#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 0.62 -0.79 7.83 0.01 -1.26 -5.06 113.70 115.05 2jyn s SER 2 Ca 0.00 -0.49 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 2jyn s SER 2 Cb 0.00 0.99 0.16 0.00 0.21 0.00 0.00 66.02 67.39 2jyn s SER 2 CO 0.00 -0.36 0.83 0.42 0.41 0.00 0.00 173.24 174.55 2jyn s THR 3 N 2.48 5.18 -0.11 1.44 -4.23 -1.26 -4.91 115.64 114.22 2jyn s THR 3 Ca 0.10 -1.85 -0.10 0.00 -1.18 0.00 0.00 61.69 58.66 2jyn s THR 3 Cb -0.13 -4.55 -0.09 0.00 1.34 0.00 0.00 72.50 69.08 2jyn s THR 3 CO -0.30 -1.17 0.30 -0.26 -0.54 0.00 0.00 174.62 172.65 2jyn h PHE 4 N 8.44 -0.03 -2.47 3.99 0.04 -1.99 -3.50 116.94 121.42 2jyn h PHE 4 Ca 0.01 -0.00 0.27 0.00 2.80 0.00 0.00 57.97 61.05 2jyn h PHE 4 Cb 1.05 0.01 -0.11 0.00 2.20 0.00 0.00 35.95 39.10 2jyn h PHE 4 CO 1.01 0.29 -0.67 -1.71 -0.60 0.00 0.00 178.31 176.62 2jyn n ASN 5 N -4.76 -6.34 -4.70 2.17 4.05 -1.26 -4.76 115.26 99.67 2jyn n ASN 5 Ca -0.04 0.77 -0.42 0.00 0.45 0.00 0.00 54.58 55.34 2jyn n ASN 5 Cb 0.16 -3.43 -0.03 0.00 1.23 0.00 0.00 39.78 37.72 2jyn n ASN 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jyn s ALA 6 N -2.96 3.66 -0.34 5.20 0.00 -1.26 -4.95 121.76 121.10 2jyn s ALA 6 Ca 0.00 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.81 2jyn s ALA 6 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2jyn s ALA 6 CO 0.00 -0.90 1.75 -1.83 0.00 0.00 0.00 175.76 174.79 2jyn s GLU 7 N 2.00 3.36 -0.85 0.00 1.03 -1.26 -4.94 118.70 118.03 2jyn s GLU 7 Ca 0.69 1.37 -0.21 0.00 0.03 0.00 0.00 54.97 56.85 2jyn s GLU 7 Cb -0.38 -4.18 0.09 0.00 -0.80 0.00 0.00 34.13 28.87 2jyn s GLU 7 CO 0.30 -1.82 1.15 0.99 -1.33 0.00 0.00 175.26 174.55 2jyn s THR 8 N 6.72 4.38 0.12 1.83 2.01 -1.26 -4.86 115.64 124.58 2jyn s THR 8 Ca 0.78 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2jyn s THR 8 Cb -0.21 -4.82 0.00 0.00 0.01 0.00 0.00 72.50 67.48 2jyn s THR 8 CO 0.33 -1.60 0.00 0.00 -0.69 0.00 0.00 174.62 172.66 2jyn n ALA 9 N 7.54 -1.36 -2.13 7.40 0.00 -1.26 -4.14 120.51 126.56 2jyn n ALA 9 Ca 0.16 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 2jyn n ALA 9 Cb 0.48 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 2jyn n ALA 9 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jyn n ASP 10 N -2.57 6.63 -4.91 0.00 5.75 -1.26 -4.91 116.55 115.28 2jyn n ASP 10 Ca 0.00 -3.11 -0.28 0.00 -0.01 0.00 0.00 54.79 51.39 2jyn n ASP 10 Cb 0.24 -1.42 -0.03 0.00 -1.03 0.00 0.00 41.12 38.87 2jyn n ASP 10 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2jyn s ASN 11 N 0.66 6.43 0.64 -1.12 3.84 -1.26 -4.95 114.94 119.18 2jyn s ASN 11 Ca 0.48 0.55 0.30 0.00 0.21 0.00 0.00 52.86 54.40 2jyn s ASN 11 Cb 0.14 -2.07 1.65 0.00 -0.55 0.00 0.00 41.25 40.42 2jyn s ASN 11 CO -0.05 -0.09 1.96 -0.07 -2.79 0.00 0.00 177.10 176.07 2jyn h LEU 12 N 2.00 0.00 0.00 3.21 3.38 -1.94 -1.99 115.31 119.96 2jyn h LEU 12 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2jyn h LEU 12 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2jyn h LEU 12 CO 0.68 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.59 2jyn n GLU 13 N -3.18 0.00 0.20 1.13 -0.58 -1.26 -1.96 120.64 114.99 2jyn n GLU 13 Ca 0.01 0.45 0.03 0.00 -0.42 0.00 0.00 57.16 57.23 2jyn n GLU 13 Cb 0.42 -1.26 0.41 0.00 -0.57 0.00 0.00 31.44 30.43 2jyn n GLU 13 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2jyn h ASP 14 N 0.00 0.01 0.48 1.62 2.03 -1.78 -1.04 116.42 117.73 2jyn h ASP 14 Ca 0.00 -0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2jyn h ASP 14 Cb 0.00 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2jyn h ASP 14 CO 0.00 0.31 -0.26 0.40 -1.03 0.00 0.00 179.24 178.66 2jyn h ILE 15 N 0.01 0.00 0.00 4.15 1.08 -1.45 -1.63 117.51 119.67 2jyn h ILE 15 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2jyn h ILE 15 Cb 0.54 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2jyn h ILE 15 CO 0.04 0.00 0.00 -0.33 -0.69 0.00 0.00 178.15 177.17 2jyn h GLU 16 N -0.69 0.00 0.40 2.37 5.08 -1.32 -1.69 114.58 118.74 2jyn h GLU 16 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2jyn h GLU 16 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jyn h GLU 16 CO 0.09 0.00 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.68 2jyn h LYS 17 N 0.00 -0.52 -0.10 2.33 3.64 -1.23 -1.36 116.57 119.34 2jyn h LYS 17 Ca 0.00 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2jyn h LYS 17 Cb 0.75 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2jyn h LYS 17 CO 0.00 -0.35 -0.15 1.96 -2.27 0.00 0.00 179.45 178.64 2jyn h GLN 18 N -0.82 0.15 0.40 1.90 4.20 -1.29 -1.83 115.11 117.83 2jyn h GLN 18 Ca -0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2jyn h GLN 18 Cb 0.42 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2jyn h GLN 18 