#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyn s SER 2 N 0.00 4.12 0.00 7.83 0.15 -1.26 -4.43 113.70 120.11 2jyn s SER 2 Ca 0.00 0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.74 2jyn s SER 2 Cb 0.00 -2.55 0.09 0.00 -1.71 0.00 0.00 66.02 61.85 2jyn s SER 2 CO 0.00 -3.63 0.89 1.07 1.20 0.00 0.00 173.24 172.77 2jyn n THR 3 N 8.58 0.00 -2.40 6.45 5.66 -1.26 -5.01 114.28 126.30 2jyn n THR 3 Ca 0.45 -0.21 -0.24 0.00 -3.05 0.00 0.00 64.05 60.99 2jyn n THR 3 Cb 0.45 0.46 0.05 0.00 -1.55 0.00 0.00 70.33 69.73 2jyn n THR 3 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2jyn s PHE 4 N 0.00 2.97 0.82 1.09 0.08 -1.26 -5.11 117.98 116.56 2jyn s PHE 4 Ca 0.07 0.33 -0.07 0.00 0.12 0.00 0.00 56.93 57.38 2jyn s PHE 4 Cb 0.08 -2.95 0.16 0.00 -0.57 0.00 0.00 43.02 39.74 2jyn s PHE 4 CO -0.04 -1.11 1.13 -0.80 -0.10 0.00 0.00 175.22 174.30 2jyn s ASN 5 N -4.44 3.85 -1.12 1.36 0.01 -1.26 -4.98 114.94 108.36 2jyn s ASN 5 Ca 0.58 -0.13 -0.22 0.00 -0.71 0.00 0.00 52.86 52.38 2jyn s ASN 5 Cb -0.11 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.45 2jyn s ASN 5 CO 0.43 -2.21 1.75 0.00 -1.51 0.00 0.00 177.10 175.55 2jyn s ALA 6 N -3.44 2.48 -0.19 0.60 0.00 -1.26 -4.90 121.76 115.05 2jyn s ALA 6 Ca 0.69 -2.29 -0.02 0.00 0.00 0.00 0.00 51.96 50.34 2jyn s ALA 6 Cb -0.05 -4.61 0.06 0.00 0.00 0.00 0.00 23.12 18.52 2jyn s ALA 6 CO 0.48 -4.14 0.02 -1.21 0.00 0.00 0.00 175.76 170.90 2jyn s GLU 7 N 5.50 0.82 -0.54 0.00 2.02 -1.26 -5.11 118.70 120.13 2jyn s GLU 7 Ca 0.58 -0.49 -0.29 0.00 0.02 0.00 0.00 54.97 54.80 2jyn s GLU 7 Cb -0.00 -2.14 0.03 0.00 0.10 0.00 0.00 34.13 32.12 2jyn s GLU 7 CO 0.03 -0.62 1.17 0.95 0.02 0.00 0.00 175.26 176.82 2jyn s THR 8 N 1.79 4.09 -0.26 3.63 -4.23 -1.26 -4.62 115.64 114.78 2jyn s THR 8 Ca -0.01 1.03 -0.17 0.00 -1.18 0.00 0.00 61.69 61.36 2jyn s THR 8 Cb -0.17 -4.68 0.07 0.00 1.34 0.00 0.00 72.50 69.06 2jyn s THR 8 CO -0.08 -1.21 0.66 0.00 -0.54 0.00 0.00 174.62 173.45 2jyn s ALA 9 N 4.76 -1.73 -0.98 3.99 0.00 -1.26 -5.09 121.76 121.44 2jyn s ALA 9 Ca 0.45 2.19 -0.24 0.00 0.00 0.00 0.00 51.96 54.36 2jyn s ALA 9 Cb -0.07 -1.29 -0.07 0.00 0.00 0.00 0.00 23.12 21.68 2jyn s ALA 9 CO 0.28 -0.35 1.99 -0.51 0.00 0.00 0.00 175.76 177.17 2jyn s ASP 10 N 1.28 4.94 0.04 0.00 1.01 -1.26 -4.24 116.67 118.43 2jyn s ASP 10 Ca -0.07 -0.92 -0.27 0.00 0.71 0.00 0.00 52.55 52.00 2jyn s ASP 10 Cb -0.05 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.40 2jyn s ASP 10 CO -0.14 -3.02 0.80 0.21 0.21 0.00 0.00 175.17 173.24 2jyn s ASN 11 N 7.84 -0.43 0.64 0.27 3.84 -1.26 -5.04 114.94 120.79 2jyn s ASN 11 Ca 0.72 0.03 0.32 0.00 0.21 0.00 0.00 52.86 54.14 2jyn s ASN 11 Cb -0.05 0.45 1.74 0.00 -0.55 0.00 0.00 41.25 42.83 2jyn s ASN 11 CO 0.05 -0.71 2.02 -0.07 -2.79 0.00 0.00 177.10 175.60 2jyn h LEU 12 N 2.04 0.00 -0.34 3.21 3.38 -1.98 -0.96 115.31 120.67 2jyn h LEU 12 Ca -0.25 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.77 2jyn h LEU 12 Cb 1.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 2jyn h LEU 12 CO 0.33 0.00 0.06 1.05 0.09 0.00 0.00 178.44 179.97 2jyn h GLU 13 N 0.00 0.17 0.00 1.13 4.11 -1.96 -1.08 114.58 116.95 2jyn h GLU 13 Ca 0.05 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 59.22 2jyn h GLU 13 Cb 0.61 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2jyn h GLU 13 CO -0.00 0.12 -1.48 0.22 0.07 0.00 0.00 179.01 177.94 2jyn h ASP 14 N 0.18 0.00 -0.11 3.06 1.82 -1.39 -2.84 116.42 117.14 2jyn h ASP 14 Ca 0.16 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 2jyn h ASP 14 Cb 0.18 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.19 2jyn h ASP 14 CO -0.21 0.90 -0.09 0.40 -1.61 0.00 0.00 179.24 178.63 2jyn h ILE 15 N 0.00 1.34 -0.12 2.25 1.08 -1.28 -1.06 117.51 119.73 2jyn h ILE 15 Ca -0.20 -1.19 -0.13 0.00 -0.39 0.00 0.00 64.86 62.95 2jyn h ILE 15 Cb 1.86 1.89 -0.01 0.00 -3.07 0.00 0.00 36.82 37.50 2jyn h ILE 15 CO 0.08 0.34 -0.48 -0.33 -0.69 0.00 0.00 178.15 177.07 2jyn h GLU 16 N -0.13 0.30 0.66 2.37 5.08 -1.33 -1.07 114.58 120.45 2jyn h GLU 16 Ca 0.02 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2jyn h GLU 16 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2jyn h GLU 16 CO 0.02 0.72 -0.41 -0.22 -1.00 0.00 0.00 179.01 178.12 2jyn h LYS 17 N 0.24 -0.98 -0.14 2.33 3.64 -1.47 -0.65 116.57 119.55 2jyn h LYS 17 Ca 0.01 0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2jyn h LYS 17 Cb 0.94 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2jyn h LYS 17 CO 0.08 -0.65 -0.31 -0.56 -2.27 0.00 0.00 179.45 175.74 2jyn h GLN 18 N -1.02 0.27 -0.38 1.90 3.07 -1.18 -2.39 115.11 115.37 2jyn h GLN 18 Ca -0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 58.65 58.53 2jyn h GLN 18 Cb 0.82 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.35 2jyn h GLN 18 CO 0.08 0.55 0.12 0.35 0.09 0.00 0.00 178.83 180.03 2jyn h PHE 19 N 0.24 0.62 -0.11 0.06 3.57 -1.19 -1.42 116.94 118.70 2jyn h PHE 19 Ca 0.03 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2jyn h PHE 19 Cb 0.67 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2jyn