#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ict n ALA 4 N 0.00 0.00 -0.62 7.82 0.00 -1.26 -4.73 120.51 121.73 2ict n ALA 4 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2ict n ALA 4 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.82 2ict n ALA 4 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ict n ASN 5 N 1.47 4.82 -3.90 0.00 3.02 -1.26 -4.76 115.26 114.64 2ict n ASN 5 Ca 0.00 -2.44 -0.30 0.00 -0.03 0.00 0.00 54.58 51.81 2ict n ASN 5 Cb 0.00 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 38.45 2ict n ASN 5 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2ict s HIS 6 N -1.84 3.04 0.55 3.10 3.76 -1.26 -5.10 115.29 117.54 2ict s HIS 6 Ca 0.52 -3.08 -0.21 0.00 -0.15 0.00 0.00 55.06 52.14 2ict s HIS 6 Cb 0.33 -2.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.32 2ict s HIS 6 CO 0.25 -0.72 1.25 -2.30 -0.85 0.00 0.00 174.74 172.37 2ict n PRO 7 N 3.03 1.46 -2.12 8.40 -0.02 -1.26 -4.95 135.00 139.53 2ict n PRO 7 Ca 0.07 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 2ict n PRO 7 Cb 0.33 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 2ict n PRO 7 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ict s ARG 8 N -2.83 4.32 0.18 -0.52 1.81 -1.26 -4.91 118.95 115.75 2ict s ARG 8 Ca 0.73 2.15 -0.13 0.00 -1.72 0.00 0.00 55.73 56.76 2ict s ARG 8 Cb -0.43 -3.19 0.18 0.00 -0.45 0.00 0.00 34.95 31.06 2ict s ARG 8 CO 0.49 -0.39 1.74 -1.35 -0.68 0.00 0.00 175.30 175.10 2ict h PRO 9 N 5.95 0.31 -0.44 3.54 0.11 -1.92 -1.04 132.00 138.50 2ict h PRO 9 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ict h PRO 9 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2ict h PRO 9 CO 0.82 0.20 0.26 0.78 -0.21 0.00 0.00 178.00 179.85 2ict h GLY 10 N 0.32 0.64 1.17 -0.55 0.00 -1.76 -1.86 103.07 101.02 2ict h GLY 10 Ca 0.24 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 2ict h GLY 10 CO -0.27 0.25 -0.30 -0.55 0.00 0.00 0.00 176.54 175.67 2ict h ASP 11 N 0.61 0.97 -0.61 0.19 3.32 -1.39 -1.25 116.42 118.26 2ict h ASP 11 Ca 0.16 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 2ict h ASP 11 Cb -0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2ict h ASP 11 CO -0.03 1.19 0.15 0.40 -1.72 0.00 0.00 179.24 179.23 2ict h ILE 12 N 0.78 1.25 -0.09 0.35 1.08 -0.74 0.22 117.51 120.37 2ict h ILE 12 Ca 0.08 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 2ict h ILE 12 Cb 0.88 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 35.30 2ict h ILE 12 CO 0.08 0.34 0.03 0.40 -0.69 0.00 0.00 178.15 178.31 2ict h ILE 13 N 0.89 1.14 -0.87 -0.67 2.04 -1.23 -1.29 117.51 117.51 2ict h ILE 13 Ca 0.19 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2ict h ILE 13 Cb 0.35 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2ict h ILE 13 CO 0.00 0.12 0.54 -0.61 0.00 0.00 0.00 178.15 178.20 2ict h GLN 14 N -0.02 1.17 -0.91 2.37 5.75 -0.98 -0.53 115.11 121.96 2ict h GLN 14 Ca 0.03 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2ict h GLN 14 Cb 0.16 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 2ict h GLN 14 CO -0.00 0.80 0.54 1.49 -2.65 0.00 0.00 178.83 179.01 2ict h GLU 15 N 1.19 1.25 -0.48 1.69 4.81 -0.27 -0.11 114.58 122.66 2ict h GLU 15 Ca 0.31 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2ict h GLU 15 Cb -0.08 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.02 2ict h GLU 15 CO -0.06 0.88 0.03 0.77 -0.73 0.00 0.00 179.01 179.90 2ict h SER 16 N 1.26 0.81 -0.46 1.04 0.02 -0.11 -2.38 113.55 113.73 2ict h SER 16 Ca 0.33 