CO 0.09 0.31 -0.19 0.35 -0.67 0.00 0.00 178.83 178.72 2jyn h PHE 19 N 0.14 -0.50 -0.63 2.96 3.57 -1.42 -2.43 116.94 118.64 2jyn h PHE 19 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2jyn h PHE 19 Cb 0.36 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2jyn h PHE 19 CO 0.00 -0.24 0.40 0.00 -2.23 0.00 0.00 178.31 176.24 2jyn h ALA 20 N -0.10 0.80 -0.02 2.41 0.00 -0.44 0.37 119.26 122.27 2jyn h ALA 20 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jyn h ALA 20 Cb 0.48 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jyn h ALA 20 CO 0.09 0.25 -0.02 -0.24 0.00 0.00 0.00 179.25 179.33 2jyn h VAL 21 N 0.85 1.37 0.00 0.00 3.04 -1.51 -2.66 116.25 117.34 2jyn h VAL 21 Ca 0.23 -1.13 -0.03 0.00 -1.01 0.00 0.00 66.70 64.76 2jyn h VAL 21 Cb -0.07 2.08 -0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2jyn h VAL 21 CO -0.05 0.30 -0.16 1.62 -1.01 0.00 0.00 177.57 178.27 2jyn h VAL 22 N -0.40 0.67 0.07 1.51 3.04 -1.22 -1.48 116.25 118.45 2jyn h VAL 22 Ca 0.00 -0.69 -0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2jyn h VAL 22 Cb 0.50 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2jyn h VAL 22 CO 0.01 0.16 -0.04 0.00 -1.01 0.00 0.00 177.57 176.69 2jyn h ALA 23 N 1.84 -0.10 -0.10 3.17 0.00 -0.89 -2.15 119.26 121.03 2jyn h ALA 23 Ca -0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2jyn h ALA 23 Cb 0.42 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jyn h ALA 23 CO 0.02 -0.32 -0.69 -0.39 0.00 0.00 0.00 179.25 177.87 2jyn h VAL 24 N -0.57 1.36 -0.18 0.00 -1.51 -1.20 -1.03 116.25 113.13 2jyn h VAL 24 Ca -0.01 -2.05 -0.04 0.00 -1.23 0.00 0.00 66.70 63.37 2jyn h VAL 24 Cb 0.48 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 2jyn h VAL 24 CO 0.02 0.62 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.59 2jyn h GLU 25 N 0.32 0.35 -0.10 5.19 4.39 -1.38 -2.71 114.58 120.64 2jyn h GLU 25 Ca -0.02 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.38 2jyn h GLU 25 Cb 1.25 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 2jyn h GLU 25 CO 0.12 0.63 -0.63 0.37 -1.16 0.00 0.00 179.01 178.34 2jyn h GLN 26 N 0.06 0.38 -0.45 2.33 5.75 -1.39 -1.62 115.11 120.17 2jyn h GLN 26 Ca 0.04 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2jyn h GLN 26 Cb 0.50 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 2jyn h GLN 26 CO 0.02 0.88 0.24 0.00 -2.65 0.00 0.00 178.83 177.32 2jyn h ALA 27 N 1.06 0.58 0.00 3.38 0.00 -1.21 -1.80 119.26 121.27 2jyn h ALA 27 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2jyn h ALA 27 Cb 1.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jyn h ALA 27 CO 0.11 0.11 -0.18 1.05 0.00 0.00 0.00 179.25 180.34 2jyn h GLU 28 N 0.59 0.00 -0.05 0.00 4.11 -1.42 -2.61 114.58 115.20 2jyn h GLU 28 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.58 2jyn h GLU 28 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jyn h GLU 28 CO -0.02 0.18 -0.02 1.15 0.07 0.00 0.00 179.01 180.36 2jyn h THR 29 N 0.00 1.32 -0.68 -1.06 2.02 -0.82 0.45 112.91 114.14 2jyn h THR 29 Ca -0.00 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 2jyn h THR 29 Cb 0.95 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 2jyn h THR 29 CO 0.02 0.27 0.37 1.88 0.37 0.00 0.00 175.52 178.43 2jyn h TYR 30 N -0.28 0.92 -0.44 3.16 0.05 -1.38 -0.50 116.97 118.49 2jyn h TYR 30 Ca 0.01 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jyn h TYR 30 Cb 0.45 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2jyn h TYR 30 CO 0.07 0.65 0.29 2.35 -1.05 0.00 0.00 178.16 180.46 2jyn h TRP 31 N 0.95 0.55 -0.63 4.88 2.91 -1.38 -2.80 115.95 120.43 2jyn h TRP 31 Ca 0.24 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.20 2jyn h TRP 31 Cb 0.03 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 2jyn h TRP 31 CO 0.01 0.35 0.10 0.87 -1.03 0.00 0.00 178.44 178.74 2jyn h LYS 32 N 0.60 1.04 -0.80 2.65 1.79 -0.26 -1.18 116.57 120.40 2jyn h LYS 32 Ca 0.16 -0.27 0.07 0.00 -2.18 0.00 0.00 60.65 58.44 2jyn h LYS 32 Cb -0.07 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.39 2jyn h LYS 32 CO -0.03 0.95 0.47 -0.07 -1.08 0.00 0.00 179.45 179.69 2jyn h LEU 33 N 0.97 0.71 0.18 2.94 3.38 -0.91 -1.16 115.31 121.42 2jyn h LEU 33 Ca 0.19 0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 2jyn h LEU 33 Cb 0.42 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 41.09 2jyn h LEU 33 CO 0.01 0.44 -1.23 -0.07 0.09 0.00 0.00 178.44 177.67 2jyn h LEU 34 N 0.84 0.78 -1.38 1.67 4.07 -1.31 -2.09 115.31 117.88 2jyn h LEU 34 Ca 0.37 -0.89 0.00 0.00 0.08 0.00 0.00 57.88 57.44 2jyn h LEU 34 Cb 0.25 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2jyn h LEU 34 CO -0.20 1.60 0.00 0.71 -1.08 0.00 0.00 178.44 179.46 2jyn h THR 35 N 0.08 0.00 0.00 0.22 1.35 -0.97 -3.06 112.91 110.53 2jyn h THR 35 Ca -0.20 -0.25 -0.28 0.00 -0.55 0.00 0.00 66.41 65.12 2jyn h THR 35 Cb 1.95 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 69.39 2jyn h THR 35 CO 0.23 0.00 -1.60 -1.20 -0.25 0.00 0.00 175.52 172.71 2jyn n SER 36 N -2.63 1.89 -4.04 5.36 7.64 -0.46 -4.89 113.62 116.49 2jyn n SER 36 Ca 0.00 0.41 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 2jyn n SER 36 Cb 0.20 -0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 62.38 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 -2.41 0.30 0.34 0.44 -7.23 -0.79 -5.05 120.40 106.00 2jyn s VAL 37 Ca -0.31 -1.22 0.18 0.00 -1.81 0.00 0.00 61.98 58.82 2jyn s VAL 37 Cb 0.08 -0.73 0.18 0.00 0.56 0.00 0.00 36.38 36.48 2jyn s VAL 37 CO 0.54 -0.60 1.49 -0.65 -0.31 0.00 0.00 175.10 175.57 2jyn h PRO 38 N 4.17 0.00 0.00 4.82 0.11 -1.82 -3.30 132.00 135.98 2jyn h PRO 38 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2jyn h PRO 38 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jyn h PRO 38 CO 0.48 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.68 2jyn n GLY 39 N -1.27 0.71 0.00 -0.55 0.00 -1.26 -4.93 105.19 97.88 2jyn n GLY 39 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2jyn n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jyn n SER 40 N 0.08 0.00 -0.02 1.61 2.88 -1.26 -2.78 113.62 114.13 2jyn n SER 40 Ca 0.00 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 2jyn n SER 40 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2jyn n SER 40 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2jyn n LYS 41 N -0.90 1.46 -3.40 -1.46 0.00 -1.26 -5.07 118.16 107.53 2jyn n LYS 41 Ca 0.19 -0.04 -0.21 0.00 -0.00 0.00 0.00 58.31 58.24 2jyn n LYS 41 Cb 0.09 -1.23 0.01 0.00 -0.00 0.00 0.00 35.03 33.90 2jyn n LYS 41 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2jyn s LEU 42 N -4.17 3.18 0.11 -5.58 0.05 -1.12 -5.15 118.68 106.00 2jyn s LEU 42 Ca -0.04 -0.84 -0.15 0.00 0.05 0.00 0.00 54.13 53.14 2jyn s LEU 42 Cb 0.04 -1.82 0.03 0.00 -2.05 0.00 0.00 46.19 42.39 2jyn s LEU 42 CO 0.38 -0.98 0.37 0.00 -0.55 0.00 0.00 176.35 175.57 2jyn s ARG 43 N -4.36 1.01 -0.10 1.48 3.03 -1.26 -4.98 118.95 113.77 2jyn s ARG 43 Ca 0.50 -0.69 -0.24 0.00 2.03 0.00 0.00 55.73 57.33 2jyn s ARG 43 Cb -0.05 0.44 -0.21 0.00 -1.03 0.00 0.00 34.95 34.11 2jyn s ARG 43 CO 0.30 -0.38 0.78 -0.07 -1.13 0.00 0.00 175.30 174.80 2jyn h LEU 44 N 2.52 -0.03 -8.51 -1.89 4.07 -2.00 -3.48 115.31 106.00 2jyn h LEU 44 Ca -0.34 -0.72 -0.21 0.00 0.08 0.00 0.00 57.88 56.69 2jyn h LEU 44 Cb 1.24 0.01 -0.15 0.00 1.08 0.00 0.00 40.66 42.84 2jyn h LEU 44 CO 0.48 0.78 -0.59 0.42 -1.08 0.00 0.00 178.44 178.45 2jyn s THR 45 N -2.64 0.03 0.12 0.22 -4.23 -1.26 -5.02 115.64 102.85 2jyn s THR 45 Ca -0.16 -1.92 0.20 0.00 -1.18 0.00 0.00 61.69 58.64 2jyn s THR 45 Cb -0.01 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.65 2jyn s THR 45 CO 0.58 -0.13 1.74 0.50 -0.54 0.00 0.00 174.62 176.77 2jyn h LYS 46 N 2.66 0.00 0.00 3.99 3.64 -2.02 -3.02 116.57 121.82 2jyn h LYS 46 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2jyn h LYS 46 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2jyn h LYS 46 CO 0.53 0.32 0.00 1.19 -2.27 0.00 0.00 179.45 179.23 2jyn n PHE 47 N -3.44 0.00 -0.31 1.91 3.72 -1.26 -4.11 117.46 113.96 2jyn n PHE 47 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2jyn n PHE 47 Cb 0.50 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.00 1.02 -0.28 4.37 2.03 -1.93 -2.35 116.42 119.28 2jyn h ASP 48 Ca 0.00 -0.07 -0.08 0.00 -0.73 0.00 0.00 57.03 56.15 2jyn h ASP 48 Cb 0.00 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.24 2jyn h ASP 48 CO 0.00 0.79 -0.12 -0.78 -1.03 0.00 0.00 179.24 178.10 2jyn h ASP 49 N 1.16 0.59 0.31 4.15 3.58 -1.86 -2.53 116.42 121.82 2jyn h ASP 49 Ca 0.30 -0.40 -0.13 0.00 0.42 0.00 0.00 57.03 57.22 2jyn h ASP 49 Cb -0.04 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2jyn h ASP 49 CO -0.06 0.86 -0.54 1.05 -2.88 0.00 0.00 179.24 177.68 2jyn h GLU 50 N 0.32 0.25 -0.77 0.28 4.11 -1.83 -1.51 114.58 115.42 2jyn h GLU 50 Ca 0.06 -0.15 -0.05 0.00 0.07 0.00 0.00 59.36 59.30 2jyn h GLU 50 Cb 0.63 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2jyn h GLU 50 CO 0.04 0.72 0.30 0.82 0.07 0.00 0.00 179.01 180.97 2jyn h ILE 51 N 0.19 1.26 0.12 -1.06 2.04 -1.32 0.05 117.51 118.79 2jyn h ILE 51 Ca 0.00 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2jyn h ILE 51 Cb 1.01 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2jyn h ILE 51 CO 0.08 0.33 -0.06 0.22 0.00 0.00 0.00 178.15 178.73 2jyn h TYR 52 N 1.13 -0.15 0.28 1.37 3.20 -1.23 -2.45 116.97 119.11 2jyn h TYR 52 Ca 0.26 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2jyn h TYR 52 Cb 0.22 