h PHE 19 CO 0.01 0.58 0.07 0.00 -2.23 0.00 0.00 178.31 176.74 2jyn h ALA 20 N 0.97 0.14 -0.19 2.41 0.00 -0.61 -0.88 119.26 121.09 2jyn h ALA 20 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2jyn h ALA 20 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jyn h ALA 20 CO -0.00 -0.36 -0.38 -0.24 0.00 0.00 0.00 179.25 178.27 2jyn h VAL 21 N 0.13 1.33 -0.07 0.00 3.04 -1.52 -2.81 116.25 116.35 2jyn h VAL 21 Ca 0.04 -1.61 -0.11 0.00 -1.01 0.00 0.00 66.70 64.02 2jyn h VAL 21 Cb 0.01 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 2jyn h VAL 21 CO -0.01 0.50 -0.45 1.62 -1.01 0.00 0.00 177.57 178.22 2jyn h VAL 22 N 0.27 1.33 -0.05 1.51 3.04 -1.17 -1.04 116.25 120.14 2jyn h VAL 22 Ca 0.01 -1.60 -0.10 0.00 -1.01 0.00 0.00 66.70 64.00 2jyn h VAL 22 Cb 0.97 1.78 0.01 0.00 -2.01 0.00 0.00 31.29 32.04 2jyn h VAL 22 CO 0.08 0.47 -0.36 0.00 -1.01 0.00 0.00 177.57 176.76 2jyn h ALA 23 N 1.41 0.11 -0.33 3.17 0.00 -1.21 -2.02 119.26 120.39 2jyn h ALA 23 Ca 0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2jyn h ALA 23 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jyn h ALA 23 CO 0.07 0.20 -0.37 -0.39 0.00 0.00 0.00 179.25 178.75 2jyn h VAL 24 N -0.20 1.28 -0.26 0.00 -1.51 -1.46 -2.56 116.25 111.54 2jyn h VAL 24 Ca -0.03 -1.54 -0.16 0.00 -1.23 0.00 0.00 66.70 63.74 2jyn h VAL 24 Cb 1.03 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2jyn h VAL 24 CO 0.07 0.50 -0.45 1.05 -1.23 0.00 0.00 177.57 177.52 2jyn h GLU 25 N 0.63 0.77 -0.29 5.19 4.11 -1.24 -1.52 114.58 122.23 2jyn h GLU 25 Ca 0.06 -0.47 -0.11 0.00 0.07 0.00 0.00 59.36 58.90 2jyn h GLU 25 Cb 0.92 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2jyn h GLU 25 CO 0.08 1.10 -0.29 0.37 0.07 0.00 0.00 179.01 180.34 2jyn h GLN 26 N 0.51 0.60 -0.16 1.06 4.15 -1.39 0.26 115.11 120.14 2jyn h GLN 26 Ca 0.02 -0.25 -0.06 0.00 0.77 0.00 0.00 58.65 59.12 2jyn h GLN 26 Cb 1.05 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 2jyn h GLN 26 CO 0.10 0.82 -0.14 0.00 -1.93 0.00 0.00 178.83 177.68 2jyn h ALA 27 N 1.17 0.24 0.00 3.38 0.00 -1.41 -1.79 119.26 120.84 2jyn h ALA 27 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2jyn h ALA 27 Cb 0.76 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2jyn h ALA 27 CO 0.06 0.11 -0.46 1.05 0.00 0.00 0.00 179.25 180.02 2jyn h GLU 28 N 0.03 0.00 -0.09 0.00 -0.00 -1.19 -2.72 114.58 110.61 2jyn h GLU 28 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.36 2jyn h GLU 28 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.41 2jyn h GLU 28 CO 0.04 0.46 -0.06 1.15 -0.00 0.00 0.00 179.01 180.59 2jyn h THR 29 N 0.00 1.34 -0.15 -1.06 2.02 -0.91 -0.69 112.91 113.46 2jyn h THR 29 Ca -0.00 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 2jyn h THR 29 Cb 1.03 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 2jyn h THR 29 CO 0.06 0.32 -0.10 0.10 0.37 0.00 0.00 175.52 176.26 2jyn h TYR 30 N -0.19 0.23 0.04 3.16 -0.00 -1.32 -0.61 116.97 118.28 2jyn h TYR 30 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 58.73 58.72 2jyn h TYR 30 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 36.73 37.20 2jyn h TYR 30 CO 0.08 0.33 -0.02 2.35 -0.00 0.00 0.00 178.16 180.90 2jyn h TRP 31 N 0.22 -0.05 -0.99 0.10 2.91 -1.44 -2.67 115.95 114.02 2jyn h TRP 31 Ca 0.05 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.14 2jyn h TRP 31 Cb 0.33 0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 28.92 2jyn h TRP 31 CO 0.00 0.17 0.64 0.87 -1.03 0.00 0.00 178.44 179.09 2jyn h LYS 32 N -0.26 1.10 0.38 2.65 1.79 -0.12 -1.00 116.57 121.12 2jyn h LYS 32 Ca -0.01 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2jyn h LYS 32 Cb 0.24 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2jyn h LYS 32 CO 0.01 0.73 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.85 2jyn h LEU 33 N 1.13 -0.44 -0.53 2.94 3.38 -1.15 -2.89 115.31 117.76 2jyn h LEU 33 Ca 0.44 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.24 2jyn h LEU 33 Cb 0.22 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2jyn h LEU 33 CO -0.18 -0.23 -0.16 -0.07 0.09 0.00 0.00 178.44 177.88 2jyn h LEU 34 N -0.61 1.04 -0.49 1.67 3.38 -1.14 0.78 115.31 119.93 2jyn h LEU 34 Ca -0.05 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2jyn h LEU 34 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2jyn h LEU 34 CO 0.09 1.17 0.00 0.35 0.09 0.00 0.00 178.44 180.14 2jyn n THR 35 N -4.13 1.11 -0.09 0.22 -2.24 -0.41 -2.57 114.28 106.18 2jyn n THR 35 Ca 0.01 0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 62.04 2jyn n THR 35 Cb 0.43 -1.26 -0.12 0.00 -2.10 0.00 0.00 70.33 67.28 2jyn n THR 35 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jyn n SER 36 N -1.89 1.50 -4.09 3.42 7.64 -0.88 -4.77 113.62 114.55 2jyn n SER 36 Ca 0.02 -0.05 -0.14 0.00 1.01 0.00 0.00 58.87 59.70 2jyn n SER 36 Cb 0.14 0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 63.58 2jyn n SER 36 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jyn s VAL 37 N -2.42 0.68 0.33 0.44 -7.23 0.22 -5.04 120.40 107.37 2jyn s VAL 37 Ca -0.18 -1.11 0.23 0.00 -1.81 0.00 0.00 61.98 59.12 2jyn s VAL 37 Cb 0.06 -0.71 0.23 0.00 0.56 0.00 0.00 36.38 36.52 2jyn s VAL 37 CO 0.61 -0.33 1.68 -0.65 -0.31 0.00 0.00 175.10 176.09 2jyn h PRO 38 N 4.49 0.00 0.00 4.82 0.11 -1.87 -3.37 132.00 136.19 2jyn h PRO 38 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2jyn h PRO 38 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jyn h PRO 38 CO 0.41 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.61 2jyn n GLY 39 N -1.24 0.54 0.23 -0.55 0.00 -1.26 -4.94 105.19 97.95 2jyn n GLY 39 Ca -0.02 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.83 2jyn n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jyn h SER 40 N 0.00 0.00 0.42 1.61 0.02 -2.01 -2.15 113.55 111.44 2jyn h SER 40 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jyn h SER 40 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jyn h SER 40 CO 0.00 0.22 -0.45 2.29 -1.14 0.00 0.00 176.83 177.75 2jyn n LYS 41 N -3.46 0.22 -3.65 3.45 0.00 -1.26 -4.98 118.16 108.48 2jyn n LYS 41 Ca -0.00 -0.13 -0.20 0.00 -0.00 0.00 0.00 58.31 57.98 2jyn n LYS 41 Cb 0.40 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 33.92 2jyn n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jyn s LEU 42 N -2.87 4.05 0.31 -5.58 1.43 -0.81 -5.13 118.68 110.08 2jyn s LEU 42 Ca 0.14 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 2jyn s LEU 42 Cb 0.18 -2.75 0.04 0.00 0.03 0.00 0.00 46.19 43.69 2jyn s LEU 42 CO 0.66 -0.31 0.78 0.00 0.23 0.00 0.00 176.35 177.70 2jyn s ARG 43 N -4.10 1.89 -0.17 1.70 3.03 -1.26 -5.02 118.95 115.02 2jyn s ARG 43 Ca 0.41 -1.13 -0.25 0.00 2.03 0.00 0.00 55.73 56.80 2jyn s ARG 43 Cb -0.09 0.59 -0.22 0.00 -1.03 0.00 0.00 34.95 34.20 2jyn s ARG 43 CO 0.30 -0.88 0.49 -0.07 -1.13 0.00 0.00 175.30 174.02 2jyn h LEU 44 N 2.00 0.00 0.00 -1.89 -0.00 -1.99 -3.49 115.31 109.93 2jyn h LEU 44 Ca -0.25 -0.74 -0.32 0.00 -0.00 0.00 0.00 57.88 56.57 2jyn h LEU 44 Cb 1.25 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.83 2jyn h LEU 44 CO 0.30 1.18 -0.21 0.35 -0.00 0.00 0.00 178.44 180.07 2jyn n THR 45 N -4.54 0.00 0.26 0.22 -2.24 -1.26 -5.00 114.28 101.72 2jyn n THR 45 Ca -0.19 -1.91 0.14 0.00 -2.27 0.00 0.00 64.05 59.82 2jyn n THR 45 Cb 0.54 1.12 0.62 0.00 -2.10 0.00 0.00 70.33 70.51 2jyn n THR 45 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2jyn h LYS 46 N 0.00 0.00 -0.46 -0.78 1.57 -2.04 -3.16 116.57 111.70 2jyn h LYS 46 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2jyn h LYS 46 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2jyn h LYS 46 CO 0.36 0.10 0.00 1.19 -0.57 0.00 0.00 179.45 180.54 2jyn n PHE 47 N -3.27 0.82 -0.07 -1.35 3.72 -1.26 -4.68 117.46 111.37 2jyn n PHE 47 Ca 0.00 -0.58 -0.09 0.00 -0.05 0.00 0.00 57.45 56.73 2jyn n PHE 47 Cb 0.34 -0.11 0.07 0.00 -0.94 0.00 0.00 39.48 38.84 2jyn n PHE 47 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2jyn h ASP 48 N 2.79 0.77 -0.37 4.37 2.03 -1.93 -2.40 116.42 121.68 2jyn h ASP 48 Ca 0.00 -0.32 -0.01 0.00 -0.73 0.00 0.00 57.03 55.97 2jyn h ASP 48 Cb 1.02 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 39.29 2jyn h ASP 48 CO 0.08 1.04 0.20 -0.78 -1.03 0.00 0.00 179.24 178.75 2jyn h ASP 49 N 0.62 0.46 0.31 4.15 3.58 -1.84 -2.60 116.42 121.10 2jyn h ASP 49 Ca 0.07 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 2jyn h ASP 49 Cb 0.86 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2jyn h ASP 49 CO 0.07 0.42 -0.44 1.05 -2.88 0.00 0.00 179.24 177.46 2jyn h GLU 50 N 0.47 0.17 -0.77 0.28 4.11 -1.88 -2.74 114.58 114.22 2jyn h GLU 50 Ca 0.13 -0.08 0.02 0.00 0.07 0.00 0.00 59.36 59.50 2jyn h GLU 50 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2jyn h GLU 50 CO -0.02 0.59 0.50 0.82 0.07 0.00 0.00 179.01 180.96 2jyn h ILE 51 N 0.14 1.15 -0.05 -1.06 2.04 -1.07 -0.69 117.51 117.97 2jyn h ILE 51 Ca 0.01 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2jyn h ILE 51 Cb 0.84 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2jyn h ILE 51 CO 0.07 0.18 0.03 0.22 0.00 0.00 0.00 178.15 178.64 2jyn h TYR 52 N 0.99 0.07 0.44 1.37 3.20 -1.34 -2.05 116.97 119.65 2jyn h TYR 52 Ca 0.30 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 2jyn h TYR 52 Cb -0.04 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2jyn h TYR 52 CO -0.03 0.13 -0.21 0.93 -1.64 0.00 0.00 178.16 177.34 2jyn h GLU 53 N -0.01 -0.58 0.00 1.82 4.39 -1.17 -2.27 114.58 116.77 2jyn h GLU 53 Ca 0.02 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2jyn h GLU 53 Cb 0.08 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2jyn h GLU 53 CO -0.00 -0.34 -0.06 -0.91 -1.16 0.00 0.00 179.01 176.53 2jyn h ASN 54 N -0.68 0.00 -0.25 1.42 2.35 -1.22 -1.41 115.58 115.78 2jyn h ASN 54 Ca -0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 2jyn h ASN 54 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 2jyn h ASN 54 CO 0.10 0.06 -0.28 0.15 -1.65 0.00 0.00 177.43 175.82 2jyn h PHE 55 N 0.00 0.77 0.00 1.19 3.57 -1.08 -1.45 116.94 119.95 2jyn h PHE 55 Ca -0.00 -0.24 -0.14 0.00 3.53 0.00 0.00 57.97 61.12 2jyn h