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2ict h SER 16 Cb -0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2ict h SER 16 CO -0.06 0.90 0.11 -0.07 -1.14 0.00 0.00 176.83 176.57 2ict h LEU 17 N 0.69 0.75 -0.58 5.07 3.38 -0.60 -1.94 115.31 122.08 2ict h LEU 17 Ca 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ict h LEU 17 Cb 0.47 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2ict h LEU 17 CO 0.02 0.75 0.23 0.44 0.09 0.00 0.00 178.44 179.97 2ict h ASP 18 N 0.78 0.80 0.42 -0.43 3.32 -0.79 0.23 116.42 120.75 2ict h ASP 18 Ca 0.17 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2ict h ASP 18 Cb 0.31 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2ict h ASP 18 CO 0.00 0.75 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.66 2ict h GLU 19 N 0.80 0.00 0.00 3.56 5.08 -1.04 -2.70 114.58 120.28 2ict h GLU 19 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2ict h GLU 19 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ict h GLU 19 CO -0.02 0.28 -0.65 1.28 -1.00 0.00 0.00 179.01 178.90 2ict n LEU 20 N -3.91 0.60 -2.87 1.33 4.77 -0.77 -4.97 117.00 111.19 2ict n LEU 20 Ca -0.02 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.75 2ict n LEU 20 Cb 0.36 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2ict n LEU 20 CO 0.36 0.11 0.16 0.59 -1.33 0.00 0.00 177.39 177.28 2ict n ASN 21 N -1.63 -4.52 -4.47 -1.43 3.02 -0.01 -5.02 115.26 101.21 2ict n ASN 21 Ca 0.05 -0.43 -0.33 0.00 -0.03 0.00 0.00 54.58 53.83 2ict n ASN 21 Cb 0.36 -4.00 -0.13 0.00 -0.61 0.00 0.00 39.78 35.40 2ict n ASN 21 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ict s VAL 22 N -3.25 3.45 0.74 2.41 1.01 -0.69 -5.05 120.40 119.02 2ict s VAL 22 Ca 0.34 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 2ict s VAL 22 Cb -0.15 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.83 2ict s VAL 22 CO 0.56 0.54 1.11 -0.94 0.00 0.00 0.00 175.10 176.36 2ict s SER 23 N -0.02 4.96 0.13 3.32 1.04 -1.26 -4.64 113.70 117.24 2ict s SER 23 Ca -0.01 0.85 -0.18 0.00 0.48 0.00 0.00 55.95 57.09 2ict s SER 23 Cb -0.14 -1.51 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 2ict s SER 23 CO 0.03 -1.60 1.76 0.25 0.98 0.00 0.00 173.24 174.67 2ict h LEU 24 N -0.78 0.17 -1.23 2.42 6.46 -1.99 -0.30 115.31 120.06 2ict h LEU 24 Ca -0.45 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.25 2ict h LEU 24 Cb 1.30 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 2ict h LEU 24 CO 0.64 0.13 -0.33 0.03 -0.62 0.00 0.00 178.44 178.29 2ict h ARG 25 N 0.26 0.00 -0.10 1.25 3.08 -1.94 0.11 114.38 117.03 2ict h ARG 25 Ca 0.11 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.96 2ict h ARG 25 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ict h ARG 25 CO -0.08 0.33 -0.74 0.93 -1.07 0.00 0.00 179.97 179.35 2ict h GLU 26 N 0.00 0.50 -0.23 0.04 5.08 -1.84 -0.74 114.58 117.40 2ict h GLU 26 Ca -0.00 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 2ict h GLU 26 Cb 0.71 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2ict h GLU 26 CO 0.04 1.04 0.01 0.35 -1.00 0.00 0.00 179.01 179.45 2ict h PHE 27 N 0.35 0.42 -0.33 4.33 3.57 -0.61 -0.81 116.94 123.87 2ict h PHE 27 Ca -0.03 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.43 2ict h PHE 27 Cb 1.32 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 2ict h PHE 27 CO 0.05 0.55 0.14 0.00 -2.23 0.00 0.00 178.31 176.83 2ict h ALA 28 N 0.81 0.39 -0.78 2.41 0.00 -0.65 -2.46 119.26 118.98 2ict h ALA 28 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ict h ALA 28 Cb 0.38 