#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 6.11 -0.30 6.12 0.01 -1.26 -5.07 113.70 119.32 2jyn s SER 2 Ca 0.00 0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.18 2jyn s SER 2 Cb 0.00 -1.83 -0.02 0.00 0.21 0.00 0.00 66.02 64.39 2jyn s SER 2 CO 0.00 0.19 1.65 0.42 0.41 0.00 0.00 173.24 175.91 2jyn s THR 3 N -1.44 3.65 -0.18 1.44 -4.23 -1.26 -4.96 115.64 108.66 2jyn s THR 3 Ca 0.32 0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 61.23 2jyn s THR 3 Cb -0.13 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 2jyn s THR 3 CO 0.24 -0.42 1.73 -0.36 -0.54 0.00 0.00 174.62 175.27 2jyn s PHE 4 N 5.89 1.89 0.42 3.99 0.08 -1.26 -4.99 117.98 123.99 2jyn s PHE 4 Ca 0.73 0.41 0.02 0.00 0.12 0.00 0.00 56.93 58.21 2jyn s PHE 4 Cb -0.22 -4.00 -0.01 0.00 -0.57 0.00 0.00 43.02 38.22 2jyn s PHE 4 CO 0.32 -3.43 0.06 0.27 -0.10 0.00 0.00 175.22 172.34 2jyn n ASN 5 N 8.68 2.29 -4.55 1.36 0.23 -1.26 -5.07 115.26 116.93 2jyn n ASN 5 Ca 0.20 -3.01 -0.37 0.00 -0.53 0.00 0.00 54.58 50.87 2jyn n ASN 5 Cb 0.45 0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 38.73 2jyn n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jyn s ALA 6 N -2.90 2.33 0.57 -2.53 0.00 -1.26 -5.00 121.76 112.96 2jyn s ALA 6 Ca 0.09 -1.26 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 2jyn s ALA 6 Cb 0.00 -4.37 -0.04 0.00 0.00 0.00 0.00 23.12 18.71 2jyn s ALA 6 CO 0.06 -3.85 1.08 -2.00 0.00 0.00 0.00 175.76 171.05 2jyn s GLU 7 N 6.35 3.33 0.97 0.00 -6.30 -1.26 -5.02 118.70 116.77 2jyn s GLU 7 Ca 0.55 1.36 -0.11 0.00 -2.50 0.00 0.00 54.97 54.27 2jyn s GLU 7 Cb -0.08 -2.02 0.15 0.00 0.00 0.00 0.00 34.13 32.17 2jyn s GLU 7 CO 0.10 -0.82 0.94 2.41 0.02 0.00 0.00 175.26 177.91 2jyn n THR 8 N -1.73 0.00 0.00 -1.70 -1.04 -1.26 -4.82 114.28 103.73 2jyn n THR 8 Ca 0.10 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2jyn n THR 8 Cb 0.52 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 2jyn n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jyn n ALA 9 N -4.24 0.00 -1.84 2.41 0.00 -1.26 -4.86 120.51 110.72 2jyn n ALA 9 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.25 2jyn n ALA 9 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 2jyn n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jyn s ASP 10 N -3.64 4.74 0.34 0.00 1.01 -1.26 -4.67 116.67 113.18 2jyn s ASP 10 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.31 2jyn s ASP 10 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2jyn s ASP 10 CO 0.00 -2.96 0.00 -3.20 0.21 0.00 0.00 175.17 169.22 2jyn n ASN 11 N 15.19 -6.56 0.05 0.27 2.85 -1.26 -4.46 115.26 121.34 2jyn n ASN 11 Ca 0.36 0.88 -0.06 0.00 -0.11 0.00 0.00 54.58 55.65 2jyn n ASN 11 Cb 0.49 -3.07 0.11 0.00 1.24 0.00 0.00 39.78 38.54 2jyn n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2jyn h LEU 12 N 1.42 0.42 -1.25 1.20 3.38 -1.88 -2.38 115.31 116.24 2jyn h LEU 12 Ca 0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2jyn h LEU 12 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2jyn h LEU 12 CO 0.00 0.88 -0.08 1.05 0.09 0.00 0.00 178.44 180.38 2jyn h GLU 13 N 0.29 0.42 0.04 1.13 4.11 -1.98 -0.73 114.58 117.86 2jyn h GLU 13 Ca 0.01 -0.10 -0.23 0.00 0.07 0.00 0.00 59.36 59.11 2jyn h GLU 13 Cb 1.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2jyn h GLU 13 CO 0.09 0.51 -1.05 0.22 0.07 0.00 0.00 179.01 178.85 2jyn h ASP 14 N 0.40 0.13 -0.18 3.06 3.58 -1.75 -0.59 116.42 121.06 2jyn h ASP 14 Ca 0.08 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2jyn h ASP 14 Cb 0.39 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2jyn h ASP 14 CO 0.02 1.09 0.01 0.40 -2.88 0.00 0.00 179.24 177.88 2jyn h ILE 15 N 0.02 1.24 0.00 2.25 1.08 -1.09 -1.85 117.51 119.17 2jyn h ILE 15 Ca -0.05 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.57 2jyn h ILE 15 Cb 1.80 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 36.97 2jyn h ILE 15 CO 0.15 0.24 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.31 2jyn h GLU 16 N 0.08 0.00 0.60 2.37 5.08 -1.16 -1.04 114.58 120.51 2jyn h GLU 16 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2jyn h GLU 16 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jyn h GLU 16 CO 0.01 0.22 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.72 2jyn h LYS 17 N 0.00 -0.78 -0.96 2.33 3.64 -0.97 -0.92 116.57 118.92 2jyn h LYS 17 Ca -0.00 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2jyn h LYS 17 Cb 0.65 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 2jyn h LYS 17 CO 0.03 -0.52 0.61 1.96 -2.27 0.00 0.00 179.45 179.27 2jyn h GLN 18 N -1.12 1.11 0.08 1.90 4.20 -1.29 -2.24 115.11 117.76 2jyn h GLN 18 Ca -0.08 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2jyn h GLN 18 Cb 0.62 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2jyn h GLN 18 CO 0.14 0.74 -0.04 0.35 -0.67 0.00 0.00 178.83 179.34 2jyn h PHE 19 N 1.15 -0.10 -0.36 2.96 3.57 -1.28 -2.11 116.94 120.77 2jyn h PHE 19 Ca 0.40 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.91 