PHE 55 Cb 0.37 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2jyn h PHE 55 CO 0.00 0.97 -0.66 0.00 -2.23 0.00 0.00 178.31 176.38 2jyn h MET 56 N 0.35 0.00 -0.09 1.11 -0.00 -0.95 0.11 114.93 115.46 2jyn h MET 56 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.64 2jyn h MET 56 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 2jyn h MET 56 CO 0.07 0.66 -0.34 0.93 -0.00 0.00 0.00 176.91 178.23 2jyn h GLU 57 N 0.00 0.39 0.13 -0.10 4.39 -1.30 -2.99 114.58 115.11 2jyn h GLU 57 Ca -0.01 -0.30 -0.28 0.00 0.34 0.00 0.00 59.36 59.11 2jyn h GLU 57 Cb 1.40 0.06 0.02 0.00 -0.10 0.00 0.00 28.75 30.12 2jyn h GLU 57 CO 0.09 0.93 -1.24 0.00 -1.16 0.00 0.00 179.01 177.63 2jyn h ARG 58 N -0.07 0.41 -3.06 2.33 -0.00 -1.33 -3.40 114.38 109.26 2jyn h ARG 58 Ca -0.02 -0.62 -0.62 0.00 -0.50 0.00 0.00 59.98 58.22 2jyn h ARG 58 Cb 0.98 0.22 -0.41 0.00 0.00 0.00 0.00 29.97 30.75 2jyn h ARG 58 CO 0.07 1.27 -0.64 -0.06 0.00 0.00 0.00 179.97 180.61 2jyn s PHE 59 N -2.82 3.09 -1.41 3.04 0.40 0.03 -4.89 117.98 115.43 2jyn s PHE 59 Ca -0.06 -3.12 0.24 0.00 -0.60 0.00 0.00 56.93 53.38 2jyn s PHE 59 Cb 0.07 -2.47 1.19 0.00 0.51 0.00 0.00 43.02 42.31 2jyn s PHE 59 CO 0.90 -0.63 1.78 -0.35 0.70 0.00 0.00 175.22 177.62 2jyn n PRO 60 N 2.42 0.32 0.28 0.24 -0.04 -1.13 -2.35 135.00 134.75 2jyn n PRO 60 Ca 0.17 0.06 0.19 0.00 -0.04 0.00 0.00 63.50 63.88 2jyn n PRO 60 Cb 0.36 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.17 2jyn n PRO 60 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2jyn h GLU 61 N 0.00 0.00 0.00 0.54 4.11 -1.90 -2.95 114.58 114.38 2jyn h GLU 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jyn h GLU 61 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jyn h GLU 61 CO 0.00 0.00 -1.90 0.98 0.07 0.00 0.00 179.01 178.16 2jyn n TYR 62 N -3.00 0.00 0.07 2.06 4.19 -0.99 -4.63 117.16 114.86 2jyn n TYR 62 Ca -0.01 0.00 0.20 0.00 3.31 0.00 0.00 57.90 61.41 2jyn n TYR 62 Cb 0.21 -0.45 0.74 0.00 0.49 0.00 0.00 39.34 40.33 2jyn n TYR 62 CO 0.00 0.00 0.00 1.57 0.91 0.00 0.00 176.86 179.34 2jyn h LYS 63 N 0.00 0.00 -6.96 2.98 2.10 -1.54 -3.25 116.57 109.89 2jyn h LYS 63 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 2jyn h LYS 63 Cb 0.94 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.37 2jyn h LYS 63 CO 0.00 0.00 0.70 0.34 -2.00 0.00 0.00 179.45 178.49 2jyn s ASP 64 N -5.56 6.14 0.41 7.07 2.15 -1.26 -4.84 116.67 120.77 2jyn s ASP 64 Ca -0.05 2.89 0.10 0.00 0.43 0.00 0.00 52.55 55.93 2jyn s ASP 64 Cb 0.17 -2.65 0.87 0.00 -0.30 0.00 0.00 42.92 41.00 2jyn s ASP 64 CO 0.60 -1.00 1.98 1.62 -0.17 0.00 0.00 175.17 178.20 2jyn h VAL 65 N 2.56 1.14 -0.26 1.11 3.04 -1.99 0.73 116.25 122.58 2jyn h VAL 65 Ca -0.50 -0.56 -0.11 0.00 -1.01 0.00 0.00 66.70 64.52 2jyn h VAL 65 Cb 1.25 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2jyn h VAL 65 CO 0.62 0.18 -0.26 -0.33 -1.01 0.00 0.00 177.57 176.78 2jyn h GLU 66 N 0.26 0.64 0.00 4.17 5.08 -1.92 -0.62 114.58 122.19 2jyn h GLU 66 Ca 0.06 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2jyn h GLU 66 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jyn h GLU 66 CO 0.01 0.94 0.00 0.00 -1.00 0.00 0.00 179.01 178.96 2jyn h ARG 67 N 0.36 0.00 0.10 2.33 2.47 -1.49 -1.04 114.38 117.11 2jyn h ARG 67 Ca 0.04 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.60 2jyn h ARG 67 Cb 0.82 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.15 2jyn h ARG 67 CO 0.06 0.00 -0.72 0.28 0.56 0.00 0.00 179.97 180.15 2jyn h VAL 68 N 0.00 1.49 0.07 2.04 2.07 -0.69 -3.39 116.25 117.84 2jyn h VAL 68 Ca 0.00 -2.47 -0.25 0.00 0.82 0.00 0.00 66.70 64.80 2jyn h VAL 68 Cb 0.39 3.15 0.01 0.00 -1.52 0.00 0.00 31.29 33.32 2jyn h VAL 68 CO 0.00 0.68 -1.11 0.07 0.02 0.00 0.00 177.57 177.23 2jyn h LYS 69 N -0.53 0.37 -3.91 1.57 2.10 -0.83 -3.39 116.57 111.96 2jyn h LYS 69 Ca -0.14 -0.49 -0.11 0.00 -2.00 0.00 0.00 60.65 57.91 2jyn h LYS 69 Cb 1.50 0.16 -0.13 0.00 -0.90 0.00 0.00 32.23 32.87 2jyn h LYS 69 CO 0.09 1.18 -0.35 -1.59 -2.00 0.00 0.00 179.45 176.79 2jyn s LYS 70 N -2.97 1.10 0.19 0.07 0.00 -0.42 -0.33 119.74 117.39 2jyn s LYS 70 Ca -0.05 -1.16 0.02 0.00 0.00 0.00 0.00 55.97 54.77 2jyn s LYS 70 Cb 0.08 0.36 -0.01 0.00 0.00 0.00 0.00 37.83 38.27 2jyn s LYS 70 CO 0.88 -0.39 0.22 1.97 0.00 0.00 0.00 175.35 178.02 2jyn n PHE 71 N -0.19 -0.73 -4.42 1.78 1.16 -0.81 -4.18 117.46 110.07 2jyn n PHE 71 Ca -0.08 -1.42 -0.21 0.00 -1.87 0.00 0.00 57.45 53.87 2jyn n PHE 71 Cb 0.63 0.24 -0.10 0.00 -1.61 0.00 0.00 39.48 38.63 2jyn n PHE 71 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2jyn s THR 72 N -2.69 1.69 0.16 1.97 2.01 -1.26 -4.80 115.64 112.71 2jyn s THR 72 Ca 0.19 -2.15 0.07 0.00 0.31 0.00 0.00 61.69 60.11 2jyn s THR 72 Cb 0.00 -2.38 -0.16 0.00 0.01 0.00 0.00 72.50 69.97 2jyn s THR 72 CO 0.14 -0.35 1.36 1.05 -0.69 0.00 0.00 174.62 176.13 2jyn h GLU 73 N 2.32 0.03 -0.12 4.92 4.11 -1.99 -3.33 114.58 120.53 2jyn h GLU 73 Ca -0.40 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 58.92 2jyn h GLU 73 Cb 1.23 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2jyn