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2ict h ALA 28 CO 0.01 -0.25 0.47 -0.09 0.00 0.00 0.00 179.25 179.39 2ict h ARG 29 N 0.30 1.06 -1.33 0.00 2.43 -1.04 -0.77 114.38 115.03 2ict h ARG 29 Ca 0.14 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2ict h ARG 29 Cb 0.08 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2ict h ARG 29 CO -0.12 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.08 2ict n ALA 30 N -2.34 1.67 -2.66 2.80 0.00 -0.32 -4.68 120.51 114.99 2ict n ALA 30 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 2ict n ALA 30 Cb 0.05 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.56 2ict n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ict n GLU 32 N 0.73 0.69 -4.24 0.00 1.02 -0.40 -4.95 120.64 113.49 2ict n GLU 32 Ca 0.00 -1.09 -0.16 0.00 -0.02 0.00 0.00 57.16 55.89 2ict n GLU 32 Cb 0.12 0.04 -0.11 0.00 -0.02 0.00 0.00 31.44 31.47 2ict n GLU 32 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2ict s ILE 33 N 0.10 1.24 0.58 -3.67 -4.36 -0.59 -5.14 121.20 109.36 2ict s ILE 33 Ca 0.10 -1.82 -0.18 0.00 -0.26 0.00 0.00 60.65 58.49 2ict s ILE 33 Cb 0.23 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 2ict s ILE 33 CO -0.06 -0.54 1.11 0.00 0.24 0.00 0.00 174.94 175.69 2ict s ALA 34 N -2.56 2.64 0.33 2.27 0.00 -1.26 -4.29 121.76 118.89 2ict s ALA 34 Ca 0.11 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.82 2ict s ALA 34 Cb -0.02 -3.33 0.73 0.00 0.00 0.00 0.00 23.12 20.50 2ict s ALA 34 CO 0.02 -0.89 1.86 -1.35 0.00 0.00 0.00 175.76 175.40 2ict h PRO 35 N 0.79 0.77 -0.74 0.00 0.11 -1.94 -0.90 132.00 130.09 2ict h PRO 35 Ca -0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2ict h PRO 35 Cb 1.25 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2ict h PRO 35 CO 0.56 0.51 0.39 0.66 -0.21 0.00 0.00 178.00 179.91 2ict h SER 36 N 0.79 0.94 -0.61 -2.05 4.64 -1.99 0.04 113.55 115.31 2ict h SER 36 Ca 0.47 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.64 2ict h SER 36 Cb 0.65 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2ict h SER 36 CO -0.23 0.78 0.23 0.74 -0.87 0.00 0.00 176.83 177.48 2ict h THR 37 N 1.03 1.23 -0.50 2.95 2.02 -1.58 -1.89 112.91 116.17 2ict h THR 37 Ca 0.26 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2ict h THR 37 Cb 0.06 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2ict h THR 37 CO -0.04 0.29 0.25 0.00 0.37 0.00 0.00 175.52 176.39 2ict h ALA 38 N 1.09 0.64 -0.38 6.16 0.00 -0.71 -2.09 119.26 123.97 2ict h ALA 38 Ca 0.20 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2ict h ALA 38 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2ict h ALA 38 CO -0.01 0.20 0.20 0.77 0.00 0.00 0.00 179.25 180.40 2ict h SER 39 N 0.66 0.30 -0.96 0.00 0.02 -0.66 -1.26 113.55 111.65 2ict h SER 39 Ca 0.17 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2ict h SER 39 Cb 0.10 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 2ict h SER 39 CO -0.02 0.22 0.58 0.03 -1.14 0.00 0.00 176.83 176.50 2ict h ARG 40 N 0.40 1.29 -0.43 3.45 3.08 -1.17 -0.02 114.38 120.99 2ict h ARG 40 Ca 0.16 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2ict h ARG 40 Cb 0.05 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2ict h ARG 40 CO -0.10 0.90 0.13 1.25 -1.07 0.00 0.00 179.97 181.08 2ict h LEU 41 N 1.32 0.63 -0.49 3.04 5.85 -0.94 0.11 115.31 124.83 2ict h LEU 41 Ca 0.34 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 2ict h LEU 41 Cb -0.