#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y02 s SER 21 N 0.00 0.05 0.06 3.54 1.04 -1.26 -4.53 113.70 112.59 1y02 s SER 21 Ca 0.00 -1.01 -0.31 0.00 0.48 0.00 0.00 55.95 55.11 1y02 s SER 21 Cb 0.00 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 1y02 s SER 21 CO 0.00 -0.93 1.28 0.00 0.98 0.00 0.00 173.24 174.57 1y02 h LYS 23 N 6.99 0.00 0.00 0.00 1.63 -1.24 0.09 116.57 124.04 1y02 h LYS 23 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1y02 h LYS 23 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1y02 h LYS 23 CO 0.84 0.17 -0.23 1.03 -3.45 0.00 0.00 179.45 177.81 1y02 h SER 24 N 0.00 0.00 0.33 4.20 0.87 -1.91 -3.41 113.55 113.62 1y02 h SER 24 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1y02 h SER 24 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1y02 h SER 24 CO 0.02 0.50 -0.74 0.00 -0.53 0.00 0.00 176.83 176.08 1y02 n GLY 26 N 1.48 1.76 3.75 0.00 0.00 0.02 -4.99 105.19 107.20 1y02 n GLY 26 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1y02 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y02 s ALA 27 N -3.56 1.92 0.64 4.61 0.00 -1.26 -4.41 121.76 119.70 1y02 s ALA 27 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1y02 s ALA 27 Cb 0.00 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 20.02 1y02 s ALA 27 CO 0.00 -2.03 0.89 -1.01 0.00 0.00 0.00 175.76 173.61 1y02 s HIS 28 N -2.97 1.63 -0.07 0.00 0.09 -1.26 -0.27 115.29 112.44 1y02 s HIS 28 Ca 0.62 -0.44 0.02 0.00 -0.00 0.00 0.00 55.06 55.25 1y02 s HIS 28 Cb -0.17 -2.65 -0.02 0.00 -0.00 0.00 0.00 32.58 29.73 1y02 s HIS 28 CO 0.56 -1.40 -0.12 -0.06 -0.00 0.00 0.00 174.74 173.72 1y02 s PHE 29 N -2.91 2.79 0.46 1.40 0.08 -1.26 -4.88 117.98 113.66 1y02 s PHE 29 Ca 0.64 -0.23 0.20 0.00 0.12 0.00 0.00 56.93 57.66 1y02 s PHE 29 Cb -0.06 -1.70 1.23 0.00 -0.57 0.00 0.00 43.02 41.91 1y02 s PHE 29 CO 0.41 0.13 2.05 0.00 -0.10 0.00 0.00 175.22 177.71 1y02 h ALA 30 N 5.66 1.58 -2.61 5.36 0.00 -2.00 -3.36 119.26 123.89 1y02 h ALA 30 Ca -0.42 -0.13 -0.40 0.00 0.00 0.00 0.00 54.91 53.96 1y02 h ALA 30 Cb 1.17 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 18.57 1y02 h ALA 30 CO 0.52 0.17 -0.69 1.21 0.00 0.00 0.00 179.25 180.46 1y02 s ASN 31 N -6.68 2.18 0.63 0.00 3.84 -1.26 -5.02 114.94 108.63 1y02 s ASN 31 Ca -0.04 -0.69 0.31 0.00 0.21 0.00 0.00 52.86 52.65 1y02 s ASN 31 Cb 0.15 0.10 1.66 0.00 -0.55 0.00 0.00 41.25 42.61 1y02 s ASN 31 CO 0.65 -0.37 1.99 0.71 -2.79 0.00 0.00 177.10 177.28 1y02 h THR 32 N 6.35 0.19 0.00 -5.21 1.35 -1.99 0.25 112.91 113.85 1y02 h THR 32 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1y02 h THR 32 Cb 1.10 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1y02 h THR 32 CO 0.34 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.61 1y02 n ALA 33 N -2.11 1.77 1.16 6.62 0.00 -1.26 -2.52 120.51 124.17 1y02 n ALA 33 Ca 0.01 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1y02 n ALA 33 Cb 0.42 -1.41 0.28 0.00 0.00 0.00 0.00 19.45 18.74 1y02 n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y02 n ARG 34 N -2.28 2.06 -1.91 0.00 1.74 0.88 -4.95 116.66 112.20 1y02 n ARG 34 Ca 0.03 -1.55 -0.38 0.00 -0.77 0.00 0.00 57.85 55.18 1y02 n ARG 34 Cb 0.27 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1y02 