h GLU 73 CO 0.66 0.92 -0.25 1.05 0.07 0.00 0.00 179.01 181.46 2jyn h GLU 74 N 0.01 0.22 0.00 1.06 -0.00 -1.98 0.21 114.58 114.10 2jyn h GLU 74 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.27 2jyn h GLU 74 Cb 1.59 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.32 2jyn h GLU 74 CO 0.12 0.46 0.00 -0.85 -0.00 0.00 0.00 179.01 178.74 2jyn n GLU 75 N -4.17 0.11 -0.07 1.06 0.28 -1.25 -2.24 120.64 114.35 2jyn n GLU 75 Ca -0.01 0.24 -0.03 0.00 -0.16 0.00 0.00 57.16 57.20 2jyn n GLU 75 Cb 0.35 -1.66 -0.16 0.00 1.43 0.00 0.00 31.44 31.40 2jyn n GLU 75 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2jyn n LEU 76 N -1.85 0.00 0.14 -1.84 4.77 -0.20 -4.40 117.00 113.62 2jyn n LEU 76 Ca 0.04 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 2jyn n LEU 76 Cb 0.28 0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.74 2jyn n LEU 76 CO 0.22 0.32 0.32 0.11 -1.33 0.00 0.00 177.39 177.03 2jyn h LYS 77 N 0.00 0.00 -7.32 3.23 1.79 -0.85 -3.42 116.57 110.00 2jyn h LYS 77 Ca -0.35 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.66 2jyn h LYS 77 Cb 1.80 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 32.61 2jyn h LYS 77 CO 0.02 0.11 0.18 -0.08 -1.08 0.00 0.00 179.45 178.60 2jyn s THR 78 N -3.19 2.22 0.13 -0.16 -1.32 -0.95 -4.92 115.64 107.45 2jyn s THR 78 Ca 0.02 0.07 -0.14 0.00 -1.21 0.00 0.00 61.69 60.44 2jyn s THR 78 Cb 0.08 -2.48 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 2jyn s THR 78 CO 0.74 -0.09 1.56 0.50 -2.21 0.00 0.00 174.62 175.12 2jyn h LYS 79 N -1.92 0.77 0.00 7.08 3.64 -1.92 -2.84 116.57 121.38 2jyn h LYS 79 Ca -0.54 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 58.56 2jyn h LYS 79 Cb 1.32 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2jyn h LYS 79 CO 0.55 0.87 -0.04 0.93 -2.27 0.00 0.00 179.45 179.50 2jyn h GLU 80 N 0.60 0.00 -0.33 1.90 5.08 -1.94 -1.59 114.58 118.30 2jyn h GLU 80 Ca 0.11 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 2jyn h GLU 80 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2jyn h GLU 80 CO 0.03 0.04 -0.43 0.00 -1.00 0.00 0.00 179.01 177.65 2jyn h ALA 81 N 1.96 0.60 -0.86 3.43 0.00 -1.71 -1.40 119.26 121.28 2jyn h ALA 81 Ca -0.00 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2jyn h ALA 81 Cb 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2jyn h ALA 81 CO 0.01 0.68 0.57 0.87 0.00 0.00 0.00 179.25 181.37 2jyn h LYS 82 N 0.68 1.09 0.26 0.00 1.79 -1.19 -0.07 116.57 119.13 2jyn h LYS 82 Ca 0.05 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2jyn h LYS 82 Cb 1.02 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2jyn h LYS 82 CO 0.10 0.72 -0.13 0.93 -1.08 0.00 0.00 179.45 180.00 2jyn h GLU 83 N 1.13 -0.34 -0.24 3.15 5.08 -1.42 -2.71 114.58 119.23 2jyn h GLU 83 Ca 0.33 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.77 2jyn h GLU 83 Cb -0.06 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 2jyn h GLU 83 CO -0.08 -0.07 -0.23 0.00 -1.00 0.00 0.00 179.01 177.63 2jyn h ARG 84 N -0.59 -0.23 -0.65 2.33 3.08 -0.59 -1.11 114.38 116.62 2jyn h ARG 84 Ca -0.04 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2jyn h ARG 84 Cb 0.43 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2jyn h ARG 84 CO 0.06 -0.15 0.36 -1.49 -1.07 0.00 0.00 179.97 177.67 2jyn h TRP 85 N -0.24 0.88 0.31 3.04 4.06 -1.13 -1.90 115.95 120.97 2jyn h TRP 85 Ca 0.14 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 2jyn h TRP 85 Cb 0.44 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 2jyn h TRP 85 CO -0.38 0.62 -0.15 -0.09 -3.56 0.00 0.00 178.44 174.87 2jyn h ARG 86 N 0.91 -0.40 0.00 0.49 2.43 -0.96 -0.77 114.38 116.07 2jyn h ARG 86 Ca 0.23 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2jyn h ARG 86 Cb 0.03 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2jyn h ARG 86 CO -0.04 -0.08 -0.09 0.87 -1.51 0.00 0.00 179.97 179.13 2jyn h LYS 87 N -0.79 0.00 0.09 0.20 6.56 -1.18 -0.93 116.57 120.53 2jyn h LYS 87 Ca -0.04 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.29 2jyn h LYS 87 Cb 0.51 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.20 2jyn h LYS 87 CO 0.07 0.09 -1.07 0.35 -2.06 0.00 0.00 179.45 176.83 2jyn h PHE 88 N 0.00 0.91 -0.29 -1.35 3.57 -1.34 -3.31 116.94 115.12 2jyn h PHE 88 Ca -0.00 -0.56 -0.00 0.00 3.53 0.00 0.00 57.97 60.94 2jyn h PHE 88 Cb 0.18 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2jyn h PHE 88 CO 0.00 1.40 0.18 0.35 -2.23 0.00 0.00 178.31 178.01 2jyn h PHE 89 N 0.16 0.38 0.00 0.41 3.57 -0.56 -3.05 116.94 117.86 2jyn h PHE 89 Ca -0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2jyn h PHE 89 Cb 1.76 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2jyn h PHE 89 CO 0.13 0.28 0.06 1.79 -2.23 0.00 0.00 178.31 178.34 2jyn h THR 90 N 0.38 0.00 0.00 4.41 1.35 -1.27 0.28 112.91 118.05 2jyn h THR 90 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.97 2jyn h THR 90 Cb 0.01 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 2jyn h THR 90 CO -0.02 0.00 -0.00 0.40 -0.25 0.00 0.00 175.52 175.65 2jyn h ILE 91 N 0.00 1.70 -0.68 6.82 2.04 -1.64 -3.39 117.51 122.36 2jyn h ILE 91 Ca 0.00 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.80 2jyn h ILE 91 Cb 0.11 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 2jyn h ILE 91 CO 0.00 0.54 0.00 0.49 0.00 0.00 0.00 178.15 179.18 2jyn n PHE 92 N -4.67 0.90 -0.15 1.37 3.72 0.15 -4.35 117.46 114.43 2jyn n PHE 92 Ca -0.10 -0.47 0.15 0.00 -0.05 0.00 0.00 57.45 56.99 2jyn n PHE 92 Cb 0.42 -0.