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2ict h LEU 41 CO -0.07 0.68 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.28 2ict h LEU 42 N 0.55 0.89 -0.32 2.25 3.38 -0.87 -3.14 115.31 118.06 2ict h LEU 42 Ca 0.14 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2ict h LEU 42 Cb 0.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2ict h LEU 42 CO -0.00 1.16 -0.19 0.35 0.09 0.00 0.00 178.44 179.84 2ict n THR 43 N -4.06 0.00 -0.98 0.22 -2.24 -0.05 -4.11 114.28 103.05 2ict n THR 43 Ca -0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2ict n THR 43 Cb 0.53 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2ict n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ict n GLY 44 N 1.33 0.59 0.00 3.38 0.00 -0.14 -4.88 105.19 105.46 2ict n GLY 44 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2ict n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ict n LYS 45 N -2.82 0.43 -3.74 1.61 5.02 -0.22 -4.54 118.16 113.88 2ict n LYS 45 Ca 0.00 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 2ict n LYS 45 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 2ict n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ict s ALA 46 N -2.38 -0.32 0.65 7.82 0.00 -1.09 -4.99 121.76 121.45 2ict s ALA 46 Ca 0.24 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.78 2ict s ALA 46 Cb 0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2ict s ALA 46 CO 0.30 -0.17 1.16 0.00 0.00 0.00 0.00 175.76 177.05 2ict s ALA 47 N 1.20 2.42 -0.48 0.00 0.00 -1.26 -4.47 121.76 119.17 2ict s ALA 47 Ca -0.09 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 2ict s ALA 47 Cb -0.11 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2ict s ALA 47 CO -0.07 -1.34 1.09 -1.17 0.00 0.00 0.00 175.76 174.27 2ict s LEU 48 N -4.61 3.71 0.59 0.00 0.20 -1.26 -5.00 118.68 112.31 2ict s LEU 48 Ca 0.72 0.34 -0.02 0.00 0.69 0.00 0.00 54.13 55.86 2ict s LEU 48 Cb -0.26 -3.43 0.03 0.00 -0.43 0.00 0.00 46.19 42.11 2ict s LEU 48 CO 0.38 -1.22 0.85 0.42 -0.29 0.00 0.00 176.35 176.49 2ict s THR 49 N 4.32 2.87 0.31 3.68 -4.23 -1.26 -4.88 115.64 116.46 2ict s THR 49 Ca 0.45 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 2ict s THR 49 Cb -0.08 -3.13 0.29 0.00 1.34 0.00 0.00 72.50 70.92 2ict s THR 49 CO 0.30 -0.11 1.90 -0.65 -0.54 0.00 0.00 174.62 175.53 2ict h PRO 50 N -0.12 0.92 0.00 3.99 0.11 -1.98 0.12 132.00 135.05 2ict h PRO 50 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ict h PRO 50 Cb 1.29 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2ict h PRO 50 CO 0.56 0.61 0.00 -1.91 -0.21 0.00 0.00 178.00 177.05 2ict n GLU 51 N -4.51 0.00 0.00 1.05 2.13 -1.26 -1.53 120.64 116.52 2ict n GLU 51 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2ict n GLU 51 Cb 0.25 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 30.97 2ict n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ict n ALA 53 N 0.49 0.00 -0.08 4.31 0.00 0.43 -2.31 120.51 123.35 2ict n ALA 53 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2ict n ALA 53 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2ict n ALA 53 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ict h ILE 54 N 0.00 1.23 -0.53 0.00 2.04 -1.54 -1.78 117.51 116.94 2ict h ILE 54 Ca 0.00 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 2ict h ILE 54 Cb 0.00 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2ict h ILE 54 CO 0.00 0.25 0.24 0.11 0.00 0.00 0.00 178.15 178.75 2ict h LYS 55 N 0.20 0.77 -0.36 2.37 1.57 -1.73 -2.74 116.57 116.65 2ict h LYS 55 Ca 0.07 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2ict h LYS 55 Cb 