2jyn h PHE 19 Cb 0.10 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2jyn h PHE 19 CO -0.01 0.11 0.23 0.00 -2.23 0.00 0.00 178.31 176.41 2jyn h ALA 20 N 0.59 0.45 0.00 2.41 0.00 -0.66 -0.13 119.26 121.93 2jyn h ALA 20 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jyn h ALA 20 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jyn h ALA 20 CO 0.02 -0.11 -0.00 -0.24 0.00 0.00 0.00 179.25 178.92 2jyn h VAL 21 N 0.46 1.40 0.00 0.00 3.04 -1.50 -2.80 116.25 116.85 2jyn h VAL 21 Ca 0.14 -1.19 -0.03 0.00 -1.01 0.00 0.00 66.70 64.60 2jyn h VAL 21 Cb -0.03 2.21 -0.00 0.00 -2.01 0.00 0.00 31.29 31.45 2jyn h VAL 21 CO -0.04 0.31 -0.16 1.62 -1.01 0.00 0.00 177.57 178.28 2jyn h VAL 22 N -0.51 0.94 0.32 1.51 3.04 -1.25 -1.43 116.25 118.88 2jyn h VAL 22 Ca -0.00 -0.59 -0.02 0.00 -1.01 0.00 0.00 66.70 65.08 2jyn h VAL 22 Cb 0.51 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2jyn h VAL 22 CO 0.00 0.16 -0.16 0.00 -1.01 0.00 0.00 177.57 176.56 2jyn h ALA 23 N 1.84 -0.44 -0.56 3.17 0.00 -1.03 -1.80 119.26 120.44 2jyn h ALA 23 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2jyn h ALA 23 Cb 0.32 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2jyn h ALA 23 CO 0.02 -0.49 -0.03 -0.39 0.00 0.00 0.00 179.25 178.36 2jyn h VAL 24 N -0.95 1.26 0.43 0.00 -1.51 -1.35 -2.80 116.25 111.33 2jyn h VAL 24 Ca -0.04 -1.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.25 2jyn h VAL 24 Cb 0.51 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2jyn h VAL 24 CO 0.07 0.41 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.29 2jyn h GLU 25 N 0.90 -0.55 -0.81 5.19 4.39 -1.36 -2.81 114.58 119.52 2jyn h GLU 25 Ca 0.16 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.00 2jyn h GLU 25 Cb 0.57 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.27 2jyn h GLU 25 CO 0.03 -0.27 0.45 0.37 -1.16 0.00 0.00 179.01 178.43 2jyn h GLN 26 N -0.78 0.71 0.09 2.33 5.75 -1.27 0.34 115.11 122.28 2jyn h GLN 26 Ca -0.06 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2jyn h GLN 26 Cb 0.54 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.93 2jyn h GLN 26 CO 0.10 0.47 -0.05 0.00 -2.65 0.00 0.00 178.83 176.70 2jyn h ALA 27 N 1.47 -0.13 0.00 3.38 0.00 -1.55 -1.92 119.26 120.51 2jyn h ALA 27 Ca 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2jyn h ALA 27 Cb 0.42 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jyn h ALA 27 CO -0.27 -0.48 0.00 1.05 0.00 0.00 0.00 179.25 179.55 2jyn h GLU 28 N -0.31 0.00 0.02 0.00 4.11 -1.12 -2.59 114.58 114.70 2jyn h GLU 28 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2jyn h GLU 28 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jyn h GLU 28 CO 0.02 0.00 -0.01 1.15 0.07 0.00 0.00 179.01 180.24 2jyn h THR 29 N 0.00 1.44 0.00 -1.06 2.02 -0.22 -1.80 112.91 113.29 2jyn h THR 29 Ca 0.00 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.57 2jyn h THR 29 Cb 0.69 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.57 2jyn h THR 29 CO 0.00 0.39 -0.19 1.88 0.37 0.00 0.00 175.52 177.97 2jyn h TYR 30 N -0.73 0.00 0.72 3.16 0.05 -1.35 0.62 116.97 119.44 2jyn h TYR 30 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2jyn h TYR 30 Cb 0.67 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.42 2jyn h TYR 30 CO 0.16 0.19 -0.35 2.35 -1.05 0.00 0.00 178.16 179.46 2jyn h TRP 31 N 0.00 -0.90 0.00 4.88 2.91 -1.48 -2.37 115.95 118.99 2jyn h TRP 31 Ca -0.00 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.95 2jyn h TRP 31 Cb 0.35 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.29 2jyn h TRP 31 CO 0.00 -0.54 -0.21 1.57 -1.03 0.00 0.00 178.44 178.23 2jyn h LYS 32 N -1.03 0.00 -0.15 2.65 5.09 -0.79 -1.55 116.57 120.79 2jyn h LYS 32 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.59 2jyn h LYS 32 Cb 0.76 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.08 2jyn h LYS 32 CO 0.16 0.21 -0.12 -0.07 -2.09 0.00 0.00 179.45 177.54 2jyn h LEU 33 N 0.00 0.37 -0.38 7.07 3.38 -0.92 -2.91 115.31 121.93 2jyn h LEU 33 Ca -0.00 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 2jyn h LEU 33 Cb 0.55 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jyn h LEU 33 CO 0.03 0.75 0.16 -0.07 0.09 0.00 0.00 178.44 179.40 2jyn h LEU 34 N -0.01 0.51 -2.35 1.67 3.38 -0.88 0.74 115.31 118.37 2jyn h LEU 34 Ca 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2jyn h LEU 34 Cb 0.63 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jyn h LEU 34 CO 0.03 0.52 -0.03 0.71 0.09 0.00 0.00 178.44 179.76 2jyn h THR 35 N 0.46 0.50 0.00 0.22 1.35 -1.35 -3.27 112.91 110.83 2jyn h THR 35 Ca 0.13 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2jyn h THR 35 Cb 0.16 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2jyn h THR 35 CO -0.01 0.03 -0.01 0.28 -0.25 0.00 0.00 175.52 175.56 2jyn h SER 36 N 0.00 0.00 -3.69 5.36 0.02 -1.27 -3.45 113.55 110.51 2jyn h SER 36 Ca -0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 2jyn h SER 36 Cb 0.09 