 Cb 1.10 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 3i55 h THR 84 CO -0.75 0.11 -0.23 0.00 0.37 0.00 0.00 175.52 175.01 3i55 h ALA 85 N 0.52 -0.64 0.00 6.16 0.00 -1.30 0.20 119.26 124.21 3i55 h ALA 85 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i55 h ALA 85 Cb 0.28 0.74 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i55 h ALA 85 CO 0.02 -0.72 0.39 1.49 0.00 0.00 0.00 179.25 180.44 3i55 h GLU 86 N -0.25 0.00 0.00 0.00 4.81 -1.28 -1.65 114.58 116.20 3i55 h GLU 86 Ca 0.01 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3i55 h GLU 86 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3i55 h GLU 86 CO -0.17 0.00 -0.73 1.15 -0.73 0.00 0.00 179.01 178.52 3i55 h THR 87 N 0.00 0.45 0.00 0.32 2.02 -0.56 -3.17 112.91 111.97 3i55 h THR 87 Ca 0.00 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.65 3i55 h THR 87 Cb 0.79 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3i55 h THR 87 CO 0.00 0.15 0.11 0.29 0.37 0.00 0.00 175.52 176.44 3i55 n LYS 88 N -4.56 0.00 -0.05 6.66 5.02 0.48 -2.74 118.16 122.97 3i55 n LYS 88 Ca -0.16 0.39 -0.04 0.00 -2.02 0.00 0.00 58.31 56.48 3i55 n LYS 88 Cb 0.42 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3i55 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i55 n ILE 89 N -1.39 0.96 0.31 -0.18 5.41 -0.78 -4.23 119.36 119.45 3i55 n ILE 89 Ca 0.00 0.30 0.09 0.00 1.00 0.00 0.00 62.75 64.14 3i55 n ILE 89 Cb 0.11 -2.09 0.50 0.00 -0.71 0.00 0.00 39.64 37.45 3i55 n ILE 89 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3i55 h ASP 90 N -0.67 0.00 0.13 4.38 3.32 -1.48 0.38 116.42 122.48 3i55 h ASP 90 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3i55 h ASP 90 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3i55 h ASP 90 CO 0.00 0.00 -0.06 1.56 -1.72 0.00 0.00 179.24 179.02 3i55 h GLN 91 N 0.00 -0.17 -0.02 3.56 4.20 -1.72 -3.29 115.11 117.67 3i55 h GLN 91 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3i55 h GLN 91 Cb 1.06 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3i55 h GLN 91 CO 0.00 0.12 -0.27 1.33 -0.67 0.00 0.00 178.83 179.34 3i55 n VAL 92 N -5.04 0.00 0.00 -0.54 0.24 0.61 -5.03 118.33 108.57 3i55 n VAL 92 Ca -0.09 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3i55 n VAL 92 Cb 0.20 1.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 3i55 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i55 n GLY 93 N 1.36 1.88 3.04 7.63 0.00 0.10 -3.23 105.19 115.97 3i55 n GLY 93 Ca 0.11 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 3i55 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i55 s GLU 94 N 4.07 0.19 -0.28 1.61 2.12 -1.02 -4.18 118.70 121.20 3i55 s GLU 94 Ca 0.00 0.49 -0.09 0.00 0.36 0.00 0.00 54.97 55.73 3i55 s GLU 94 Cb 0.00 -0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.25 3i55 s GLU 94 CO 0.00 -0.16 0.14 0.00 -0.54 0.00 0.00 175.26 174.70 3i55 s ALA 95 N 1.18 3.31 0.17 6.30 0.00 -1.26 -1.00 121.76 130.47 3i55 s ALA 95 Ca -0.09 -1.22 0.11 0.00 0.00 0.00 0.00 51.96 50.76 3i55 s ALA 95 Cb -0.10 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 3i55 s ALA 95 CO -0.08 -0.67 -0.22 0.08 0.00 0.00 0.00 175.76 174.87 3i55 s VAL 96 N 1.66 2.49 0.19 0.00 1.01 0.50 -4.97 120.40 121.28 3i55 s VAL 96 Ca 0.06 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 59.85 3i55 s VAL 96 Cb -0.16 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.96 3i55 s VAL 96 CO 0.07 -0.06 1.01 -0.94 0.00 0.00 0.00 175.10 175.18 3i55 s SER 97 N -2.53 7.45 0.00 3.32 1.04 -1.26 -2.71 113.70 119.01 3i55 s SER 97 Ca 0.20 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.61 3i55 s SER 97 Cb -0.09 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3i55 s SER 97 CO 0.10 -0.05 0.74 -0.11 0.98 0.00 0.00 173.24 174.90 3i55 n LEU 98 N 2.11 0.00 -0.02 2.42 7.94 0.02 -0.35 117.00 129.12 3i55 n LEU 98 Ca 0.01 0.25 -0.14 0.00 -1.11 0.00 0.00 56.01 55.02 3i55 n LEU 98 Cb 0.47 -0.25 -0.14 0.00 0.53 0.00 0.00 43.42 44.03 3i55 n LEU 98 CO 0.52 -0.25 -0.69 -0.62 -1.11 0.00 0.00 177.39 175.24 3i55 n GLU 99 N -1.24 0.69 0.09 1.96 4.71 -1.26 -3.31 120.64 122.27 3i55 n GLU 99 Ca 0.00 0.27 -0.12 0.00 -0.01 0.00 0.00 57.16 57.30 3i55 n GLU 99 Cb 0.01 -1.74 -0.08 0.00 -1.01 0.00 0.00 31.44 28.62 3i55 n GLU 99 