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2jyn h TYR 52 CO 0.02 0.07 -0.13 0.93 -1.64 0.00 0.00 178.16 177.41 2jyn h GLU 53 N -0.36 -0.36 0.00 1.82 5.08 -1.17 -2.65 114.58 116.94 2jyn h GLU 53 Ca -0.02 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jyn h GLU 53 Cb 0.30 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jyn h GLU 53 CO 0.03 -0.02 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.10 2jyn h ASN 54 N -0.77 0.00 -0.16 1.42 2.35 -1.11 0.47 115.58 117.78 2jyn h ASN 54 Ca -0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 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 0.06 0.01 -0.09 0.15 -1.65 0.00 0.00 177.43 175.91 2jyn h PHE 55 N 0.00 0.39 0.00 1.19 3.57 -1.28 -2.49 116.94 118.32 2jyn h PHE 55 Ca -0.00 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.31 2jyn h PHE 55 Cb 0.05 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2jyn h PHE 55 CO 0.00 0.67 -0.42 0.00 -2.23 0.00 0.00 178.31 176.33 2jyn h MET 56 N 0.00 0.00 0.49 1.11 -0.00 -0.63 -0.09 114.93 115.82 2jyn h MET 56 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.71 2jyn h MET 56 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 2jyn h MET 56 CO 0.03 0.42 -0.24 0.93 -0.00 0.00 0.00 176.91 178.05 2jyn h GLU 57 N 0.00 -0.64 0.00 -0.10 4.39 -1.16 -3.31 114.58 113.77 2jyn h GLU 57 Ca -0.00 0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 2jyn h GLU 57 Cb 1.02 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2jyn h GLU 57 CO 0.05 -0.43 -0.38 0.00 -1.16 0.00 0.00 179.01 177.10 2jyn h ARG 58 N -1.02 0.00 -3.26 2.33 -0.00 -1.53 -3.37 114.38 107.53 2jyn h ARG 58 Ca -0.07 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.78 2jyn h ARG 58 Cb 0.51 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.07 2jyn h ARG 58 CO 0.11 0.38 -0.63 -0.06 0.00 0.00 0.00 179.97 179.77 2jyn s PHE 59 N -3.04 3.17 -1.77 3.04 0.40 -0.05 -4.91 117.98 114.82 2jyn s PHE 59 Ca 0.05 -3.16 0.03 0.00 -0.60 0.00 0.00 56.93 53.25 2jyn s PHE 59 Cb 0.07 -2.69 0.09 0.00 0.51 0.00 0.00 43.02 41.00 2jyn s PHE 59 CO 0.72 -0.69 0.99 -0.35 0.70 0.00 0.00 175.22 176.59 2jyn n PRO 60 N 2.82 1.30 0.05 0.24 -0.04 -1.25 -2.59 135.00 135.53 2jyn n PRO 60 Ca 0.10 -0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.05 2jyn n PRO 60 Cb 0.33 -1.19 -0.14 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.58 0.15 0.00 0.54 4.11 -1.91 -3.37 114.58 114.69 2jyn h GLU 61 Ca 0.00 -0.26 -0.01 0.00 0.07 0.00 0.00 59.36 59.16 2jyn h GLU 61 Cb 0.25 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jyn h GLU 61 CO 0.01 1.00 -0.05 -0.92 0.07 0.00 0.00 179.01 179.13 2jyn h TYR 62 N 0.04 0.00 -0.45 2.06 3.20 -1.82 -3.26 116.97 116.73 2jyn h TYR 62 Ca -0.18 0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.82 2jyn h TYR 62 Cb 1.95 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.20 2jyn h TYR 62 CO 0.04 0.05 0.49 1.57 -1.64 0.00 0.00 178.16 178.66 2jyn h LYS 63 N 0.00 0.00 -6.74 1.82 2.10 -1.73 -3.37 116.57 108.65 2jyn h LYS 63 Ca -0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 2jyn h LYS 63 Cb 0.72 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.11 2jyn h LYS 63 CO 0.01 0.00 0.80 -0.51 -2.00 0.00 0.00 179.45 177.75 2jyn s ASP 64 N -5.19 6.59 0.39 7.07 1.11 -1.23 -4.93 116.67 120.48 2jyn s ASP 64 Ca -0.04 2.72 0.06 0.00 0.18 0.00 0.00 52.55 55.47 2jyn s ASP 64 Cb 0.15 -2.62 0.81 0.00 1.07 0.00 0.00 42.92 42.33 2jyn s ASP 64 CO 0.55 -0.76 2.04 0.58 1.18 0.00 0.00 175.17 178.75 2jyn h VAL 65 N 3.56 1.10 -0.81 -1.27 2.07 -1.94 -1.65 116.25 117.32 2jyn h VAL 65 Ca -0.46 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2jyn h VAL 65 Cb 1.22 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2jyn h VAL 65 CO 0.80 0.12 0.40 -0.33 0.02 0.00 0.00 177.57 178.57 2jyn h GLU 66 N 0.64 1.15 0.00 1.57 4.39 -1.91 -0.90 114.58 119.51 2jyn h GLU 66 Ca 0.19 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2jyn h GLU 66 Cb -0.02 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 2jyn h GLU 66 CO -0.04 0.87 -0.22 0.00 -1.16 0.00 0.00 179.01 178.45 2jyn h ARG 67 N 1.14 0.00 0.01 2.33 2.47 -1.52 -1.79 114.38 117.02 2jyn h ARG 67 Ca 0.28 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.89 2jyn h ARG 67 Cb 0.09 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2jyn h ARG 67 CO -0.04 0.22 -0.42 0.28 0.56 0.00 0.00 179.97 180.58 2jyn h VAL 68 N 0.00 1.51 0.05 2.04 2.07 -0.95 -3.41 116.25 117.56 2jyn h VAL 68 Ca -0.00 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.46 2jyn h VAL 68 Cb 0.92 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 2jyn h VAL 68 CO 0.03 0.58 -0.02 0.07 0.02 0.00 0.00 177.57 178.24 2jyn h LYS 69 N -0.36 -0.06 -5.91 1.57 2.10 -1.14 -3.41 116.57 109.37 2jyn h