0.34 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2ict h LYS 55 CO 0.01 0.65 0.12 -0.07 -0.57 0.00 0.00 179.45 179.59 2ict h LEU 56 N 0.71 0.47 -1.21 2.94 3.38 -1.82 -0.82 115.31 118.96 2ict h LEU 56 Ca 0.18 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2ict h LEU 56 Cb 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2ict h LEU 56 CO -0.02 0.45 0.16 0.77 0.09 0.00 0.00 178.44 179.89 2ict h SER 57 N 0.52 0.65 0.01 -0.43 4.64 -1.02 0.67 113.55 118.58 2ict h SER 57 Ca 0.13 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2ict h SER 57 Cb 0.15 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2ict h SER 57 CO -0.01 0.61 -0.00 0.58 -0.87 0.00 0.00 176.83 177.14 2ict h VAL 58 N 0.70 1.41 -0.25 0.95 2.07 -1.30 -3.11 116.25 116.72 2ict h VAL 58 Ca 0.16 -2.01 -0.20 0.00 0.82 0.00 0.00 66.70 65.47 2ict h VAL 58 Cb 0.19 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2ict h VAL 58 CO -0.01 0.47 -0.62 0.58 0.02 0.00 0.00 177.57 178.01 2ict h VAL 59 N -0.98 1.28 0.00 2.57 2.07 -1.15 -3.39 116.25 116.64 2ict h VAL 59 Ca -0.00 -1.80 -0.29 0.00 0.82 0.00 0.00 66.70 65.43 2ict h VAL 59 Cb 0.78 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 2ict h VAL 59 CO 0.00 0.58 -1.91 -0.38 0.02 0.00 0.00 177.57 175.88 2ict n ILE 60 N -3.98 1.37 -0.55 4.57 2.08 0.12 -5.07 119.36 117.89 2ict n ILE 60 Ca -0.05 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.07 2ict n ILE 60 Cb 0.66 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 2ict n ILE 60 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ict n GLY 61 N 1.56 0.57 7.00 7.39 0.00 -0.55 -5.03 105.19 116.12 2ict n GLY 61 Ca -0.37 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.84 2ict n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ict n SER 62 N 3.00 -3.46 -4.80 1.61 2.88 -1.26 -4.04 113.62 107.56 2ict n SER 62 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 2ict n SER 62 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2ict n SER 62 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ict s SER 63 N -4.00 5.43 0.35 -3.46 1.04 -1.26 -4.64 113.70 107.15 2ict s SER 63 Ca 0.00 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.21 2ict s SER 63 Cb 0.00 -1.36 0.67 0.00 0.10 0.00 0.00 66.02 65.43 2ict s SER 63 CO 0.00 -0.01 1.96 -0.65 0.98 0.00 0.00 173.24 175.53 2ict h PRO 64 N 1.78 0.82 -1.84 4.02 0.11 -1.90 -2.99 132.00 132.00 2ict h PRO 64 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2ict h PRO 64 Cb 1.23 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2ict h PRO 64 CO 0.61 0.54 0.00 0.94 -0.21 0.00 0.00 178.00 179.88 2ict n GLN 65 N -4.47 0.27 0.00 1.05 -0.06 -1.26 -1.74 117.38 111.18 2ict n GLN 65 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 2ict n GLN 65 Cb 0.17 -1.36 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 2ict n GLN 65 CO 0.00 0.00 0.00 0.91 -0.20 0.00 0.00 177.06 177.77 2ict n TRP 67 N 1.29 0.00 -0.07 3.69 7.02 -1.13 -0.24 117.44 128.00 2ict n TRP 67 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 2ict n TRP 67 Cb 0.14 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.13 2ict n TRP 67 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2ict h LEU 68 N 0.00 0.74 -0.83 -0.99 3.38 -1.63 -2.69 115.31 113.29 2ict h LEU 68 Ca 0.00 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.76 2ict h LEU 68 Cb 0.00 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 2ict h LEU 68 CO 0.00 0.96 0.51 0.78 0.09 0.00 0.00 178.44 180.78 2ict h ASN 69 N 0.63 0.78 -0.59 -0.43 -0.26 -0.88 0.31 115.58 115.14 2ict h ASN 69 Ca 0.08 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.86 2ict h ASN 69 Cb 0.75 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 2ict h ASN 69 CO 0.06 0.50 0.38 -0.07 -1.06 0.00 0.00 177.43 177.24 2ict h LEU 70 N 0.92 0.64 -0.43 1.61 3.38 -1.74 -2.53 115.31 117.15 2ict h LEU 70 Ca 0.37 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 2ict h LEU 70 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2ict h LEU 70 CO -0.18 0.45 -0.43 -0.61 0.09 0.00 0.00 178.44 177.77 2ict h GLN 71 N 0.76 0.85 -0.92 1.13 5.75 -1.03 -3.19 115.11 118.46 2ict h GLN 71 Ca 0.23 -0.47 0.07 0.00 -0.15 0.00 0.00 58.65 58.33 2ict h GLN 71 Cb -0.03 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 2ict h GLN 71 CO -0.07 1.11 0.60 -0.91 -2.65 0.00 0.00 178.83 176.90 2ict h ASN 72 N 0.69 0.92 -0.60 -0.69 2.35 -0.07 0.00 115.58 118.17 2ict h ASN 72 Ca 0.05 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 2ict h ASN 72 Cb 1.01 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.13 2ict h ASN 72 CO 0.10 0.58 0.29 0.00 -1.65 0.00 0.00 177.43 176.74 2ict h ALA 73 N 1.51 0.79 0.00 -0.83 0.00 -1.44 0.40 119.26 119.69 2ict h ALA 73 Ca 0.40 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.16 2ict h ALA 73 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ict h ALA 73 CO -0.16 -0.09 -0.88 -1.49 0.00 0.00 0.00 179.25 176.64 2ict h TRP 74 N 0.52 0.28 -0.12 0.00 4.06 -1.42 -1.78 115.95 117.49 2ict h TRP 74 Ca 0.28 -0.16 -0.12 0.00 2.06 0.00 0.00 58.89 60.96 2ict h TRP 74 Cb 0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 2ict h TRP 74 CO -0.12 0.97 -0.45 0.77 -3.56 0.00 0.00 178.44 176.05 2ict h SER 75 N 0.10 0.31 -0.28 -3.49 0.02 -0.42 -1.92 113.55 107.87 2ict h SER 75 Ca -0.04 -0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.59 2ict h SER 75 Cb 1.51 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 2ict h SER 75 CO 0.13 0.72 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.95 2ict h LEU 76 N 0.23 0.96 -0.98 5.07 3.38 -0.14 -1.78 115.31 122.06 2ict h LEU 76 Ca 0.02 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2ict h LEU 76 Cb 0.89 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2ict h LEU 76 CO 0.07 1.30 0.26 0.00 0.09 0.00 0.00 178.44 180.17 2ict h ALA 77 N 0.72 1.19 -0.04 1.53 0.00 -1.10 -0.58 119.26 120.99 2ict h ALA 77 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2ict h ALA 77 Cb 1.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ict h ALA 77 CO 0.12 0.58 -0.04 1.49 0.00 0.00 0.00 179.25 181.41 2ict h GLU 78 N 0.97 0.09 -0.55 0.00 4.57 -1.27 -3.15 114.58 115.23 2ict h GLU 78 Ca 0.23 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.40 2ict h GLU 78 Cb 0.20 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2ict h GLU 78 CO -0.02 0.55 0.37 0.00 -1.18 0.00 0.00 179.01 178.73 2ict h ALA 79 N 0.54 1.76 -0.81 2.92 0.00 -1.15 -2.00 119.26 120.51 2ict h ALA 79 Ca 0.01 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2ict h ALA 79 Cb 0.53 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2ict h ALA 79 CO 0.01 0.17 0.53 1.49 0.00 0.00 0.00 179.25 181.45 2ict h GLU 80 N 0.60 0.60 0.00 0.00 4.81 -1.06 0.23 114.58 119.76 2ict h GLU 80 Ca 0.23 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2ict h GLU 80 Cb 0.15 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2ict h GLU 80 CO -0.06 0.40 0.00 0.87 -0.73 0.00 0.00 179.01 179.49 2ict h LYS 81 N 0.62 0.00 -0.00 1.92 1.57 -1.42 -3.19 116.57 116.06 2ict h LYS 