n ARG 34 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1y02 s LYS 35 N -1.96 3.37 -0.23 5.56 -2.85 -1.05 -4.81 119.74 117.78 1y02 s LYS 35 Ca 0.33 2.14 -0.09 0.00 -1.00 0.00 0.00 55.97 57.35 1y02 s LYS 35 Cb 0.20 -2.35 -0.04 0.00 -2.06 0.00 0.00 37.83 33.58 1y02 s LYS 35 CO 0.31 -0.97 0.11 -0.65 0.10 0.00 0.00 175.35 174.25 1y02 s GLN 36 N -2.78 3.95 -0.21 1.78 -1.52 -0.28 -4.92 119.66 115.67 1y02 s GLN 36 Ca 0.68 -0.34 -0.13 0.00 -1.95 0.00 0.00 55.36 53.62 1y02 s GLN 36 Cb -0.38 -3.40 -0.05 0.00 -0.22 0.00 0.00 33.01 28.96 1y02 s GLN 36 CO 0.45 0.06 0.27 0.99 -0.25 0.00 0.00 175.29 176.81 1y02 s THR 37 N 1.02 5.29 0.00 -0.19 2.01 -1.26 0.39 115.64 122.90 1y02 s THR 37 Ca 0.06 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 1y02 s THR 37 Cb -0.14 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1y02 s THR 37 CO 0.04 0.32 1.25 0.00 -0.69 0.00 0.00 174.62 175.54 1y02 h LEU 39 N 7.72 0.00 0.00 0.00 5.85 -1.66 0.20 115.31 127.42 1y02 h LEU 39 Ca -0.38 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1y02 h LEU 39 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1y02 h LEU 39 CO 0.86 0.08 -0.47 0.44 -0.34 0.00 0.00 178.44 179.01 1y02 h ASP 40 N 0.00 0.00 0.75 1.25 3.45 -1.91 -3.40 116.42 116.56 1y02 h ASP 40 Ca -0.00 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.39 1y02 h ASP 40 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1y02 h ASP 40 CO 0.01 0.78 -0.72 0.00 -1.57 0.00 0.00 179.24 177.74 1y02 n LYS 42 N -2.06 -1.09 -2.59 0.00 5.02 0.70 -4.81 118.16 113.32 1y02 n LYS 42 Ca 0.03 0.64 -0.24 0.00 -2.02 0.00 0.00 58.31 56.72 1y02 n LYS 42 Cb 0.44 -4.64 0.03 0.00 -0.02 0.00 0.00 35.03 30.84 1y02 n LYS 42 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1y02 s LYS 43 N -2.18 2.74 -0.04 1.97 -0.14 -1.26 -4.67 119.74 116.17 1y02 s LYS 43 Ca 0.00 -0.39 -0.11 0.00 -1.36 0.00 0.00 55.97 54.11 1y02 s LYS 43 Cb 0.00 -2.39 -0.05 0.00 -1.68 0.00 0.00 37.83 33.71 1y02 s LYS 43 CO 0.00 -0.67 0.30 -0.80 -0.76 0.00 0.00 175.35 173.42 1y02 s ASN 44 N -4.35 6.63 0.12 2.83 0.01 -1.26 -1.34 114.94 117.58 1y02 s ASN 44 Ca 0.54 0.75 -0.04 0.00 -0.71 0.00 0.00 52.86 53.40 1y02 s ASN 44 Cb -0.10 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 1y02 s ASN 44 CO 0.41 0.34 0.12 -0.36 -1.51 0.00 0.00 177.10 176.10 1y02 s PHE 45 N -1.10 0.61 0.80 2.20 0.40 0.16 -0.66 117.98 120.39 1y02 s PHE 45 Ca 0.22 -1.01 -0.11 0.00 -0.60 0.00 0.00 56.93 55.42 1y02 s PHE 45 Cb -0.15 -0.31 0.07 0.00 0.51 0.00 0.00 43.02 43.15 1y02 s PHE 45 CO 0.11 -0.55 1.09 0.00 0.70 0.00 0.00 175.22 176.56 1y02 h MET 47 N -1.19 0.36 -0.00 0.00 4.05 -1.91 -1.43 114.93 114.81 1y02 h MET 47 Ca -0.46 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1y02 h MET 47 Cb 1.25 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1y02 h MET 47 CO 0.54 0.58 -0.00 0.25 0.23 0.00 0.00 176.91 178.51 1y02 n THR 48 N -4.15 0.00 -1.08 -0.77 -2.24 -1.26 -2.96 114.28 101.82 1y02 n THR 48 Ca -0.01 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1y02 n THR 48 Cb 0.37 -0.48 0.17 0.00 -2.10 0.00 0.00 70.33 68.30 1y02 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y02 s SER 50 N -2.68 0.21 0.31 0.00 1.04 -1.13 -2.86 113.70 108.59 1y02 s SER 50 Ca 0.35 -1.17 