LYS 69 Ca -0.05 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.08 2jyn h LYS 69 Cb 1.17 0.01 -0.17 0.00 -0.90 0.00 0.00 32.23 32.34 2jyn h LYS 69 CO 0.08 -0.04 -0.78 -1.59 -2.00 0.00 0.00 179.45 175.12 2jyn s LYS 70 N -1.76 1.30 0.34 0.07 0.00 -0.68 -1.16 119.74 117.84 2jyn s LYS 70 Ca -0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 55.97 54.47 2jyn s LYS 70 Cb 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 37.83 36.52 2jyn s LYS 70 CO 0.03 0.26 0.52 1.97 0.00 0.00 0.00 175.35 178.14 2jyn n PHE 71 N 0.18 -1.60 -4.20 1.78 1.16 -0.61 -4.38 117.46 109.79 2jyn n PHE 71 Ca -0.12 -2.10 -0.13 0.00 -1.87 0.00 0.00 57.45 53.22 2jyn n PHE 71 Cb 0.57 0.60 -0.10 0.00 -1.61 0.00 0.00 39.48 38.94 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 -2.65 0.98 0.31 1.97 2.01 -1.26 -4.76 115.64 112.23 2jyn s THR 72 Ca 0.24 -1.87 0.09 0.00 0.31 0.00 0.00 61.69 60.47 2jyn s THR 72 Cb -0.02 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.90 2jyn s THR 72 CO 0.18 -0.70 1.70 1.05 -0.69 0.00 0.00 174.62 176.16 2jyn h GLU 73 N 3.13 0.10 -0.62 4.92 4.11 -2.00 -3.31 114.58 120.91 2jyn h GLU 73 Ca -0.37 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 2jyn h GLU 73 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2jyn h GLU 73 CO 0.60 0.55 0.38 0.93 0.07 0.00 0.00 179.01 181.54 2jyn h GLU 74 N 0.08 0.84 0.00 1.06 5.08 -1.98 -1.23 114.58 118.42 2jyn h GLU 74 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jyn h GLU 74 Cb 0.87 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2jyn h GLU 74 CO 0.07 0.59 0.00 -0.85 -1.00 0.00 0.00 179.01 177.82 2jyn n GLU 75 N -4.61 0.21 -0.07 2.33 0.28 -1.24 -3.35 120.64 114.19 2jyn n GLU 75 Ca 0.04 0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.92 2jyn n GLU 75 Cb 0.05 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.28 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 -1.39 1.67 -0.24 -1.84 4.77 -0.62 -4.39 117.00 114.95 2jyn n LEU 76 Ca 0.10 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.24 2jyn n LEU 76 Cb 0.28 -0.35 0.42 0.00 -2.33 0.00 0.00 43.42 41.44 2jyn n LEU 76 CO 0.24 0.70 0.79 0.29 -1.33 0.00 0.00 177.39 178.07 2jyn n LYS 77 N -3.12 1.31 -2.10 3.23 5.02 -0.56 -3.30 118.16 118.64 2jyn n LYS 77 Ca -0.34 -0.47 -0.30 0.00 -2.02 0.00 0.00 58.31 55.18 2jyn n LYS 77 Cb 1.06 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.77 2jyn n LYS 77 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2jyn s THR 78 N -1.90 4.74 0.15 -0.18 -1.32 -1.24 -4.93 115.64 110.95 2jyn s THR 78 Ca 0.27 0.76 -0.19 0.00 -1.21 0.00 0.00 61.69 61.32 2jyn s THR 78 Cb 0.13 -3.85 0.03 0.00 -1.51 0.00 0.00 72.50 67.30 2jyn s THR 78 CO 0.21 -1.03 1.69 0.50 -2.21 0.00 0.00 174.62 173.78 2jyn h LYS 79 N -0.05 -0.01 -0.08 7.08 3.64 -1.95 -2.51 116.57 122.69 2jyn h LYS 79 Ca -0.45 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2jyn h LYS 79 Cb 1.19 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2jyn h LYS 79 CO 0.62 -0.01 -0.28 0.93 -2.27 0.00 0.00 179.45 178.45 2jyn h GLU 80 N -0.01 -0.36 -0.23 1.90 5.08 -1.94 -2.58 114.58 116.43 2jyn h GLU 80 Ca 0.14 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2jyn h GLU 80 Cb 0.22 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jyn h GLU 80 CO -0.31 -0.24 -0.00 0.00 -1.00 0.00 0.00 179.01 177.46 2jyn h ALA 81 N 0.47 0.31 -0.41 3.43 0.00 -1.75 -0.82 119.26 120.49 2jyn h ALA 81 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jyn h ALA 81 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2jyn h ALA 81 CO -0.29 0.04 0.26 0.87 0.00 0.00 0.00 179.25 180.13 2jyn h LYS 82 N 0.18 0.55 -0.31 0.00 1.57 -1.42 0.83 116.57 117.96 2jyn h LYS 82 Ca 0.07 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2jyn h LYS 82 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2jyn h LYS 82 CO 0.01 0.37 -0.16 0.93 -0.57 0.00 0.00 179.45 180.04 2jyn h GLU 83 N 0.56 0.65 -0.75 3.15 5.08 -1.08 -2.71 114.58 119.47 2jyn h GLU 83 Ca 0.15 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2jyn h GLU 83 Cb -0.05 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2jyn h GLU 83 CO -0.03 0.88 0.49 0.00 -1.00 0.00 0.00 179.01 179.35 2jyn h ARG 84 N 0.40 0.79 -0.62 2.33 3.08 0.33 -0.51 114.38 120.18 2jyn h ARG 84 Ca 0.07 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2jyn h ARG 84 Cb 0.69 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2jyn h ARG 84 CO 0.05 0.52 0.41 -1.49 -1.07 0.00 0.00 179.97 178.38 2jyn h TRP 85 N 0.81 0.78 0.03 3.04 4.06 -0.82 -1.60 115.95 122.25 2jyn h TRP 85 Ca 0.32 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.29 2jyn h TRP 85 Cb 0.23 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 2jyn h TRP 85 CO -0.00 0.49 -0.01 -0.09 -3.56 0.00 