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.45 2jyn h SER 36 CO 0.00 0.01 -0.72 0.68 -1.14 0.00 0.00 176.83 175.66 2jyn s VAL 37 N -1.02 3.48 1.00 2.27 -7.23 0.22 -5.10 120.40 114.02 2jyn s VAL 37 Ca -0.00 -0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 2jyn s VAL 37 Cb 0.00 -2.49 0.18 0.00 0.56 0.00 0.00 36.38 34.63 2jyn s VAL 37 CO 0.00 0.41 1.03 -2.65 -0.31 0.00 0.00 175.10 173.58 2jyn n PRO 38 N 1.64 -1.09 0.00 4.82 -0.02 -1.26 -3.62 135.00 135.47 2jyn n PRO 38 Ca -0.16 -0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.15 2jyn n PRO 38 Cb 0.52 -2.26 0.42 0.00 -0.02 0.00 0.00 33.50 32.16 2jyn n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jyn n GLY 39 N 0.63 -1.01 0.31 -1.23 0.00 -1.26 -3.52 105.19 99.11 2jyn n GLY 39 Ca 0.09 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.00 1.61 0.02 -1.91 -2.40 113.55 110.87 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 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2jyn h SER 40 CO 0.00 0.03 -0.13 2.29 -1.14 0.00 0.00 176.83 177.88 2jyn n LYS 41 N -3.29 4.29 -3.06 3.45 0.00 -1.23 -4.99 118.16 113.33 2jyn n LYS 41 Ca -0.02 -0.18 -0.41 0.00 -0.00 0.00 0.00 58.31 57.70 2jyn n LYS 41 Cb 0.16 -0.77 -0.06 0.00 -0.00 0.00 0.00 35.03 34.36 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 -1.72 4.07 0.10 -5.58 1.43 -0.90 -5.06 118.68 111.01 2jyn s LEU 42 Ca 0.02 0.75 0.08 0.00 -1.03 0.00 0.00 54.13 53.96 2jyn s LEU 42 Cb 0.03 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2jyn s LEU 42 CO 0.12 -0.41 -0.20 0.00 0.23 0.00 0.00 176.35 176.09 2jyn s ARG 43 N 2.59 1.11 -0.05 1.70 3.03 -1.26 -4.89 118.95 121.18 2jyn s ARG 43 Ca 0.28 -1.13 -0.01 0.00 2.03 0.00 0.00 55.73 56.90 2jyn s ARG 43 Cb -0.15 -1.35 -0.00 0.00 -1.03 0.00 0.00 34.95 32.42 2jyn s ARG 43 CO 0.08 0.31 -0.01 -0.07 -1.13 0.00 0.00 175.30 174.49 2jyn h LEU 44 N 4.14 0.00 0.00 -1.89 -0.00 -1.97 -3.49 115.31 112.10 2jyn h LEU 44 Ca -0.46 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.17 2jyn h LEU 44 Cb 1.18 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.79 2jyn h LEU 44 CO 0.40 0.26 -0.19 0.35 -0.00 0.00 0.00 178.44 179.25 2jyn n THR 45 N -3.35 0.00 0.51 0.22 -2.24 -1.26 -5.02 114.28 103.14 2jyn n THR 45 Ca -0.00 -0.97 0.13 0.00 -2.27 0.00 0.00 64.05 60.94 2jyn n THR 45 Cb 0.02 0.25 0.38 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.37 -0.78 1.57 -2.02 -3.26 116.57 111.71 2jyn h LYS 46 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2jyn h LYS 46 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2jyn h LYS 46 CO 0.25 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.32 2jyn n PHE 47 N -2.46 1.02 -0.07 -1.35 3.72 -1.26 -4.66 117.46 112.40 2jyn n PHE 47 Ca 0.05 -0.73 0.03 0.00 -0.05 0.00 0.00 57.45 56.75 2jyn n PHE 47 Cb 0.42 -0.25 0.37 0.00 -0.94 0.00 0.00 39.48 39.09 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 2.43 0.59 -0.10 4.37 2.03 -1.96 -1.84 116.42 121.93 2jyn h ASP 48 Ca 0.00 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.27 2jyn h ASP 48 Cb 1.32 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2jyn h ASP 48 CO 0.20 0.42 0.02 -2.24 -1.03 0.00 0.00 179.24 176.60 2jyn h ASP 49 N 0.69 0.16 0.66 4.15 2.03 -1.88 -2.64 116.42 119.59 2jyn h ASP 49 Ca 0.20 -0.26 -0.14 0.00 -0.73 0.00 0.00 57.03 56.10 2jyn h ASP 49 Cb -0.05 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 2jyn h ASP 49 CO -0.05 0.38 -0.66 1.05 -1.03 0.00 0.00 179.24 178.94 2jyn h GLU 50 N -0.06 0.01 -0.55 4.15 4.11 -1.82 -2.03 114.58 118.38 2jyn h GLU 50 Ca 0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 2jyn h GLU 50 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2jyn h GLU 50 CO 0.00 0.67 0.33 0.82 0.07 0.00 0.00 179.01 180.90 2jyn h ILE 51 N 0.00 1.17 -0.01 -1.06 2.04 -1.32 -0.85 117.51 117.48 2jyn h ILE 51 Ca -0.01 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 2jyn h ILE 51 Cb 1.17 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2jyn h ILE 51 CO 0.09 0.17 -0.00 0.22 0.00 0.00 0.00 178.15 178.63 2jyn h TYR 52 N 0.75 0.03 0.28 1.37 3.20 -1.29 -1.95 116.97 119.35 2jyn h TYR 52 Ca 0.20 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2jyn h TYR 52 Cb -0.01 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2jyn h TYR 52 CO -0.02 0.36 -0.13 0.93 -1.64 0.00 0.00 178.16 177.65 2jyn h GLU 53 N -0.31 -0.36 0.00 1.82 4.39 -1.33 -2.32 114.58 116.47 2jyn h GLU 53 Ca 0.00 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2jyn h GLU 53 Cb 0.35 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jyn h GLU 53 CO 0.00 -0.15 -0.06 -0.91 -1.16 0.00 0.00 179.01 176.73 2jyn h ASN 54 N -0.51 0.00 -0.17 1.42 2.35 -1.24 -1.17 115.58 116.26 2jyn h ASN 54 Ca -0.04 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 2jyn h ASN 54 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2jyn h ASN 54 CO 0.06 0.06 -0.32 0.15 -1.65 0.00 0.00 177.43 175.73 2jyn h PHE 55 N 0.00 0.64 0.00 1.19 3.57 -1.05 -2.17 116.94 119.12 2jyn h PHE 55 Ca -0.00 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2jyn h PHE 55 Cb 0.22 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2jyn h PHE 55 CO 0.00 0.95 0.00 0.00 -2.23 0.00 0.00 178.31 177.03 2jyn h MET 56 N 0.15 0.00 0.00 1.11 -0.00 -0.78 -0.94 114.93 114.47 2jyn h MET 56 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.62 2jyn h MET 56 Cb 0.91 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.49 2jyn h MET 56 CO 0.07 0.00 -0.50 0.93 -0.00 0.00 0.00 176.91 177.41 2jyn h GLU 57 N 0.00 0.00 0.00 -0.10 5.08 -1.29 -3.17 114.58 115.10 2jyn h GLU 57 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2jyn h GLU 57 Cb 0.