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 1y02 s SER 50 Cb 0.30 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.99 1y02 s SER 50 CO 0.04 -1.11 0.54 -0.94 0.98 0.00 0.00 173.24 172.75 1y02 s SER 51 N -3.10 0.31 1.05 7.02 1.04 0.26 -4.82 113.70 115.46 1y02 s SER 51 Ca 0.28 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1y02 s SER 51 Cb 0.01 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1y02 s SER 51 CO 0.12 -1.31 0.00 1.67 0.98 0.00 0.00 173.24 174.70 1y02 n GLN 52 N -0.48 0.00 -2.93 4.02 7.27 -1.26 -3.02 117.38 120.97 1y02 n GLN 52 Ca -0.02 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.88 1y02 n GLN 52 Cb 0.61 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.27 1y02 n GLN 52 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1y02 n PRO 57 N 0.00 -0.93 -2.37 3.69 -0.04 -1.26 -5.09 135.00 129.00 1y02 n PRO 57 Ca 0.00 0.54 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 1y02 n PRO 57 Cb 0.00 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 1y02 n PRO 57 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1y02 s ARG 58 N -2.84 4.20 0.09 0.54 6.06 -1.26 -4.99 118.95 120.75 1y02 s ARG 58 Ca 0.08 1.69 0.05 0.00 -2.50 0.00 0.00 55.73 55.05 1y02 s ARG 58 Cb -0.01 -3.80 -0.03 0.00 0.06 0.00 0.00 34.95 31.17 1y02 s ARG 58 CO 0.49 -0.76 -0.14 -0.51 -2.50 0.00 0.00 175.30 171.88 1y02 s LEU 59 N 3.66 2.33 0.80 -0.88 1.43 -1.17 -1.64 118.68 123.21 1y02 s LEU 59 Ca 0.57 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 1y02 s LEU 59 Cb -0.23 -0.53 0.07 0.00 0.03 0.00 0.00 46.19 45.54 1y02 s LEU 59 CO 0.17 -0.11 1.10 0.00 0.23 0.00 0.00 176.35 177.74 1y02 h LEU 61 N -1.09 0.52 -0.05 0.00 3.38 -1.84 -1.09 115.31 115.14 1y02 h LEU 61 Ca -0.47 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 1y02 h LEU 61 Cb 1.27 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1y02 h LEU 61 CO 0.60 0.38 -0.41 0.25 0.09 0.00 0.00 178.44 179.35 1y02 h LEU 62 N 0.61 0.44 -1.38 1.67 5.85 -1.92 -1.84 115.31 118.74 1y02 h LEU 62 Ca 0.17 -0.69 -0.05 0.00 0.84 0.00 0.00 57.88 58.14 1y02 h LEU 62 Cb -0.06 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1y02 h LEU 62 CO -0.04 1.07 -0.15 0.00 -0.34 0.00 0.00 178.44 178.98 1y02 h GLN 64 N 0.21 0.66 -0.88 0.00 5.75 -1.19 -1.65 115.11 118.02 1y02 h GLN 64 Ca 0.04 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 1y02 h GLN 64 Cb 0.40 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 1y02 h GLN 64 CO 0.02 0.82 0.47 -0.09 -2.65 0.00 0.00 178.83 177.41 1y02 h ARG 65 N 0.45 1.24 -0.10 1.69 2.43 -0.58 -2.30 114.38 117.21 1y02 h ARG 65 Ca 0.09 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 1y02 h ARG 65 Cb 0.57 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1y02 h ARG 65 CO 0.03 0.91 -0.63 0.74 -1.51 0.00 0.00 179.97 179.51 1y02 h PHE 66 N 1.24 0.48 -0.26 2.20 -1.00 -1.01 -2.92 116.94 115.67 1y02 h PHE 66 Ca 0.31 -0.19 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 1y02 h PHE 66 Cb 0.04 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 1y02 h PHE 66 CO 0.01 0.90 -0.06 0.00 -1.61 0.00 0.00 178.31 177.55 1y02 h ARG 67 N 0.27 0.41 0.00 1.51 3.08 -0.98 -2.05 114.38 116.62 1y02 h ARG 67 Ca -0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1y02 