0.00 178.44 175.27 2jyn h ARG 86 N 0.84 -0.04 0.00 0.49 2.43 -0.83 -0.57 114.38 116.70 2jyn h ARG 86 Ca 0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2jyn h ARG 86 Cb -0.09 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2jyn h ARG 86 CO -0.05 0.31 -0.06 0.87 -1.51 0.00 0.00 179.97 179.53 2jyn h LYS 87 N -0.39 0.00 0.03 0.20 6.56 -1.12 0.61 116.57 122.46 2jyn h LYS 87 Ca -0.00 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.36 2jyn h LYS 87 Cb 0.36 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.04 2jyn h LYS 87 CO 0.01 0.06 -0.91 0.35 -2.06 0.00 0.00 179.45 176.90 2jyn h PHE 88 N 0.00 0.86 -0.23 -1.35 3.57 -1.23 -3.31 116.94 115.24 2jyn h PHE 88 Ca -0.00 -0.49 -0.07 0.00 3.53 0.00 0.00 57.97 60.94 2jyn h PHE 88 Cb 0.12 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2jyn h PHE 88 CO 0.00 1.32 -0.17 0.35 -2.23 0.00 0.00 178.31 177.58 2jyn h PHE 89 N 0.15 0.43 0.00 0.41 3.57 -0.10 -2.99 116.94 118.40 2jyn h PHE 89 Ca -0.12 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.31 2jyn h PHE 89 Cb 1.60 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.23 2jyn h PHE 89 CO 0.13 0.55 0.00 1.79 -2.23 0.00 0.00 178.31 178.55 2jyn h THR 90 N 0.36 0.00 -0.13 4.41 1.35 -1.01 0.44 112.91 118.33 2jyn h THR 90 Ca 0.06 -0.17 -0.14 0.00 -0.55 0.00 0.00 66.41 65.61 2jyn h THR 90 Cb 0.52 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2jyn h THR 90 CO 0.03 0.00 -0.46 0.40 -0.25 0.00 0.00 175.52 175.24 2jyn h ILE 91 N 0.00 1.35 -0.53 6.82 2.04 -1.67 -3.38 117.51 122.15 2jyn h ILE 91 Ca 0.00 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.11 2jyn h ILE 91 Cb 0.24 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2jyn h ILE 91 CO 0.00 0.53 0.00 0.49 0.00 0.00 0.00 178.15 179.17 2jyn n PHE 92 N -4.24 0.70 0.33 1.37 3.72 0.83 -4.31 117.46 115.85 2jyn n PHE 92 Ca -0.07 -0.39 0.12 0.00 -0.05 0.00 0.00 57.45 57.06 2jyn n PHE 92 Cb 0.57 -0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.65 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 -0.51 0.10 114.58 121.19 2jyn h GLU 93 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2jyn h GLU 93 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2jyn h GLU 93 CO 0.00 0.00 -0.36 0.87 0.07 0.00 0.00 179.01 179.59 2jyn h LYS 94 N 0.00 0.00 0.00 1.06 6.56 -1.86 -3.44 116.57 118.90 2jyn h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jyn h LYS 94 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2jyn h LYS 94 CO 0.00 0.04 0.00 0.36 -2.06 0.00 0.00 179.45 177.79 2jyn n LYS 95 N -2.98 0.00 -2.42 3.15 0.00 -0.66 -4.98 118.16 110.27 2jyn n LYS 95 Ca 0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.94 2jyn n LYS 95 Cb 0.56 -0.24 -0.03 0.00 -0.00 0.00 0.00 35.03 35.32 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 -1.52 3.65 -0.06 0.58 -1.09 0.26 -4.85 121.20 118.16 2jyn s ILE 96 Ca 0.00 0.20 -0.26 0.00 -2.23 0.00 0.00 60.65 58.36 2jyn s ILE 96 Cb 0.00 -4.68 -0.21 0.00 -1.58 0.00 0.00 42.46 35.99 2jyn s ILE 96 CO 0.00 -1.62 1.03 -0.33 -1.23 0.00 0.00 174.94 172.79 2jyn h GLU 97 N 11.14 -0.04 -1.47 2.79 5.08 -1.89 -3.34 114.58 126.84 2jyn h GLU 97 Ca -0.20 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.88 2jyn h GLU 97 Cb 1.07 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.20 2jyn h GLU 97 CO 1.28 0.58 0.36 -0.40 -1.00 0.00 0.00 179.01 179.83 2jyn n ASP 98 N -4.80 5.86 0.24 1.42 5.75 -1.26 -4.58 116.55 119.18 2jyn n ASP 98 Ca -0.09 -2.95 0.07 0.00 -0.01 0.00 0.00 54.79 51.81 2jyn n ASP 98 Cb 0.32 -1.00 0.59 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.26 0.01 -0.60 2.11 -0.00 -1.96 -1.62 116.97 116.17 2jyn h TYR 99 Ca 0.26 -0.00 -0.41 0.00 -0.00 0.00 0.00 58.73 58.58 2jyn h TYR 99 Cb 1.07 -0.00 -0.27 0.00 -0.00 0.00 0.00 36.73 37.52 2jyn h TYR 99 CO 0.74 0.07 -0.31 -1.71 -0.00 0.00 0.00 178.16 176.95 2jyn n ASN 100 N -4.46 4.34 -0.03 0.10 2.85 -1.26 -0.36 115.26 116.44 2jyn n ASN 100 Ca -0.03 -3.79 -0.08 0.00 -0.11 0.00 0.00 54.58 50.58 2jyn n ASN 100 Cb 0.14 -0.55 0.09 0.00 1.24 0.00 0.00 39.78 40.71 2jyn n ASN 100 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2jyn h PHE 101 N 1.69 0.75 -0.58 1.20 3.57 -1.65 -3.47 116.94 118.45 2jyn h PHE 101 Ca 0.33 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2jyn h PHE 101 Cb 1.40 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2jyn h PHE 101 CO 1.00 0.91 0.00 0.41 -2.23 0.00 0.00 178.31 178.40 2jyn n GLY 102 N -0.04 -0.38 2.89 2.40 0.00 -1.26 -4.98 105.19 103.82 2jyn n GLY 102 Ca -0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 0.00 -0.13 2.61 2.01 -0.35 -4.78 115.64 115.01 2jyn s THR 103 Ca 0.00 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 2jyn s THR 103 Cb 0.00 -0.05 -0.01 0.00 0.01 