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2jyn h GLU 57 CO 0.00 0.81 -0.86 0.00 -1.00 0.00 0.00 179.01 177.95 2jyn h ARG 58 N -1.00 0.03 -2.87 2.33 -0.00 -1.49 -3.36 114.38 108.02 2jyn h ARG 58 Ca -0.13 -0.03 -0.61 0.00 -0.50 0.00 0.00 59.98 58.71 2jyn h ARG 58 Cb 0.96 0.01 -0.42 0.00 0.00 0.00 0.00 29.97 30.52 2jyn h ARG 58 CO -0.08 0.87 -0.60 1.19 0.00 0.00 0.00 179.97 181.35 2jyn n PHE 59 N -3.54 3.08 1.63 3.04 3.01 -0.36 -4.90 117.46 119.42 2jyn n PHE 59 Ca -0.01 -4.23 0.14 0.00 1.01 0.00 0.00 57.45 54.36 2jyn n PHE 59 Cb 0.82 -0.57 0.79 0.00 -0.01 0.00 0.00 39.48 40.52 2jyn n PHE 59 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2jyn n PRO 60 N 1.78 0.75 0.15 -1.08 -0.04 -1.20 -2.57 135.00 132.80 2jyn n PRO 60 Ca 0.22 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.74 2jyn n PRO 60 Cb 0.37 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.03 0.54 4.11 -1.90 -3.35 114.58 114.01 2jyn h GLU 61 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 2jyn h GLU 61 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2jyn h GLU 61 CO 0.00 0.37 -1.14 0.10 0.07 0.00 0.00 179.01 178.41 2jyn h TYR 62 N 0.00 0.12 -0.14 2.06 -0.00 -1.84 -3.37 116.97 113.80 2jyn h TYR 62 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 58.73 58.67 2jyn h TYR 62 Cb 1.31 -0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.03 2jyn h TYR 62 CO 0.00 1.07 0.31 1.57 -0.00 0.00 0.00 178.16 181.12 2jyn h LYS 63 N 0.02 0.00 -6.33 0.10 2.10 -1.70 -3.38 116.57 107.39 2jyn h LYS 63 Ca -0.07 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.97 2jyn h LYS 63 Cb 1.84 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 33.20 2jyn h LYS 63 CO 0.14 0.00 1.01 -0.25 -2.00 0.00 0.00 179.45 178.35 2jyn n ASP 64 N -3.26 3.31 0.04 7.07 9.92 -1.26 -4.89 116.55 127.47 2jyn n ASP 64 Ca 0.01 1.00 0.19 0.00 -0.53 0.00 0.00 54.79 55.47 2jyn n ASP 64 Cb 0.41 -1.37 0.70 0.00 -0.64 0.00 0.00 41.12 40.21 2jyn n ASP 64 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2jyn h VAL 65 N 4.98 0.71 -0.90 2.53 2.07 -1.97 -0.68 116.25 122.99 2jyn h VAL 65 Ca -0.48 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jyn h VAL 65 Cb 1.27 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2jyn h VAL 65 CO 0.93 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 178.74 2jyn h GLU 66 N 0.00 1.22 0.00 1.57 4.39 -1.90 0.03 114.58 119.89 2jyn h GLU 66 Ca 0.22 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2jyn h GLU 66 Cb 0.92 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2jyn h GLU 66 CO -0.00 0.85 -0.32 0.00 -1.16 0.00 0.00 179.01 178.38 2jyn h ARG 67 N 1.24 0.00 0.08 2.33 2.47 -1.30 -2.96 114.38 116.24 2jyn h ARG 67 Ca 0.32 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.74 2jyn h ARG 67 Cb -0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 2jyn h ARG 67 CO -0.06 0.32 -1.59 0.28 0.56 0.00 0.00 179.97 179.48 2jyn h VAL 68 N 0.00 1.06 0.00 2.04 2.07 -1.27 -3.37 116.25 116.78 2jyn h VAL 68 Ca -0.00 -2.76 -0.02 0.00 0.82 0.00 0.00 66.70 64.74 2jyn h VAL 68 Cb 0.96 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2jyn h VAL 68 CO 0.04 0.77 -0.19 0.07 0.02 0.00 0.00 177.57 178.29 2jyn h LYS 69 N 0.05 0.00 -2.06 1.57 2.10 -1.01 -3.44 116.57 113.78 2jyn h LYS 69 Ca -0.26 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.42 2jyn h LYS 69 Cb 2.00 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 33.14 2jyn h LYS 69 CO 0.13 0.08 0.38 -1.59 -2.00 0.00 0.00 179.45 176.45 2jyn s LYS 70 N -3.18 0.88 0.18 0.07 0.00 -1.12 -0.77 119.74 115.80 2jyn s LYS 70 Ca 0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 55.97 55.91 2jyn s LYS 70 Cb 0.06 0.41 -0.00 0.00 0.00 0.00 0.00 37.83 38.30 2jyn s LYS 70 CO 0.69 -0.32 0.36 -0.59 0.00 0.00 0.00 175.35 175.49 2jyn s PHE 71 N -1.95 0.30 0.11 1.78 -0.12 -0.70 -4.27 117.98 113.13 2jyn s PHE 71 Ca -0.03 -0.66 -0.02 0.00 -0.05 0.00 0.00 56.93 56.18 2jyn s PHE 71 Cb -0.01 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.40 2jyn s PHE 71 CO -0.00 -0.80 0.29 0.99 -0.05 0.00 0.00 175.22 175.65 2jyn s THR 72 N -3.96 5.28 0.18 -4.49 2.01 -1.26 -4.76 115.64 108.64 2jyn s THR 72 Ca 0.17 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2jyn s THR 72 Cb 0.02 -3.64 -0.11 0.00 0.01 0.00 0.00 72.50 68.78 2jyn s THR 72 CO 0.01 0.07 1.44 1.05 -0.69 0.00 0.00 174.62 176.50 2jyn h GLU 73 N 2.87 0.30 -0.29 4.92 4.11 -1.97 -3.34 114.58 121.19 2jyn h GLU 73 Ca -0.46 -0.26 -0.09 0.00 0.07 0.00 0.00 59.36 58.62 2jyn h GLU 73 Cb 1.16 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2jyn h GLU 73 CO 0.74 0.92 -0.18 0.93 0.07 0.00 0.00 179.01 181.49 2jyn h GLU 74 N 0.20 0.53 0.00 1.06 5.08 -1.99 -1.41 114.58 118.05 2jyn h GLU 74 Ca -0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2jyn h GLU 74 Cb 1.