h ARG 67 Cb 1.16 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 1y02 h ARG 67 CO 0.11 0.49 -0.06 0.00 -1.07 0.00 0.00 179.97 179.43 1y02 h ALA 68 N 1.55 1.22 0.00 0.04 0.00 -1.22 -1.40 119.26 119.45 1y02 h ALA 68 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y02 h ALA 68 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1y02 h ALA 68 CO 0.02 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.59 1y02 n THR 69 N -3.48 0.45 -1.48 0.00 -2.24 -0.77 -4.86 114.28 101.90 1y02 n THR 69 Ca -0.02 -0.05 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 1y02 n THR 69 Cb 0.19 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 67.67 1y02 n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y02 n ALA 70 N -1.64 -0.25 -3.19 6.98 0.00 -0.53 -1.94 120.51 119.94 1y02 n ALA 70 Ca 0.05 0.27 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 1y02 n ALA 70 Cb 0.34 -1.84 0.02 0.00 0.00 0.00 0.00 19.45 17.97 1y02 n ALA 70 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1y02 n PHE 71 N -2.41 -1.90 -2.87 0.00 3.72 -1.26 -4.93 117.46 107.82 1y02 n PHE 71 Ca -0.16 0.50 -0.41 0.00 -0.05 0.00 0.00 57.45 57.32 1y02 n PHE 71 Cb 0.60 -3.78 -0.04 0.00 -0.94 0.00 0.00 39.48 35.32 1y02 n PHE 71 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1y02 s GLN 72 N -5.85 4.31 0.27 -1.08 -0.21 -0.82 -4.95 119.66 111.33 1y02 s GLN 72 Ca 0.35 1.06 -0.01 0.00 0.02 0.00 0.00 55.36 56.79 1y02 s GLN 72 Cb -0.17 -3.57 0.62 0.00 1.00 0.00 0.00 33.01 30.89 1y02 s GLN 72 CO 0.43 -0.33 1.66 0.07 -2.12 0.00 0.00 175.29 175.00 1y02 h ARG 73 N 7.30 0.21 -0.85 2.91 0.11 -1.91 -0.36 114.38 121.79 1y02 h ARG 73 Ca -0.29 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.75 1y02 h ARG 73 Cb 1.13 -0.05 -0.04 0.00 1.11 0.00 0.00 29.97 32.12 1y02 h ARG 73 CO 0.84 0.14 0.46 0.93 0.10 0.00 0.00 179.97 182.44 1y02 h GLU 74 N 0.22 1.19 -0.20 0.08 5.08 -1.97 -0.17 114.58 118.81 1y02 h GLU 74 Ca 0.51 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 1y02 h GLU 74 Cb 0.97 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1y02 h GLU 74 CO -0.62 0.88 -0.65 0.93 -1.00 0.00 0.00 179.01 178.55 1y02 h GLU 75 N 1.20 0.75 -0.47 2.33 4.39 -1.45 -3.03 114.58 118.29 1y02 h GLU 75 Ca 0.30 -0.54 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 1y02 h GLU 75 Cb 0.04 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1y02 h GLU 75 CO -0.05 1.16 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.86 1y02 h LEU 76 N 0.55 0.77 -2.01 1.33 3.38 -0.95 -2.41 115.31 115.95 1y02 h LEU 76 Ca -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1y02 h LEU 76 Cb 1.26 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1y02 h LEU 76 CO 0.13 0.85 -0.07 -0.03 0.09 0.00 0.00 178.44 179.41 1y02 h MET 77 N 0.73 0.00 -0.00 1.13 4.05 -0.95 -1.81 114.93 118.08 1y02 h MET 77 Ca 0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1y02 h MET 77 Cb 0.49 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1y02 h MET 77 CO 0.02 0.07 -0.17 1.63 0.23 0.00 0.00 176.91 178.70 1y02 n LYS 78 N -3.39 0.28 -2.30 0.39 5.02 -0.91 -4.89 118.16 112.36 1y02 n LYS 78 Ca -0.01 -0.09 -0.33 0.00 -2.02 0.00 0.00 58.31 55.85 1y02 n LYS 78 Cb 0.22 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1y02 