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.47 2jyn n PHE 92 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2jyn h GLU 93 N 4.24 0.39 0.00 -1.08 4.11 -0.77 0.24 114.58 121.70 2jyn h GLU 93 Ca 0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.26 2jyn h GLU 93 Cb 0.98 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2jyn h GLU 93 CO 0.00 0.26 -0.69 0.87 0.07 0.00 0.00 179.01 179.52 2jyn h LYS 94 N 0.40 0.00 0.00 1.06 1.79 -1.86 -3.35 116.57 114.60 2jyn h LYS 94 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 2jyn h LYS 94 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2jyn h LYS 94 CO -0.11 0.69 -0.31 0.36 -1.08 0.00 0.00 179.45 179.00 2jyn n LYS 95 N -3.34 0.16 -2.80 3.15 0.00 -0.82 -4.78 118.16 109.73 2jyn n LYS 95 Ca 0.01 0.06 -0.44 0.00 -0.00 0.00 0.00 58.31 57.95 2jyn n LYS 95 Cb 0.78 -0.69 -0.00 0.00 -0.00 0.00 0.00 35.03 35.12 2jyn n LYS 95 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2jyn s ILE 96 N -1.76 4.66 0.13 0.58 -1.09 0.77 -4.76 121.20 119.73 2jyn s ILE 96 Ca -0.09 -2.28 0.03 0.00 -2.23 0.00 0.00 60.65 56.08 2jyn s ILE 96 Cb 0.01 -5.01 -0.20 0.00 -1.58 0.00 0.00 42.46 35.68 2jyn s ILE 96 CO 0.13 -1.77 1.29 -0.33 -1.23 0.00 0.00 174.94 173.03 2jyn h GLU 97 N 7.46 0.14 -1.36 2.79 5.08 -1.72 -3.27 114.58 123.70 2jyn h GLU 97 Ca 0.35 -0.20 -0.29 0.00 -1.00 0.00 0.00 59.36 58.23 2jyn h GLU 97 Cb 0.88 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.06 2jyn h GLU 97 CO 1.32 1.03 0.37 -0.40 -1.00 0.00 0.00 179.01 180.34 2jyn n ASP 98 N -3.52 5.41 -0.09 1.42 5.75 -1.26 -4.62 116.55 119.65 2jyn n ASP 98 Ca -0.04 -2.95 0.05 0.00 -0.01 0.00 0.00 54.79 51.84 2jyn n ASP 98 Cb 0.91 -0.93 0.38 0.00 -1.03 0.00 0.00 41.12 40.46 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2jyn h TYR 99 N 1.13 0.64 -0.94 2.11 -0.00 -1.96 -2.46 116.97 115.50 2jyn h TYR 99 Ca 0.29 0.02 -0.51 0.00 -0.00 0.00 0.00 58.73 58.53 2jyn h TYR 99 Cb 1.23 -0.22 -0.29 0.00 -0.00 0.00 0.00 36.73 37.46 2jyn h TYR 99 CO 0.77 0.38 0.61 -1.71 -0.00 0.00 0.00 178.16 178.21 2jyn n ASN 100 N -4.47 4.04 0.11 0.10 5.15 -1.26 -0.18 115.26 118.75 2jyn n ASN 100 Ca 0.06 -3.65 -0.04 0.00 -0.60 0.00 0.00 54.58 50.36 2jyn n ASN 100 Cb 0.13 -0.83 0.13 0.00 -0.53 0.00 0.00 39.78 38.67 2jyn n ASN 100 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2jyn h PHE 101 N 1.11 0.14 -0.35 1.20 3.57 -1.82 -3.48 116.94 117.31 2jyn h PHE 101 Ca 0.60 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 62.04 2jyn h PHE 101 Cb 2.56 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 41.28 2jyn h PHE 101 CO 1.53 0.72 0.00 0.41 -2.23 0.00 0.00 178.31 178.75 2jyn n GLY 102 N 0.35 -0.82 2.97 2.40 0.00 -1.26 -4.93 105.19 103.89 2jyn n GLY 102 Ca -0.02 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 2jyn n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyn s THR 103 N -0.09 0.07 -0.10 2.61 2.01 -0.36 -4.70 115.64 115.07 2jyn s THR 103 Ca 0.00 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 2jyn s THR 103 Cb 0.00 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 2jyn s THR 103 CO 0.00 -0.30 1.00 -0.22 -0.69 0.00 0.00 174.62 174.41 2jyn s LEU 104 N -0.90 4.26 -0.09 4.42 0.20 -1.26 -2.01 118.68 123.30 2jyn s LEU 104 Ca -0.10 1.54 0.03 0.00 0.69 0.00 0.00 54.13 56.29 2jyn s LEU 104 Cb -0.06 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.16 2jyn s LEU 104 CO -0.00 -0.43 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.22 2jyn s LEU 105 N 1.93 1.89 0.33 -0.68 2.96 -0.81 -4.73 118.68 119.57 2jyn s LEU 105 Ca 0.48 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.65 2jyn s LEU 105 Cb -0.18 -1.17 -0.10 0.00 0.50 0.00 0.00 46.19 45.23 2jyn s LEU 105 CO 0.19 0.09 1.34 0.00 -1.32 0.00 0.00 176.35 176.65 2jyn s ARG 106 N 0.56 4.32 0.39 1.98 1.70 -1.26 -0.93 118.95 125.71 2jyn s ARG 106 Ca -0.15 2.27 0.18 0.00 -0.47 0.00 0.00 55.73 57.55 2jyn s ARG 106 Cb -0.17 -3.06 0.80 0.00 -0.57 0.00 0.00 34.95 31.94 2jyn s ARG 106 CO 0.05 -0.26 1.81 1.79 -1.08 0.00 0.00 175.30 177.61 2jyn h THR 107 N 3.09 0.98 -3.63 4.99 1.35 -1.50 -3.46 112.91 114.72 2jyn h THR 107 Ca -0.49 -1.34 -0.31 0.00 -0.55 0.00 0.00 66.41 63.72 2jyn h THR 107 Cb 1.23 1.78 -0.16 0.00 -1.73 0.00 0.00 68.15 69.26 2jyn h THR 107 CO 0.67 0.34 -0.72 -0.62 -0.25 0.00 0.00 175.52 174.94 2jyn s ASP 108 N -6.56 1.53 0.25 5.36 2.15 -1.26 -1.93 116.67 116.21 2jyn s ASP 108 Ca -0.01 -0.90 0.25 0.00 0.43 0.00 0.00 52.55 52.32 2jyn s ASP 108 Cb 0.12 0.01 0.93 0.00 -0.30 0.00 0.00 42.92 43.69 2jyn s ASP 108 CO 0.69 -0.31 1.74 0.00 -0.17 0.00 0.00 175.17 177.12 2jyn n ALA 109 N 0.26 1.86 -0.63 