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2jyn h GLU 74 CO 0.12 0.69 0.00 -0.85 -1.00 0.00 0.00 179.01 177.97 2jyn n GLU 75 N -4.16 0.08 -0.03 2.33 0.28 -1.25 -2.07 120.64 115.82 2jyn n GLU 75 Ca 0.00 0.09 -0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2jyn n GLU 75 Cb 0.37 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.61 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 -1.45 0.54 0.24 -1.84 4.77 -0.59 -4.35 117.00 114.31 2jyn n LEU 76 Ca 0.07 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 2jyn n LEU 76 Cb 0.26 0.22 0.43 0.00 -2.33 0.00 0.00 43.42 42.00 2jyn n LEU 76 CO 0.21 0.30 0.86 0.11 -1.33 0.00 0.00 177.39 177.54 2jyn h LYS 77 N 0.00 0.00 -7.06 3.23 1.79 -0.81 -3.39 116.57 110.33 2jyn h LYS 77 Ca -0.30 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.69 2jyn h LYS 77 Cb 1.85 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 32.54 2jyn h LYS 77 CO 0.05 0.09 0.41 -0.08 -1.08 0.00 0.00 179.45 178.84 2jyn s THR 78 N -3.48 3.51 0.31 -0.16 -1.32 -1.14 -4.92 115.64 108.45 2jyn s THR 78 Ca 0.03 0.98 0.00 0.00 -1.21 0.00 0.00 61.69 61.50 2jyn s THR 78 Cb 0.08 -3.42 0.27 0.00 -1.51 0.00 0.00 72.50 67.92 2jyn s THR 78 CO 0.62 -0.16 1.96 0.50 -2.21 0.00 0.00 174.62 175.33 2jyn h LYS 79 N 1.62 0.99 -0.56 7.08 3.64 -1.95 -2.05 116.57 125.35 2jyn h LYS 79 Ca -0.49 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 58.94 2jyn h LYS 79 Cb 1.24 -0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.73 2jyn h LYS 79 CO 0.59 0.66 -0.05 0.93 -2.27 0.00 0.00 179.45 179.31 2jyn h GLU 80 N 1.02 0.07 -0.59 1.90 4.39 -1.94 -1.41 114.58 118.02 2jyn h GLU 80 Ca 0.32 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.92 2jyn h GLU 80 Cb 0.00 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2jyn h GLU 80 CO -0.09 0.05 0.02 0.00 -1.16 0.00 0.00 179.01 177.83 2jyn h ALA 81 N 1.52 0.79 -0.86 3.43 0.00 -1.62 -1.88 119.26 120.64 2jyn h ALA 81 Ca 0.28 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2jyn h ALA 81 Cb 0.44 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2jyn h ALA 81 CO -0.51 0.60 0.56 0.87 0.00 0.00 0.00 179.25 180.77 2jyn h LYS 82 N 0.91 1.06 -0.39 0.00 1.57 -0.97 0.17 116.57 118.92 2jyn h LYS 82 Ca 0.17 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2jyn h LYS 82 Cb 0.52 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2jyn h LYS 82 CO 0.03 0.70 -0.12 0.93 -0.57 0.00 0.00 179.45 180.42 2jyn h GLU 83 N 1.09 0.77 -0.79 3.15 5.08 -1.15 -1.42 114.58 121.31 2jyn h GLU 83 Ca 0.34 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2jyn h GLU 83 Cb -0.02 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 2jyn h GLU 83 CO -0.11 0.92 0.51 0.00 -1.00 0.00 0.00 179.01 179.33 2jyn h ARG 84 N 0.58 0.98 0.00 2.33 3.08 -0.62 -0.68 114.38 120.05 2jyn h ARG 84 Ca 0.10 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2jyn h ARG 84 Cb 0.65 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2jyn h ARG 84 CO 0.04 0.65 -0.12 -1.49 -1.07 0.00 0.00 179.97 177.98 2jyn h TRP 85 N 1.01 0.00 0.15 3.04 -0.00 -0.95 -1.71 115.95 117.49 2jyn h TRP 85 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.19 2jyn h TRP 85 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.14 2jyn h TRP 85 CO -0.03 0.12 -0.07 -0.09 -0.00 0.00 0.00 178.44 178.37 2jyn h ARG 86 N 0.00 -0.19 -0.61 0.49 2.43 -0.24 -0.36 114.38 115.90 2jyn h ARG 86 Ca -0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 2jyn h ARG 86 Cb 0.84 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 2jyn h ARG 86 CO 0.02 0.24 0.40 0.87 -1.51 0.00 0.00 179.97 179.99 2jyn h LYS 87 N -0.72 0.60 -0.06 0.20 6.56 -1.12 -0.79 116.57 121.24 2jyn h LYS 87 Ca -0.02 -0.04 -0.19 0.00 -1.06 0.00 0.00 60.65 59.35 2jyn h LYS 87 Cb 0.52 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.05 2jyn h LYS 87 CO 0.03 0.40 -0.69 0.35 -2.06 0.00 0.00 179.45 177.48 2jyn h PHE 88 N 0.62 0.81 -0.40 -1.35 3.57 -1.36 -3.26 116.94 115.56 2jyn h PHE 88 Ca 0.26 -0.40 0.04 0.00 3.53 0.00 0.00 57.97 61.40 2jyn h PHE 88 Cb 0.24 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2jyn h PHE 88 CO -0.00 1.21 0.18 0.35 -2.23 0.00 0.00 178.31 177.82 2jyn h PHE 89 N 0.18 0.33 0.00 0.41 3.57 -0.57 -2.87 116.94 117.99 2jyn h PHE 89 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2jyn h PHE 89 Cb 1.36 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2jyn h PHE 89 CO 0.12 0.16 0.00 1.79 -2.23 0.00 0.00 178.31 178.15 2jyn h THR 90 N 0.37 0.00 -0.12 4.41 1.35 -1.20 0.35 112.91 118.07 2jyn h THR 90 Ca 0.18 -0.14 -0.09 0.00 -0.55 0.00 0.00 66.41 65.81 2jyn h THR 90 Cb 0.11 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2jyn h THR 90 CO -0.14 0.00 -0.28 0.40 -0.25 0.00 0.00 175.52 175.24 2jyn h ILE 91 N 0.00 1.38 -0.28 6.82 2.04 -1.55 -3.37 117.51 122.55 2jyn h ILE 91 Ca 0.00 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.28 2jyn h ILE 91 Cb 0.18 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2jyn h ILE 91 CO 0.00 0.46 0.00 0.49 0.00 0.00 0.00 178.15 179.10 2jyn n PHE 92 N -4.43 0.35 0.26 1.37 3.72 0.26 -4.40 117.46 114.59 2jyn n PHE 92 Ca -0.07 -0.20 0.11 0.00 -0.05 0.00 0.00 57.45 57.24 2jyn n PHE 92 Cb 0.47 -0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.69 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 3.98 0.00 0.00 -1.08 4.11 -0.61 0.32 114.58 121.31 2jyn h GLU 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jyn h GLU 93 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2jyn h GLU 93 CO 0.00 0.13 0.00 0.87 0.07 0.00 0.00 179.01 180.08 2jyn h LYS 94 N 0.00 0.00 0.00 1.06 1.79 -1.86 -3.42 116.57 114.14 2jyn h LYS 94 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jyn h LYS 94 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2jyn h LYS 94 CO 0.02 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.75 2jyn n LYS 95 N -3.02 0.00 -2.40 3.15 0.00 -0.83 -4.93 118.16 110.13 2jyn n LYS 95 Ca 0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.97 2jyn n LYS 95 Cb 0.48 -0.30 -0.03 0.00 -0.00 0.00 0.00 35.03 35.18 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 -1.65 3.72 0.08 0.58 -1.09 0.11 -4.80 121.20 118.16 2jyn s ILE 96 Ca 0.00 -0.33 -0.15 0.00 -2.23 0.00 0.00 60.65 57.94 2jyn s ILE 96 Cb 0.00 -4.70 -0.18 0.00 -1.58 0.00 0.00 42.46 35.99 2jyn s ILE 96 CO 0.00 -1.62 1.25 -0.33 -1.23 0.00 0.00 174.94 173.01 2jyn h GLU 97 N 10.65 0.70 -0.98 2.79 5.08 -1.83 -3.31 114.58 127.68 2jyn h GLU 97 Ca 0.03 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2jyn h GLU 97 Cb 1.03 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2jyn h GLU 97 CO 1.33 1.23 0.00 -0.40 -1.00 0.00 0.00 179.01 180.17 2jyn n ASP 98 N -4.00 0.99 0.08 1.42 5.75 -1.26 -4.39 116.55 115.15 2jyn n ASP 98 Ca -0.09 -1.97 0.07 0.00 -0.01 0.00 0.00 54.79 52.80 2jyn n ASP 98 Cb 0.75 -0.49 0.52 0.00 -1.03 0.00 0.00 41.12 40.86 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 0.02 0.30 -0.31 2.11 -0.00 -1.95 -2.17 116.97 114.96 2jyn h TYR 99 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 2jyn h TYR 99 Cb 0.49 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 2jyn h TYR 99 CO 0.00 0.18 0.00 -1.71 -0.00 0.00 0.00 178.16 176.63 2jyn n ASN 100 N -4.49 3.78 0.17 0.10 5.15 -1.26 -0.25 115.26 118.45 2jyn n ASN 100 Ca 0.02 -2.74 0.04 0.00 -0.60 0.00 0.00 54.58 51.29 2jyn n ASN 100 Cb 0.12 -0.48 0.26 0.00 -0.53 0.00 0.00 39.78 39.15 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 2.05 0.00 -0.01 1.20 3.57 -1.72 -3.46 116.94 118.57 2jyn h PHE 101 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jyn h PHE 101 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2jyn h PHE 101 CO 0.47 0.45 0.00 0.41 -2.23 0.00 0.00 178.31 177.41 2jyn n GLY 102 N 0.42 -0.33 2.96 2.40 0.00 -1.26 -4.75 105.19 104.63 2jyn n GLY 102 Ca -0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.39 0.06 -0.18 2.61 2.01 -0.53 -4.60 115.64 114.61 2jyn s THR 103 Ca 0.00 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 2jyn s THR 103 Cb 0.00 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.31 2jyn s THR 103 CO 0.00 -0.26 1.26 -0.22 -0.69 0.00 0.00 174.62 174.72 2jyn s LEU 104 N -0.77 4.15 -0.14 4.42 0.20 -1.25 -2.30 118.68 122.99 2jyn s LEU 104 Ca -0.09 1.64 0.01 0.00 0.69 0.00 0.00 54.13 56.39 2jyn s LEU 104 Cb -0.05 -3.54 -0.00 0.00 -0.43 0.00 0.00 46.19 42.17 2jyn s LEU 104 CO -0.00 -0.79 -0.18 -0.22 -0.29 0.00 0.00 176.35 174.87 2jyn s LEU 105 N 3.57 2.36 -0.03 -0.68 2.96 -0.62 -4.52 118.68 121.72 2jyn s LEU 105 Ca 0.55 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.66 2jyn s LEU 105 Cb -0.21 -1.52 -0.06 0.00 0.50 0.00 0.00 46.19 44.91 2jyn s LEU 105 CO 0.15 0.10 1.54 0.00 -1.32 0.00 0.00 176.35 176.82 2jyn s ARG 106 N 0.69 4.22 0.00 1.98 1.70 -1.26 -1.22 118.95 125.05 2jyn s ARG 106 Ca -0.08 2.09 0.20 0.00 -0.47 0.00 0.00 55.73 57.47 2jyn s ARG 106 Cb -0.16 -3.78 0.88 0.00 -0.57 0.00 0.00 34.95 31.33 2jyn s ARG 106 CO 0.02 -0.73 1.65 0.25 -1.08 0.00 0.00 175.30 175.41 2jyn n THR 107 N 5.10 0.58 -4.06 4.99 -2.24 0.04 -4.62 114.28 114.08 2jyn n THR 107 Ca 0.15 0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.92 2jyn n THR 107 Cb 0.43 -0.80 -0.15 0.00 -2.10 0.00 0.00 70.33 67.72 2jyn n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jyn s ASP 108 N -2.97 0.48 0.11 3.42 -1.08 -1.23 -1.72 116.67 113.68 2jyn s ASP 108 Ca 0.11 -0.06 0.18 0.00 -0.52 0.00 0.00 52.55 52.25 2jyn s ASP 108 Cb 0.13 -0.12 -0.09 0.00 -1.46 0.00 0.00 42.92 41.39 2jyn s ASP 108 CO 0.37 0.01 0.92 0.00 0.52 0.00 0.00 175.17 176.98 2jyn h ALA 109 N 6.39 0.63 -0.01 3.66 0.00 -1.21 -3.34 119.26 125.39 2jyn h ALA 109 Ca -0.31 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2jyn h ALA 109 Cb 1.18 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jyn h ALA 109 CO 0.50 0.73 -0.38 0.43 0.00 0.00 0.00 179.25 180.52 2jyn n SER 110 N -2.88 1.51 -1.94 0.00 7.64 -1.26 -4.90 113.62 111.79 2jyn n SER 110 Ca -0.07 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.61 2jyn n SER 110 Cb 0.78 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jyn n ALA 111 N -0.36 0.00 -4.25 -0.43 0.00 -1.25 -5.15 120.51 109.07 2jyn n ALA 111 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 2jyn n ALA 111 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 2jyn n ALA 111 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jyn n GLU 112 N -0.52 1.04 -3.02 0.00 0.00 -1.26 -5.09 120.64 111.80 2jyn n GLU 112 Ca 0.00 -2.56 -0.44 0.00 0.00 0.00 0.00 57.16 54.16 2jyn n GLU 112 Cb 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 31.44 31.93 2jyn n GLU 112 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2jyn s TYR 113 N -2.16 2.90 0.29 -1.84 2.02 -1.26 -4.80 117.35 112.50 2jyn s TYR 113 Ca 0.08 -0.53 -0.08 0.00 -0.37 0.00 0.00 57.07 56.18 2jyn s TYR 113 Cb -0.01 -3.91 -0.00 0.00 -0.40 0.00 0.00 41.96 37.64 2jyn s TYR 113 CO 0.05 -1.29 0.46 0.20 -1.57 0.00 0.00 175.55 173.40 2jyn s GLY 114 N 3.14 0.99 0.17 0.71 0.00 -1.26 -5.06 107.32 106.00 2jyn s GLY 114 Ca 0.19 -1.20 -0.18 0.00 0.00 0.00 0.00 44.72 43.53 2jyn s GLY 114 CO 0.12 -0.83 1.65 -1.61 0.00 0.00 0.00 173.10 172.43 2jyn h GLN 115 N 2.22 -0.04 0.04 2.90 4.15 -1.94 -1.79 115.11 120.64 2jyn h GLN 115 Ca -0.28 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 58.91 2jyn h GLN 115 Cb 1.25 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 2jyn h GLN 115 CO 0.39 -0.03 -1.08 0.74 -1.93 0.00 0.00 178.83 176.91 2jyn h PHE 116 N -0.05 0.16 -0.02 3.99 0.04 -1.98 -3.25 116.94 115.84 2jyn h PHE 116 Ca 0.20 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2jyn h PHE 116 Cb 0.35 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2jyn h PHE 116 CO -0.39 1.09 0.00 0.25 -0.60 0.00 0.00 178.31 178.67 2jyn n THR 117 N -3.41 0.02 -4.12 -1.55 -2.24 -0.91 -4.81 114.28 97.27 2jyn n THR 117 Ca -0.03 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 2jyn n THR 117 Cb 0.97 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.98 0.55 -0.06 4.28 -4.23 -0.72 -0.78 115.64 112.69 2jyn s THR 118 Ca 0.40 -1.59 -0.08 0.00 -1.18 0.00 0.00 61.69 59.24 2jyn s THR 118 Cb 0.19 -1.24 0.02 0.00 1.34 0.00 0.00 72.50 72.81 2jyn s THR 118 CO 0.32 -0.71 0.22 0.00 -0.54 0.00 0.00 174.62 173.90 2jyn s PHE 120 N -0.23 2.83 0.44 0.00 0.08 -1.26 -1.60 117.98 118.24 2jyn s PHE 120 Ca -0.03 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.46 2jyn s PHE 120 Cb -0.03 -4.20 -0.00 0.00 -0.57 0.00 0.00 43.02 38.22 2jyn s PHE 120 CO 0.01 -1.25 0.01 1.33 -0.10 0.00 0.00 175.22 175.22 2jyn n VAL 121 N 6.56 0.00 -1.84 -0.44 0.24 -0.97 -4.99 118.33 116.89 2jyn n VAL 121 Ca 0.08 -2.10 -0.31 0.00 -2.04 0.00 0.00 64.34 59.96 2jyn n VAL 121 Cb 0.49 0.45 0.02 0.00 -1.47 0.00 0.00 33.84 33.32 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 -2.63 4.52 0.36 3.34 -7.23 -1.26 -1.45 120.40 116.05 2jyn s VAL 122 Ca 0.01 0.85 0.03 0.00 -1.81 0.00 0.00 61.98 61.07 2jyn s VAL 122 Cb 0.00 -3.74 0.25 0.00 0.56 0.00 0.00 36.38 33.45 2jyn s VAL 122 CO 0.01 -1.04 2.00 0.03 -0.31 0.00 0.00 175.10 175.79 2jyn h ARG 123 N -0.31 0.72 -0.66 4.82 3.08 -0.86 -2.64 114.38 118.53 2jyn h ARG 123 Ca -0.44 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.56 2jyn h ARG 123 Cb 1.19 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2jyn h ARG 123 CO 0.61 0.51 0.43 1.25 -1.07 0.00 0.00 179.97 181.70 2jyn h LEU 124 N 0.74 0.72 -0.51 3.04 7.12 -1.69 -0.25 115.31 124.48 2jyn h LEU 124 Ca 0.19 -0.01 -0.07 0.00 0.13 0.00 0.00 57.88 58.13 2jyn h LEU 124 Cb -0.02 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 39.92 2jyn h LEU 124 CO -0.04 0.52 0.06 1.56 -0.13 0.00 0.00 178.44 180.41 2jyn h GLN 125 N 0.86 0.86 0.14 1.25 4.20 -1.78 -2.07 115.11 118.57 2jyn h GLN 125 Ca 0.25 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2jyn h GLN 125 Cb -0.06 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2jyn h GLN 125 CO -0.07 0.86 -0.16 0.35 -0.67 0.00 0.00 178.83 179.14 2jyn h PHE 126 N 0.74 -0.41 -0.52 2.96 3.57 -1.10 -2.70 116.94 119.47 2jyn h PHE 126 Ca 0.15 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2jyn h PHE 126 Cb 0.43 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 2jyn h PHE 126 CO 0.03 -0.24 0.23 1.88 -2.23 0.00 0.00 178.31 177.98 2jyn h TYR 127 N -0.34 0.41 0.09 0.41 0.05 -1.01 0.17 116.97 116.75 2jyn h TYR 127 Ca 0.01 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.83 2jyn h TYR 127 Cb 0.33 