n LYS 78 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1y02 s MET 79 N -2.78 3.57 0.38 1.97 -1.94 -0.68 -5.01 119.30 114.81 1y02 s MET 79 Ca 0.20 1.28 -0.27 0.00 -1.71 0.00 0.00 55.69 55.19 1y02 s MET 79 Cb 0.19 -2.06 -0.09 0.00 2.01 0.00 0.00 34.83 34.88 1y02 s MET 79 CO 0.55 -0.62 1.25 0.15 -0.01 0.00 0.00 175.02 176.34 1y02 s LYS 80 N -3.65 4.11 0.26 2.03 1.02 -1.26 -4.89 119.74 117.36 1y02 s LYS 80 Ca 0.65 2.05 -0.02 0.00 0.02 0.00 0.00 55.97 58.68 1y02 s LYS 80 Cb -0.16 -2.82 0.49 0.00 -0.52 0.00 0.00 37.83 34.81 1y02 s LYS 80 CO 0.28 -0.34 1.79 0.28 -0.92 0.00 0.00 175.35 176.45 1y02 h VAL 81 N 2.58 0.82 -0.60 3.17 2.07 -1.96 -1.25 116.25 121.07 1y02 h VAL 81 Ca -0.49 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1y02 h VAL 81 Cb 1.24 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1y02 h VAL 81 CO 0.63 0.13 0.27 0.50 0.02 0.00 0.00 177.57 179.12 1y02 h LYS 82 N 0.73 0.85 -0.30 1.57 3.64 -1.99 -0.30 116.57 120.78 1y02 h LYS 82 Ca 0.45 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1y02 h LYS 82 Cb 0.53 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1y02 h LYS 82 CO -0.31 0.68 -0.43 -0.44 -2.27 0.00 0.00 179.45 176.68 1y02 h ASP 83 N 0.85 0.83 -0.30 4.20 3.32 -1.63 0.11 116.42 123.80 1y02 h ASP 83 Ca 0.21 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1y02 h ASP 83 Cb 0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1y02 h ASP 83 CO -0.02 1.14 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.56 1y02 h LEU 84 N 0.62 0.53 -0.19 1.55 3.38 -0.99 -0.28 115.31 119.93 1y02 h LEU 84 Ca 0.04 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1y02 h LEU 84 Cb 0.99 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1y02 h LEU 84 CO 0.09 0.71 0.07 -0.09 0.09 0.00 0.00 178.44 179.32 1y02 h ARG 85 N 0.33 0.28 -0.72 1.13 2.43 -0.98 -1.97 114.38 114.88 1y02 h ARG 85 Ca 0.08 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1y02 h ARG 85 Cb 0.44 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1y02 h ARG 85 CO 0.02 0.36 0.25 -0.44 -1.51 0.00 0.00 179.97 178.64 1y02 h ASP 86 N 0.15 1.02 -0.25 -3.80 3.32 -0.70 -0.67 116.42 115.49 1y02 h ASP 86 Ca 0.06 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1y02 h ASP 86 Cb 0.18 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1y02 h ASP 86 CO -0.00 0.94 0.12 0.22 -1.72 0.00 0.00 179.24 178.79 1y02 h TYR 87 N 1.06 0.36 -0.59 4.55 3.20 -0.93 -0.86 116.97 123.76 1y02 h TYR 87 Ca 0.24 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 1y02 h TYR 87 Cb 0.26 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1y02 h TYR 87 CO 0.02 0.34 0.16 -0.07 -1.64 0.00 0.00 178.16 176.98 1y02 h LEU 88 N 0.28 0.85 -0.76 2.82 3.38 -1.12 -2.47 115.31 118.28 1y02 h LEU 88 Ca 0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1y02 h LEU 88 Cb 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1y02 h LEU 88 CO -0.01 0.82 0.35 0.28 0.09 0.00 0.00 178.44 179.96 1y02 h SER 89 N 0.88 1.02 0.10 -0.43 0.02 -0.72 -0.56 113.55 113.85 1y02 h SER 89 Ca 0.19 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1y02 h SER 89 Cb 0.29 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1y02 h SER 89 CO -0.00 0.88 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.41 