3.66 0.00 0.55 -2.36 120.51 123.85 2jyn n ALA 109 Ca -0.14 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.42 2jyn n ALA 109 Cb 0.59 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 18.74 2jyn n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jyn n SER 110 N -2.27 2.57 -4.79 0.00 2.88 -1.26 -4.79 113.62 105.97 2jyn n SER 110 Ca 0.03 -2.63 -0.34 0.00 -1.33 0.00 0.00 58.87 54.60 2jyn n SER 110 Cb 0.30 -0.30 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jyn s ALA 111 N -2.09 2.76 0.61 -1.46 0.00 -0.99 -5.08 121.76 115.49 2jyn s ALA 111 Ca 0.23 0.65 0.08 0.00 0.00 0.00 0.00 51.96 52.92 2jyn s ALA 111 Cb 0.19 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 20.11 2jyn s ALA 111 CO 0.05 -0.62 0.84 -1.83 0.00 0.00 0.00 175.76 174.19 2jyn s GLU 112 N -3.44 2.17 -0.78 0.00 -1.05 -1.26 -4.98 118.70 109.36 2jyn s GLU 112 Ca 0.69 -1.60 -0.23 0.00 -0.15 0.00 0.00 54.97 53.68 2jyn s GLU 112 Cb -0.19 -2.60 0.07 0.00 -0.44 0.00 0.00 34.13 30.97 2jyn s GLU 112 CO 0.27 -0.99 1.14 1.52 0.95 0.00 0.00 175.26 178.14 2jyn s TYR 113 N -2.76 2.65 -0.21 4.83 1.13 -1.26 -4.51 117.35 117.22 2jyn s TYR 113 Ca 0.63 -0.64 -0.28 0.00 -1.41 0.00 0.00 57.07 55.38 2jyn s TYR 113 Cb -0.05 -4.43 0.12 0.00 -1.10 0.00 0.00 41.96 36.50 2jyn s TYR 113 CO 0.40 -1.76 0.99 0.20 -2.51 0.00 0.00 175.55 172.87 2jyn s GLY 114 N 3.88 -0.24 0.34 5.49 0.00 -1.26 -5.04 107.32 110.49 2jyn s GLY 114 Ca 0.31 2.28 0.24 0.00 0.00 0.00 0.00 44.72 47.54 2jyn s GLY 114 CO 0.05 1.39 1.73 1.46 0.00 0.00 0.00 173.10 177.73 2jyn h GLN 115 N 3.34 0.00 0.10 2.90 4.20 -1.92 0.29 115.11 124.02 2jyn h GLN 115 Ca -0.23 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.30 2jyn h GLN 115 Cb 1.17 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.97 2jyn h GLN 115 CO 0.22 0.00 -0.74 0.35 -0.67 0.00 0.00 178.83 177.99 2jyn h PHE 116 N 0.00 0.55 -0.43 2.96 3.57 -1.97 -3.35 116.94 118.27 2jyn h PHE 116 Ca 0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2jyn h PHE 116 Cb 0.10 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2jyn h PHE 116 CO 0.00 1.26 0.00 0.25 -2.23 0.00 0.00 178.31 177.59 2jyn n THR 117 N -4.16 0.57 -4.05 4.41 -2.24 0.18 -4.90 114.28 104.09 2jyn n THR 117 Ca -0.13 -0.66 -0.08 0.00 -2.27 0.00 0.00 64.05 60.92 2jyn n THR 117 Cb 0.78 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 2jyn n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jyn s THR 118 N -1.43 0.18 -0.07 4.28 -4.23 0.78 -1.28 115.64 113.87 2jyn s THR 118 Ca 0.36 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 2jyn s THR 118 Cb 0.20 -1.02 0.03 0.00 1.34 0.00 0.00 72.50 73.05 2jyn s THR 118 CO 0.27 -0.80 0.17 0.00 -0.54 0.00 0.00 174.62 173.72 2jyn s PHE 120 N 0.82 2.93 0.23 0.00 0.40 -1.26 -1.93 117.98 119.18 2jyn s PHE 120 Ca -0.06 0.93 0.01 0.00 -0.60 0.00 0.00 56.93 57.21 2jyn s PHE 120 Cb -0.08 -4.08 -0.00 0.00 0.51 0.00 0.00 43.02 39.37 2jyn s PHE 120 CO -0.04 -1.12 0.02 1.33 0.70 0.00 0.00 175.22 176.11 2jyn n VAL 121 N 6.40 0.00 -1.90 -0.44 0.24 -0.85 -4.99 118.33 116.79 2jyn n VAL 121 Ca 0.12 -1.16 -0.30 0.00 -2.04 0.00 0.00 64.34 60.96 2jyn n VAL 121 Cb 0.48 0.29 0.04 0.00 -1.47 0.00 0.00 33.84 33.18 2jyn n VAL 121 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2jyn s VAL 122 N -2.01 3.65 0.21 3.34 -7.23 -1.26 -1.23 120.40 115.88 2jyn s VAL 122 Ca 0.03 0.52 -0.08 0.00 -1.81 0.00 0.00 61.98 60.64 2jyn s VAL 122 Cb 0.00 -3.53 0.15 0.00 0.56 0.00 0.00 36.38 33.57 2jyn s VAL 122 CO 0.02 -0.69 1.77 0.03 -0.31 0.00 0.00 175.10 175.92 2jyn h ARG 123 N -0.60 0.52 -0.77 4.82 3.08 -0.86 -1.68 114.38 118.89 2jyn h ARG 123 Ca -0.45 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.68 2jyn h ARG 123 Cb 1.24 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.10 2jyn h ARG 123 CO 0.63 0.34 0.39 1.25 -1.07 0.00 0.00 179.97 181.52 2jyn h LEU 124 N 0.54 0.51 -0.01 3.04 7.12 -1.89 -1.07 115.31 123.54 2jyn h LEU 124 Ca 0.32 0.07 -0.26 0.00 0.13 0.00 0.00 57.88 58.14 2jyn h LEU 124 Cb 0.34 -0.02 0.01 0.00 -0.53 0.00 0.00 40.66 40.46 2jyn h LEU 124 CO -0.26 0.27 -1.11 1.56 -0.13 0.00 0.00 178.44 178.76 2jyn h GLN 125 N 0.64 0.37 0.12 1.25 1.08 -1.82 -1.71 115.11 115.04 2jyn h GLN 125 Ca 0.39 -0.50 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 2jyn h GLN 125 Cb 0.45 0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 2jyn h GLN 125 CO -0.29 1.19 -0.26 0.35 -0.95 0.00 0.00 178.83 178.86 2jyn h PHE 126 N 0.16 -0.69 0.68 2.96 3.57 -0.78 -2.87 116.94 119.97 2jyn h PHE 126 Ca -0.12 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 2jyn h PHE 126 Cb 1.79 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.81 2jyn h PHE 126 CO 0.07 -0.36 -0.49 1.88 -2.23 0.00 0.00 178.31 177.18 2jyn h TYR 127 N -0.47 -1.32 -0.84 0.41 0.05 -1.27 -2.62 116.97 110.91 2jyn h TYR 127 Ca 0.03 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.89 2jyn h TYR 127 Cb 0.49 0.49 -0.11 0.00 1.01 0.00 0.00 36.73 38.61 2jyn h TYR 127 CO -0.24 -0.70 -0.57 0.00 -1.05 0.00 0.00 178.16 175.60 2jyn h ALA 128 N -1.01 -0.56 -0.04 3.88 0.00 -1.22 0.92 119.26 121.23 2jyn h ALA 128 Ca -0.09 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2jyn h ALA 128 Cb 0.92 1.28 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 2jyn h ALA 128 CO 0.05 -0.97 -0.82 0.74 0.00 0.00 0.00 179.25 178.25 2jyn h PHE 129 N -0.10 0.52 -0.11 0.00 0.04 -1.61 -2.98 116.94 112.70 2jyn h PHE 129 Ca 0.15 -0.26 -0.20 0.00 2.80 0.00 0.00 57.97 60.46 2jyn h PHE 129 Cb 0.47 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.56 2jyn h PHE 129 CO -0.94 1.04 -0.71 1.49 -0.60 0.00 0.00 178.31 178.59 2jyn h GLU 130 N 0.23 0.68 -0.72 1.51 4.57 -0.85 -2.63 114.58 117.36 2jyn h GLU 130 Ca -0.05 -0.58 0.03 0.00 -1.18 0.00 0.00 59.36 57.58 2jyn h GLU 130 Cb 1.42 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 30.10 2jyn h GLU 130 CO 0.14 1.19 0.46 0.82 -1.18 0.00 0.00 179.01 180.44 2jyn h ILE 131 N 0.35 1.11 -0.47 2.32 2.04 -0.97 -1.40 117.51 120.49 2jyn h ILE 131 Ca -0.06 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.59 2jyn h ILE 131 Cb 1.35 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 2jyn h ILE 131 CO 0.15 0.16 -0.03 0.00 0.00 0.00 0.00 178.15 178.43 2jyn h ALA 132 N 1.30 0.42 -0.82 1.87 0.00 -1.42 0.16 119.26 120.76 2jyn h ALA 132 Ca 0.28 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.36 2jyn h ALA 132 Cb -0.01 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2jyn h ALA 132 CO -0.10 -0.40 0.54 0.00 0.00 0.00 0.00 179.25 179.29 2jyn h ARG 133 N 0.09 1.05 -0.55 0.00 3.08 -1.09 -1.63 114.38 115.33 2jyn h ARG 133 Ca 0.24 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2jyn h ARG 133 Cb 0.36 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2jyn h ARG 133 CO -0.42 0.69 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.25 2jyn h ASN 134 N 1.08 0.93 -0.42 7.04 -0.26 -0.14 0.12 115.58 123.93 2jyn h ASN 134 Ca 0.31 -0.26 -0.15 0.00 -0.56 0.00 0.00 56.30 55.65 2jyn h ASN 134 Cb -0.07 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 36.93 2jyn h ASN 134 CO -0.08 1.00 -0.32 0.11 -1.06 0.00 0.00 177.43 177.07 2jyn h LYS 135 N 0.87 0.96 -0.09 0.81 1.79 -0.45 -2.64 116.57 117.82 2jyn h LYS 135 Ca 0.16 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2jyn h LYS 135 Cb 0.54 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2jyn h LYS 135 CO 0.03 1.13 0.00 0.72 -1.08 0.00 0.00 179.45 180.25 2jyn n HIS 136 N -4.08 0.11 -1.69 -1.35 8.25 -0.64 -4.93 115.22 110.90 2jyn n HIS 136 Ca -0.01 -0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 2jyn n HIS 136 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 2jyn n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jyn n GLY 137 N 1.05 0.91 0.00 -1.41 0.00 -0.57 -4.89 105.19 100.28 2jyn n GLY 137 Ca 0.17 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2jyn n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jyn n LEU 138 N -1.72 0.00 -1.48 0.99 4.77 0.32 -2.27 117.00 117.61 2jyn n LEU 138 Ca -0.15 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.93 2jyn n LEU 138 Cb 0.51 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.94 2jyn n LEU 138 CO 0.21 0.00 0.80 0.59 -1.33 0.00 0.00 177.39 177.65 2jyn n ASN 139 N -0.91 4.51 -0.16 -1.43 4.13 -1.25 -4.55 115.26 115.59 2jyn n ASN 139 Ca 0.17 -2.36 -0.01 0.00 1.68 0.00 0.00 54.58 54.06 2jyn n ASN 139 Cb 0.08 -0.55 0.22 0.00 -1.54 0.00 0.00 39.78 37.99 2jyn n ASN 139 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 2jyn h ASP 140 N 3.97 0.80 0.36 6.41 3.58 -1.82 -2.45 116.42 127.27 2jyn h ASP 140 Ca 0.00 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.25 2jyn h ASP 140 Cb 1.33 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 2jyn h ASP 140 CO 0.18 0.69 -0.47 4.11 -2.88 0.00 0.00 179.24 180.87 2jyn h TRP 141 N 0.88 0.16 -0.25 0.28 5.08 -1.86 -2.87 115.95 117.38 2jyn h TRP 141 Ca 0.21 -0.05 -0.08 0.00 1.08 0.00 0.00 58.89 60.06 2jyn h TRP 141 Cb 0.12 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.24 2jyn h TRP 141 CO 0.01 0.58 -0.16 0.82 -1.28 0.00 0.00 178.44 178.41 2jyn h ILE 142 N 0.11 1.31 0.00 0.12 2.04 -1.77 -2.59 117.51 116.73 2jyn h ILE 142 Ca 0.01 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2jyn h ILE 142 Cb 0.88 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2jyn h ILE 142 CO 0.07 0.40 0.00 1.33 0.00 0.00 0.00 178.15 179.94 2jyn n VAL 143 N -4.44 0.81 -1.58 1.67 0.24 -1.08 -2.26 118.33 111.68 2jyn n VAL 143 Ca -0.04 0.19 -0.15 0.00 -2.04 0.00 0.00 64.34 62.30 2jyn n VAL 143 Cb 0.38 -1.11 0.14 0.00 -1.47 0.00 0.00 33.84 31.77 2jyn n VAL 143 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jyn n GLY 144 N 0.10 5.43 3.18 7.63 0.00 -1.03 -4.82 105.19 115.68 2jyn n GLY 144 Ca 0.02 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 2jyn n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jyn n GLN 145 N -0.99 -0.24 0.00 1.61 1.13 -0.96 -4.96 117.38 112.97 2jyn n GLN 145 Ca 0.41 -2.10 0.14 0.00 -1.94 0.00 0.00 57.00 53.51 2jyn n GLN 145 Cb 0.98 -0.68 0.82 0.00 0.11 0.00 0.00 30.24 31.47 2jyn n GLN 145 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25