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 2jyn h TYR 127 CO -0.14 0.17 -0.31 0.00 -1.05 0.00 0.00 178.16 176.83 2jyn h ALA 128 N 1.31 -0.50 0.00 3.88 0.00 -1.23 -0.99 119.26 121.73 2jyn h ALA 128 Ca 0.24 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2jyn h ALA 128 Cb 0.21 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2jyn h ALA 128 CO -0.21 -0.84 -0.69 0.74 0.00 0.00 0.00 179.25 178.25 2jyn h PHE 129 N -0.51 0.00 0.06 0.00 0.04 -1.33 -2.79 116.94 112.41 2jyn h PHE 129 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2jyn h PHE 129 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 2jyn h PHE 129 CO -0.29 0.69 -0.03 1.49 -0.60 0.00 0.00 178.31 179.57 2jyn h GLU 130 N 0.00 -0.08 -0.95 1.51 4.57 -0.74 -1.53 114.58 117.37 2jyn h GLU 130 Ca -0.01 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2jyn h GLU 130 Cb 1.33 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.88 2jyn h GLU 130 CO 0.09 0.50 0.61 0.82 -1.18 0.00 0.00 179.01 179.85 2jyn h ILE 131 N -0.78 1.14 0.62 2.32 2.04 -1.30 -0.37 117.51 121.17 2jyn h ILE 131 Ca -0.01 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2jyn h ILE 131 Cb 0.62 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2jyn h ILE 131 CO 0.01 0.21 -0.34 0.00 0.00 0.00 0.00 178.15 178.03 2jyn h ALA 132 N 1.40 -0.90 0.00 1.87 0.00 -1.51 -1.73 119.26 118.38 2jyn h ALA 132 Ca 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2jyn h ALA 132 Cb 0.03 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jyn h ALA 132 CO -0.13 -1.02 -0.19 0.07 0.00 0.00 0.00 179.25 177.99 2jyn h ARG 133 N -0.89 0.00 -0.12 0.00 0.11 -1.12 -1.02 114.38 111.34 2jyn h ARG 133 Ca -0.08 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.94 2jyn h ARG 133 Cb 0.71 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.79 2jyn h ARG 133 CO 0.10 0.19 -0.17 -0.97 0.10 0.00 0.00 179.97 179.21 2jyn h ASN 134 N 0.00 0.36 0.93 0.08 -1.24 -0.91 0.24 115.58 115.05 2jyn h ASN 134 Ca -0.00 -0.53 -0.20 0.00 0.71 0.00 0.00 56.30 56.28 2jyn h ASN 134 Cb 0.59 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 2jyn h ASN 134 CO 0.02 0.81 -0.94 0.11 -1.29 0.00 0.00 177.43 176.14 2jyn h LYS 135 N -0.09 0.01 0.00 6.67 1.57 -1.13 -3.01 116.57 120.58 2jyn h LYS 135 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jyn h LYS 135 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2jyn h LYS 135 CO 0.04 0.94 -0.08 0.45 -0.57 0.00 0.00 179.45 180.23 2jyn h HIS 136 N 0.00 0.00 0.00 -1.35 3.86 -1.26 -3.48 115.15 112.92 2jyn h HIS 136 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2jyn h HIS 136 Cb 1.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.14 2jyn h HIS 136 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2jyn n GLY 137 N 1.21 0.74 0.32 2.45 0.00 -0.30 -4.96 105.19 104.66 2jyn n GLY 137 Ca 0.04 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.95 -0.21 0.99 4.32 0.70 -3.48 117.00 120.27 2jyn n LEU 138 Ca 0.00 -0.42 0.02 0.00 -0.02 0.00 0.00 56.01 55.59 2jyn n LEU 138 Cb 0.36 -0.08 0.03 0.00 -1.62 0.00 0.00 43.42 42.11 2jyn n LEU 138 CO 0.00 0.21 0.36 -0.46 -1.22 0.00 0.00 177.39 176.28 2jyn n ASN 139 N -0.10 1.55 0.20 -1.43 6.94 -1.23 -4.67 115.26 116.52 2jyn n ASN 139 Ca 0.12 -1.32 0.14 0.00 -0.02 0.00 0.00 54.58 53.51 2jyn n ASN 139 Cb 0.19 -0.01 0.44 0.00 -2.36 0.00 0.00 39.78 38.04 2jyn n ASN 139 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2jyn h ASP 140 N 0.97 0.00 0.82 0.53 5.19 -1.89 -2.56 116.42 119.47 2jyn h ASP 140 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 2jyn h ASP 140 Cb 0.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 2jyn h ASP 140 CO 0.00 0.00 -0.30 4.11 -3.12 0.00 0.00 179.24 179.93 2jyn h TRP 141 N 0.00 0.00 0.02 4.55 5.08 -1.84 -3.10 115.95 120.66 2jyn h TRP 141 Ca 0.00 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.76 2jyn h TRP 141 Cb 0.67 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.81 2jyn h TRP 141 CO 0.00 0.30 -0.96 0.82 -1.28 0.00 0.00 178.44 177.32 2jyn h ILE 142 N 0.00 1.62 0.00 0.12 2.04 -1.80 -3.25 117.51 116.24 2jyn h ILE 142 Ca -0.00 -3.08 -0.01 0.00 1.00 0.00 0.00 64.86 62.77 2jyn h ILE 142 Cb 0.79 2.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 2jyn h ILE 142 CO 0.04 0.89 -0.04 -0.37 0.00 0.00 0.00 178.15 178.67 2jyn h VAL 143 N 0.03 0.11 -0.90 1.67 -1.51 -1.52 -2.78 116.25 111.34 2jyn h VAL 143 Ca -0.03 -0.55 -0.62 0.00 -1.23 0.00 0.00 66.70 64.28 2jyn h VAL 143 Cb 1.66 1.49 -0.36 0.00 -2.13 0.00 0.00 31.29 31.95 2jyn h VAL 143 CO 0.13 0.04 0.01 0.61 -1.23 0.00 0.00 177.57 177.13 2jyn n GLY 144 N -0.10 6.14 1.96 5.19 0.00 -1.23 -4.62 105.19 112.53 2jyn n GLY 144 Ca 0.00 -2.50 -0.14 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.80 -0.31 0.00 1.61 1.13 -1.05 -5.06 117.38 112.90 2jyn n GLN 145 Ca 0.53 -1.18 0.10 0.00 -1.94 0.00 0.00 57.00 54.52 2jyn n GLN 145 Cb 0.81 -0.55 0.60 0.00 0.11 0.00 0.00 30.24 31.20 2jyn n GLN 145 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25