1y02 h LEU 90 N 1.09 0.00 -2.15 5.07 3.38 -0.73 -0.41 115.31 121.57 1y02 h LEU 90 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1y02 h LEU 90 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1y02 h LEU 90 CO -0.03 0.09 0.00 1.41 0.09 0.00 0.00 178.44 180.00 1y02 n HIS 91 N -4.37 0.93 -3.66 1.13 8.25 -0.77 -4.81 115.22 111.91 1y02 n HIS 91 Ca -0.03 -0.39 -0.25 0.00 -0.26 0.00 0.00 57.72 56.79 1y02 n HIS 91 Cb 0.17 -0.14 0.07 0.00 1.12 0.00 0.00 29.99 31.21 1y02 n HIS 91 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1y02 n ASP 92 N 0.75 -5.95 -4.31 0.41 8.00 -0.16 -5.00 116.55 110.29 1y02 n ASP 92 Ca 0.17 -0.59 -0.33 0.00 0.71 0.00 0.00 54.79 54.75 1y02 n ASP 92 Cb 0.59 -4.80 -0.15 0.00 -0.02 0.00 0.00 41.12 36.74 1y02 n ASP 92 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y02 s ILE 93 N -3.32 2.77 0.26 0.53 1.01 -0.29 -5.02 121.20 117.14 1y02 s ILE 93 Ca 0.59 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 1y02 s ILE 93 Cb -0.27 -2.16 -0.09 0.00 0.01 0.00 0.00 42.46 39.96 1y02 s ILE 93 CO 0.75 0.52 0.89 -0.94 0.00 0.00 0.00 174.94 176.16 1y02 s SER 94 N 0.57 7.41 -0.13 3.58 1.04 -1.26 -3.81 113.70 121.09 1y02 s SER 94 Ca -0.09 1.79 0.15 0.00 0.48 0.00 0.00 55.95 58.27 1y02 s SER 94 Cb -0.16 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 63.74 1y02 s SER 94 CO 0.04 0.07 1.17 0.35 0.98 0.00 0.00 173.24 175.84 1y02 n THR 95 N 1.06 1.59 0.22 2.02 -2.24 -1.26 -4.76 114.28 110.91 1y02 n THR 95 Ca -0.01 -2.30 0.10 0.00 -2.27 0.00 0.00 64.05 59.56 1y02 n THR 95 Cb 0.49 -0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.15 1y02 n THR 95 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1y02 h GLU 96 N 0.57 0.00 -0.52 -0.78 4.11 -2.03 -3.04 114.58 112.89 1y02 h GLU 96 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1y02 h GLU 96 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1y02 h GLU 96 CO 0.01 0.23 0.00 -1.33 0.07 0.00 0.00 179.01 177.99 1y02 n MET 97 N -3.37 2.50 -3.17 1.06 2.81 -1.26 -4.94 117.12 110.75 1y02 n MET 97 Ca 0.00 -2.30 -0.39 0.00 -1.81 0.00 0.00 57.70 53.21 1y02 n MET 97 Cb 0.44 -1.52 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 1y02 n MET 97 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y02 n ARG 99 N 3.00 1.50 -4.40 0.00 5.12 -1.26 -5.03 116.66 115.58 1y02 n ARG 99 Ca -0.06 -0.04 -0.27 0.00 -1.93 0.00 0.00 57.85 55.56 1y02 n ARG 99 Cb 0.51 -1.17 -0.13 0.00 -1.16 0.00 0.00 32.46 30.51 1y02 n ARG 99 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1y02 s GLU 100 N -2.34 1.32 0.36 5.56 2.02 -1.26 -5.03 118.70 119.33 1y02 s GLU 100 Ca -0.03 -1.24 0.09 0.00 0.02 0.00 0.00 54.97 53.81 1y02 s GLU 100 Cb 0.03 -1.69 0.82 0.00 0.10 0.00 0.00 34.13 33.39 1y02 s GLU 100 CO 0.28 0.40 1.88 -0.22 0.02 0.00 0.00 175.26 177.63 1y02 h LYS 101 N 4.08 0.67 -0.31 1.61 3.64 -2.01 -0.67 116.57 123.58 1y02 h LYS 101 Ca -0.48 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1y02 h LYS 101 Cb 1.17 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1y02 h LYS 101 CO 0.40 0.44 0.22 1.49 -2.27 0.00 0.00 179.45 179.73 1y02 h GLU 102 N 0.69 0.19 -0.52 1.90 4.81 -1.99 -0.63 114.58 119.03 1y02 h GLU 102 Ca 0.43 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.59 1y02 h