81 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2ict h LYS 81 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2ict h LYS 81 CO -0.15 0.00 -0.16 -2.37 -0.57 0.00 0.00 179.45 176.20 2ict n THR 82 N -2.88 0.00 -3.81 -0.16 5.66 -0.12 -5.00 114.28 107.97 2ict n THR 82 Ca 0.01 -0.42 -0.37 0.00 -3.05 0.00 0.00 64.05 60.22 2ict n THR 82 Cb 0.29 1.05 -0.06 0.00 -1.55 0.00 0.00 70.33 70.06 2ict n THR 82 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2ict s VAL 83 N -1.13 5.44 -0.34 1.08 1.01 -0.13 -5.07 120.40 121.26 2ict s VAL 83 Ca 0.04 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 2ict s VAL 83 Cb 0.05 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 33.02 2ict s VAL 83 CO 0.17 0.57 0.10 -0.62 0.00 0.00 0.00 175.10 175.33 2ict s ASP 84 N -0.70 5.30 -0.03 3.32 -1.08 -1.26 -4.90 116.67 117.32 2ict s ASP 84 Ca 0.14 -1.16 0.07 0.00 -0.52 0.00 0.00 52.55 51.08 2ict s ASP 84 Cb -0.12 -1.86 0.17 0.00 -1.46 0.00 0.00 42.92 39.64 2ict s ASP 84 CO 0.04 -0.33 1.13 1.33 0.52 0.00 0.00 175.17 177.85 2ict n VAL 85 N 4.80 1.21 0.08 1.11 0.24 -1.26 -4.75 118.33 119.76 2ict n VAL 85 Ca -0.12 -1.23 0.17 0.00 -2.04 0.00 0.00 64.34 61.12 2ict n VAL 85 Cb 0.44 0.35 0.70 0.00 -1.47 0.00 0.00 33.84 33.86 2ict n VAL 85 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2ict h SER 86 N 0.73 0.00 -0.01 -1.34 4.64 -2.04 -2.31 113.55 113.22 2ict h SER 86 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ict h SER 86 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2ict h SER 86 CO 0.02 0.00 -0.20 0.54 -0.87 0.00 0.00 176.83 176.32 2ict n ARG 87 N -4.32 1.61 -2.52 4.77 1.74 -1.26 -5.01 116.66 111.67 2ict n ARG 87 Ca 0.06 -0.88 -0.37 0.00 -0.77 0.00 0.00 57.85 55.90 2ict n ARG 87 Cb 0.46 -1.20 -0.04 0.00 -1.02 0.00 0.00 32.46 30.66 2ict n ARG 87 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ict s LEU 88 N -1.64 4.16 0.03 0.55 1.43 -0.87 -5.06 118.68 117.28 2ict s LEU 88 Ca 0.12 2.07 0.02 0.00 -1.03 0.00 0.00 54.13 55.32 2ict s LEU 88 Cb 0.11 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 2ict s LEU 88 CO 0.29 -0.49 -0.08 -0.13 0.23 0.00 0.00 176.35 176.17 2ict s ARG 89 N -2.43 0.53 0.22 1.70 1.81 -1.26 -5.08 118.95 114.44 2ict s ARG 89 Ca 0.57 -0.57 -0.31 0.00 -1.72 0.00 0.00 55.73 53.70 2ict s ARG 89 Cb -0.23 -0.39 -0.11 0.00 -0.45 0.00 0.00 34.95 33.77 2ict s ARG 89 CO 0.29 0.09 1.59 0.50 -0.68 0.00 0.00 175.30 177.09 2ict s ARG 90 N -1.05 4.18 0.34 3.54 6.06 -1.26 -4.97 118.95 125.78 2ict s ARG 90 Ca -0.05 2.46 -0.26 0.00 -2.50 0.00 0.00 55.73 55.38 2ict s ARG 90 Cb -0.07 -3.09 -0.09 0.00 0.06 0.00 0.00 34.95 31.75 2ict s ARG 90 CO 0.00 -0.61 1.02 -0.51 -2.50 0.00 0.00 175.30 172.70 2ict s LEU 91 N 0.45 4.33 0.24 -0.88 1.43 -1.26 -5.06 118.68 117.93 2ict s LEU 91 Ca 0.67 2.02 0.10 0.00 -1.03 0.00 0.00 54.13 55.90 2ict s LEU 91 Cb -0.46 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 2ict s LEU 91 CO 0.38 -0.24 -0.19 0.68 0.23 0.00 0.00 176.35 177.22 2ict s VAL 92 N -1.50 2.20 -0.04 -1.59 -7.23 -1.26 -5.08 120.40 105.89 2ict s VAL 92 Ca 0.51 -2.29 -0.37 0.00 -1.81 0.00 0.00 61.98 58.02 2ict s VAL 92 Cb -0.23 -2.18 -0.15 0.00 0.56 0.00 0.00 36.38 34.38 2ict s VAL 92 CO 0.30 -0.43 1.61 0.41 -0.31 0.00 0.00 175.10 176.68 2ict n THR 93 N -0.42 0.21 0.93 5.32 -1.04 -1.26 -5.32 114.28 112.70 2ict n THR 93 Ca -0.07 -0.04 0.11 0.00 -2.04 0.00 0.00 64.05 62.01 2ict n THR 93 Cb 0.60 -1.29 0.09 0.00 -1.82 0.00 0.00 70.33 67.91 2ict n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43