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 3i55 h GLN 100 N 0.03 -0.28 -0.95 3.49 4.20 -1.07 -3.10 115.11 117.43 3i55 h GLN 100 Ca -0.36 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.45 3i55 h GLN 100 Cb 2.03 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 29.76 3i55 h GLN 100 CO 0.08 0.10 -0.56 0.00 -0.67 0.00 0.00 178.83 177.78 3i55 n ALA 101 N -2.53 -0.61 -0.31 3.87 0.00 -0.81 0.17 120.51 120.29 3i55 n ALA 101 Ca -0.08 0.81 0.16 0.00 0.00 0.00 0.00 53.44 54.33 3i55 n ALA 101 Cb 0.26 -0.13 0.34 0.00 0.00 0.00 0.00 19.45 19.92 3i55 n ALA 101 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i55 h ILE 102 N 0.00 0.24 0.00 0.00 2.04 -1.59 0.47 117.51 118.68 3i55 h ILE 102 Ca 0.15 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.85 3i55 h ILE 102 Cb 0.39 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3i55 h ILE 102 CO -0.89 0.03 -0.50 -0.08 0.00 0.00 0.00 178.15 176.71 3i55 h GLU 103 N 0.18 0.00 0.00 2.37 4.81 0.18 -2.40 114.58 119.71 3i55 h GLU 103 Ca 0.61 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.69 3i55 h GLU 103 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 3i55 h GLU 103 CO -0.70 0.50 -1.14 -0.91 -0.73 0.00 0.00 179.01 176.03 3i55 h ASN 104 N 0.00 0.00 -1.75 1.04 2.35 0.17 -3.41 115.58 113.98 3i55 h ASN 104 Ca -0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.30 3i55 h ASN 104 Cb 0.90 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.89 3i55 h ASN 104 CO 0.06 0.54 -1.11 -3.20 -1.65 0.00 0.00 177.43 172.07 3i55 n ASN 105 N -2.98 0.49 0.13 5.81 5.15 0.61 -4.93 115.26 119.53 3i55 n ASN 105 Ca -0.06 -3.08 0.07 0.00 -0.60 0.00 0.00 54.58 50.91 3i55 n ASN 105 Cb 0.80 -0.33 0.38 0.00 -0.53 0.00 0.00 39.78 40.10 3i55 n ASN 105 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3i55 n PRO 106 N 0.28 0.09 0.03 1.20 -0.04 -0.91 0.52 135.00 136.17 3i55 n PRO 106 Ca 0.22 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 64.38 3i55 n PRO 106 Cb 0.67 -1.92 0.41 0.00 -0.04 0.00 0.00 33.50 32.62 3i55 n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i55 n GLU 107 N -2.00 0.09 -3.68 0.54 4.71 -1.26 -2.18 120.64 116.86 3i55 n GLU 107 Ca -0.01 0.05 -0.23 0.00 -0.01 0.00 0.00 57.16 56.96 3i55 n GLU 107 Cb 0.14 -1.58 0.03 0.00 -1.01 0.00 0.00 31.44 29.02 3i55 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i55 n GLY 108 N 1.44 -0.50 3.88 0.62 0.00 0.18 -3.26 105.19 107.55 3i55 n GLY 108 Ca 0.06 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 3i55 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i55 s SER 109 N -4.11 5.89 -1.39 1.61 1.04 -1.26 -4.64 113.70 110.83 3i55 s SER 109 Ca 0.13 -0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.40 3i55 s SER 109 Cb -0.04 -1.63 0.01 0.00 0.10 0.00 0.00 66.02 64.46 3i55 s SER 109 CO 0.82 -0.00 0.35 1.41 0.98 0.00 0.00 173.24 176.80 3i55 n HIS 110 N -0.91 -1.46 -3.97 5.02 8.25 -1.26 -4.89 115.22 116.00 3i55 n HIS 110 Ca -0.08 0.50 -0.21 0.00 -0.26 0.00 0.00 57.72 57.68 3i55 n HIS 110 Cb 0.56 -3.11 -0.17 0.00 1.12 0.00 0.00 29.99 28.39 3i55 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i55 s VAL 111 N -3.99 0.42 0.44 1.59 0.11 -1.26 -2.76 120.40 114.95 3i55 s VAL 111 Ca 0.16 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.13 3i55 s VAL 111 Cb -0.08 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 3i55 s VAL 111 CO 0.95 0.23 0.78 -0.60 -3.33 0.00 0.00 175.10 173.13 3i55 s ARG 112 N 1.36 3.67 -0.21 1.54 6.06 0.41 -4.91 118.95 126.87 3i55 s ARG 112 Ca -0.04 0.35 0.01 0.00 -2.50 0.00 0.00 55.73 53.55 3i55 s ARG 112 Cb -0.13 -2.38 0.05 0.00 0.06 0.00 0.00 34.95 32.54 3i55 s ARG 112 CO -0.02 -0.11 -0.10 0.08 -2.50 0.00 0.00 175.30 172.65 3i55 s VAL 113 N -2.53 1.72 -0.02 7.11 1.01 -1.26 -0.13 120.40 126.30 3i55 s VAL 113 Ca 0.49 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3i55 s VAL 113 Cb -0.10 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3i55 s VAL 113 CO 0.37 0.10 -0.16 -0.63 0.00 0.00 0.00 175.10 174.78 3i55 s ILE 114 N 1.35 2.89 0.00 2.22 -1.09 -0.68 -4.96 121.20 120.92 3i55 s ILE 114 Ca -0.03 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3i55 s ILE 114 Cb -0.17 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 3i55 s ILE 114 CO -0.08 0.52 0.00 -2.11 -1.23 0.00 0.00 174.94 172.04