GLU 102 Cb 0.66 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1y02 h GLU 102 CO -0.19 0.13 0.11 0.93 -0.73 0.00 0.00 179.01 179.26 1y02 h GLU 103 N 0.20 0.80 -0.42 1.92 5.08 -1.53 -0.60 114.58 120.03 1y02 h GLU 103 Ca 0.14 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1y02 h GLU 103 Cb 0.31 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1y02 h GLU 103 CO -0.02 0.73 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.63 1y02 h LEU 104 N 0.77 0.73 -0.84 1.33 3.38 -1.18 -2.14 115.31 117.36 1y02 h LEU 104 Ca 0.17 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1y02 h LEU 104 Cb 0.31 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1y02 h LEU 104 CO 0.00 0.87 0.48 0.58 0.09 0.00 0.00 178.44 180.46 1y02 h VAL 105 N 0.58 1.24 -0.65 1.22 2.07 -1.01 -1.38 116.25 118.32 1y02 h VAL 105 Ca 0.12 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1y02 h VAL 105 Cb 0.50 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1y02 h VAL 105 CO 0.02 0.27 0.27 -0.07 0.02 0.00 0.00 177.57 178.09 1y02 h LEU 106 N 1.17 0.85 -0.62 2.57 3.38 -0.91 -0.64 115.31 121.12 1y02 h LEU 106 Ca 0.30 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1y02 h LEU 106 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1y02 h LEU 106 CO -0.05 0.75 -0.31 -0.07 0.09 0.00 0.00 178.44 178.85 1y02 h LEU 107 N 0.93 0.78 -0.34 1.67 3.38 -0.75 0.06 115.31 121.05 1y02 h LEU 107 Ca 0.22 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1y02 h LEU 107 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1y02 h LEU 107 CO -0.02 1.03 0.09 0.58 0.09 0.00 0.00 178.44 180.21 1y02 h VAL 108 N 0.63 1.22 -0.84 1.22 2.07 -0.75 -2.50 116.25 117.31 1y02 h VAL 108 Ca 0.07 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1y02 h VAL 108 Cb 0.84 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1y02 h VAL 108 CO 0.07 0.24 0.44 -0.07 0.02 0.00 0.00 177.57 178.27 1y02 h LEU 109 N 0.39 1.06 -0.99 2.57 3.38 -0.91 -2.99 115.31 117.83 1y02 h LEU 109 Ca 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1y02 h LEU 109 Cb 0.28 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1y02 h LEU 109 CO -0.00 0.87 0.42 1.23 0.09 0.00 0.00 178.44 181.05 1y02 h GLY 110 N 1.20 1.22 -0.49 0.83 0.00 -0.66 -2.69 103.07 102.47 1y02 h GLY 110 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1y02 h GLY 110 CO -0.04 0.54 0.00 0.61 0.00 0.00 0.00 176.54 177.65 1y02 n GLN 111 N -4.33 1.59 -1.72 4.80 -0.00 -0.97 -4.92 117.38 111.83 1y02 n GLN 111 Ca 0.08 -0.88 -0.42 0.00 -0.00 0.00 0.00 57.00 55.78 1y02 n GLN 111 Cb 0.11 -1.40 -0.03 0.00 -0.00 0.00 0.00 30.24 28.92 1y02 n GLN 111 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1y02 n GLN 112 N 0.09 2.73 -2.13 2.61 7.27 -1.02 -4.94 117.38 122.00 1y02 n GLN 112 Ca 0.17 0.98 -0.39 0.00 0.07 0.00 0.00 57.00 57.83 1y02 n GLN 112 Cb 0.29 -2.81 -0.01 0.00 2.41 0.00 0.00 30.24 30.12 1y02 n GLN 112 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1y02 s PRO 113 N 0.88 3.90 0.00 3.69 0.04 -1.26 -5.10 135.00 137.15 1y02 s PRO 113 Ca 0.73 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1y02 s PRO 113 Cb -0.51 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1y02 s PRO 113 CO 0.35 -0.50 0.00 1.33 0.04 0.00 0.00 177.00 178.22