0.00 0.00 72.50 72.45 2jyn s THR 103 CO 0.00 -0.02 1.12 -0.22 -0.69 0.00 0.00 174.62 174.81 2jyn s LEU 104 N -0.06 4.21 0.04 4.42 0.20 -1.26 -2.09 118.68 124.15 2jyn s LEU 104 Ca -0.01 1.61 0.07 0.00 0.69 0.00 0.00 54.13 56.50 2jyn s LEU 104 Cb -0.01 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.18 2jyn s LEU 104 CO -0.00 -0.60 -0.21 -0.22 -0.29 0.00 0.00 176.35 175.03 2jyn s LEU 105 N 2.62 2.17 0.34 -0.68 2.96 -0.53 -4.73 118.68 120.81 2jyn s LEU 105 Ca 0.51 -0.52 -0.28 0.00 -0.22 0.00 0.00 54.13 53.62 2jyn s LEU 105 Cb -0.20 -0.99 -0.09 0.00 0.50 0.00 0.00 46.19 45.41 2jyn s LEU 105 CO 0.16 0.16 1.17 -0.13 -1.32 0.00 0.00 176.35 176.39 2jyn s ARG 106 N -1.17 4.36 0.22 1.98 0.52 -1.26 -1.17 118.95 122.42 2jyn s ARG 106 Ca 0.08 1.90 -0.05 0.00 -0.52 0.00 0.00 55.73 57.14 2jyn s ARG 106 Cb -0.09 -2.96 0.19 0.00 0.52 0.00 0.00 34.95 32.61 2jyn s ARG 106 CO 0.02 -0.07 1.64 1.79 0.02 0.00 0.00 175.30 178.70 2jyn h THR 107 N 2.78 1.27 -2.54 0.02 1.35 -1.60 -3.46 112.91 110.73 2jyn h THR 107 Ca -0.48 -1.29 -0.53 0.00 -0.55 0.00 0.00 66.41 63.56 2jyn h THR 107 Cb 1.22 1.15 -0.14 0.00 -1.73 0.00 0.00 68.15 68.65 2jyn h THR 107 CO 0.65 0.44 -0.74 -0.62 -0.25 0.00 0.00 175.52 175.00 2jyn s ASP 108 N -6.73 3.06 0.15 5.36 2.15 -1.26 -1.58 116.67 117.83 2jyn s ASP 108 Ca -0.10 -1.05 -0.10 0.00 0.43 0.00 0.00 52.55 51.74 2jyn s ASP 108 Cb 0.13 -0.22 -0.01 0.00 -0.30 0.00 0.00 42.92 42.53 2jyn s ASP 108 CO 0.84 -0.10 1.48 0.00 -0.17 0.00 0.00 175.17 177.22 2jyn h ALA 109 N 2.39 0.60 -0.34 3.66 0.00 -1.45 -3.05 119.26 121.07 2jyn h ALA 109 Ca -0.39 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2jyn h ALA 109 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jyn h ALA 109 CO 0.62 0.68 0.00 0.45 0.00 0.00 0.00 179.25 181.00 2jyn n SER 110 N -4.04 1.99 -4.88 0.00 2.88 -1.26 -4.66 113.62 103.64 2jyn n SER 110 Ca -0.02 -1.94 -0.30 0.00 -1.33 0.00 0.00 58.87 55.27 2jyn n SER 110 Cb 0.55 -0.23 0.02 0.00 -0.75 0.00 0.00 64.21 63.81 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 -1.55 3.08 0.00 -1.46 0.00 -1.15 -5.12 121.76 115.56 2jyn s ALA 111 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2jyn s ALA 111 Cb 0.14 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2jyn s ALA 111 CO 0.19 -0.80 0.00 -0.85 0.00 0.00 0.00 175.76 174.30 2jyn n GLU 112 N -2.77 1.79 0.00 0.00 -0.00 -1.26 -4.95 120.64 113.44 2jyn n GLU 112 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.22 2jyn n GLU 112 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 2jyn n GLU 112 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 2jyn n TYR 113 N 0.00 0.00 -2.20 -1.84 4.11 -1.26 -4.09 117.16 111.88 2jyn n TYR 113 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.57 2jyn n TYR 113 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.34 39.27 2jyn n TYR 113 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2jyn s GLY 114 N -0.45 2.13 0.33 -7.48 0.00 -1.26 -4.87 107.32 95.73 2jyn s GLY 114 Ca 0.00 0.34 0.04 0.00 0.00 0.00 0.00 44.72 45.10 2jyn s GLY 114 CO 0.00 0.64 1.91 0.06 0.00 0.00 0.00 173.10 175.71 2jyn h GLN 115 N 0.69 0.83 0.00 2.90 -0.00 -1.89 -0.77 115.11 116.87 2jyn h GLN 115 Ca -0.47 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.02 2jyn h GLN 115 Cb 1.21 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.48 28.48 2jyn h GLN 115 CO 0.59 0.55 -1.25 0.74 -0.00 0.00 0.00 178.83 179.46 2jyn h PHE 116 N 0.86 0.00 -0.01 0.06 0.04 -1.95 -3.35 116.94 112.59 2jyn h PHE 116 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 2jyn h PHE 116 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2jyn h PHE 116 CO -0.00 0.38 -0.01 0.25 -0.60 0.00 0.00 178.31 178.33 2jyn n THR 117 N -2.83 0.00 -4.03 -1.55 -2.24 -0.63 -4.79 114.28 98.22 2jyn n THR 117 Ca -0.06 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2jyn n THR 117 Cb 0.74 0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.02 0.35 0.11 4.28 -4.23 -0.39 -1.58 115.64 112.17 2jyn s THR 118 Ca 0.39 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2jyn s THR 118 Cb 0.21 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.56 2jyn s THR 118 CO 0.34 -0.42 0.02 0.00 -0.54 0.00 0.00 174.62 174.03 2jyn s PHE 120 N -3.95 3.22 0.25 0.00 0.08 -1.26 -1.46 117.98 114.86 2jyn s PHE 120 Ca 0.19 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.80 2jyn s PHE 120 Cb 0.07 -2.68 0.02 0.00 -0.57 0.00 0.00 43.02 39.87 2jyn s PHE 120 CO -0.01 -0.59 0.14 1.33 -0.10 0.00 0.00 175.22 175.99 2jyn n VAL 121 N 5.24 0.00 -2.84 -0.44 0.24 -0.89 -4.98 118.33 114.67 2jyn n VAL 121 Ca -0.10 -1.02 -0.25 0.00 -2.04 0.00 0.00 64.34 60.94 2jyn n VAL 121 Cb 0.47 -0.17 0.01 0.00 -1.47 0.00 0.00 33.84 32.69 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 -1.37 4.21 0.26 3.34 -7.23 -1.26 -1.21 120.40 117.13 2jyn s VAL 122 Ca 0.11 -0.26 -0.03 0.00 -1.81 0.00 0.00 61.98 59.98 2jyn s VAL 122 Cb -0.01 -3.58 0.25 0.00 0.56 0.00 0.00 36.38 33.60 2jyn s VAL 122 CO 0.07 -0.48 1.87 0.03 -0.31 0.00 0.00 175.10 176.28 2jyn h ARG 123 N 0.28 1.06 -0.77 4.82 2.47 -0.92 -1.11 114.38 120.21 2jyn h ARG 123 Ca -0.47 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.21 2jyn h ARG 123 Cb 1.24 -0.24 -0.04 0.00 -1.65 0.00 0.00 29.97 29.28 2jyn h ARG 123 CO 0.59 0.70 0.50 1.25 0.56 0.00 0.00 179.97 183.58 2jyn h LEU 124 N 1.09 0.85 -0.06 3.04 7.12 -1.74 -1.08 115.31 124.53 2jyn h LEU 124 Ca 0.41 -0.01 -0.22 0.00 0.13 0.00 0.00 57.88 58.20 2jyn h LEU 124 Cb 0.18 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 2jyn h LEU 124 CO -0.18 0.60 -1.00 1.56 -0.13 0.00 0.00 178.44 179.29 2jyn h GLN 125 N 1.00 0.08 -0.48 1.25 1.08 -1.75 -1.34 115.11 114.94 2jyn h GLN 125 Ca 0.29 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.41 2jyn h GLN 125 Cb -0.06 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2jyn h GLN 125 CO -0.09 1.01 0.26 0.35 -0.95 0.00 0.00 178.83 179.42 2jyn h PHE 126 N 0.03 0.49 0.36 2.96 3.57 -0.87 -2.40 116.94 121.08 2jyn h PHE 126 Ca -0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2jyn h PHE 126 Cb 1.73 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2jyn h PHE 126 CO 0.02 0.26 -0.17 1.88 -2.23 0.00 0.00 178.31 178.07 2jyn h TYR 127 N 0.52 -0.45 0.13 0.41 0.05 -1.14 -2.57 116.97 113.92 2jyn h TYR 127 Ca 0.20 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.98 2jyn h TYR 127 Cb 0.07 0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 2jyn h TYR 127 CO -0.08 -0.18 -0.53 0.00 -1.05 0.00 0.00 178.16 176.31 2jyn h ALA 128 N -0.06 -1.00 -0.07 3.88 0.00 -1.10 -0.69 119.26 120.21 2jyn h ALA 128 Ca -0.05 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2jyn h ALA 128 Cb 0.46 0.89 0.01 0.00 0.00 0.00 0.00 17.79 19.16 2jyn h ALA 128 CO 0.08 -1.13 -0.63 0.74 0.00 0.00 0.00 179.25 178.31 2jyn h PHE 129 N -0.76 0.78 0.01 0.00 0.04 -1.57 -2.92 116.94 112.52 2jyn h PHE 129 Ca -0.01 -0.37 -0.24 0.00 2.80 0.00 0.00 57.97 60.15 2jyn h PHE 129 Cb 0.77 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.82 2jyn h PHE 129 CO -0.45 1.18 -0.99 1.49 -0.60 0.00 0.00 178.31 178.93 2jyn h GLU 130 N 0.17 0.51 -0.27 1.51 4.57 -1.40 -1.95 114.58 117.71 2jyn h GLU 130 Ca -0.06 -0.56 -0.08 0.00 -1.18 0.00 0.00 59.36 57.48 2jyn h GLU 130 Cb 1.29 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 2jyn h GLU 130 CO 0.13 1.19 -0.18 0.82 -1.18 0.00 0.00 179.01 179.79 2jyn h ILE 131 N 0.28 1.25 0.14 2.32 2.04 -1.25 0.77 117.51 123.05 2jyn h ILE 131 Ca -0.10 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2jyn h ILE 131 Cb 1.64 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2jyn h ILE 131 CO 0.18 0.36 -0.12 0.00 0.00 0.00 0.00 178.15 178.57 2jyn h ALA 132 N 1.37 -0.25 -0.76 1.87 0.00 -1.35 -0.59 119.26 119.56 2jyn h ALA 132 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2jyn h ALA 132 Cb 0.57 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2jyn h ALA 132 CO 0.04 -0.65 0.50 0.00 0.00 0.00 0.00 179.25 179.13 2jyn h ARG 133 N -0.27 0.87 -0.28 0.00 3.08 -1.09 -1.12 114.38 115.56 2jyn h ARG 133 Ca -0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 2jyn h ARG 133 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2jyn h ARG 133 CO -0.02 0.57 -0.22 -0.97 -1.07 0.00 0.00 179.97 178.27 2jyn h ASN 134 N 0.90 0.68 0.96 7.04 -1.24 -0.54 0.18 115.58 123.56 2jyn h ASN 134 Ca 0.31 -0.45 -0.19 0.00 0.71 0.00 0.00 56.30 56.68 2jyn h ASN 134 Cb 0.10 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 2jyn h ASN 134 CO -0.09 0.99 -1.10 0.11 -1.29 0.00 0.00 177.43 176.04 2jyn h LYS 135 N 0.39 0.00 0.00 6.67 1.57 -0.98 -3.15 116.57 121.07 2jyn h LYS 135 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jyn h LYS 135 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2jyn h LYS 135 CO 0.06 0.63 -0.15 0.45 -0.57 0.00 0.00 179.45 179.87 2jyn h HIS 136 N 0.00 0.00 0.00 -1.35 3.86 -1.24 -3.48 115.15 112.94 2jyn h HIS 136 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2jyn h HIS 136 Cb 1.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.16 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 1.27 0.40 0.00 2.45 0.00 -0.13 -4.94 105.19 104.25 2jyn n GLY 137 Ca 0.05 -1.03 0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 0.02 -0.36 0.99 4.32 0.45 -2.81 117.00 119.62 2jyn n LEU 138 Ca 0.00 0.05 0.04 0.00 -0.02 0.00 0.00 56.01 56.09 2jyn n LEU 138 Cb 0.08 -0.06 0.10 0.00 -1.62 0.00 0.00 43.42 41.92 2jyn n LEU 138 CO 0.00 0.00 0.58 -0.46 -1.22 0.00 0.00 177.39 176.29 2jyn n ASN 139 N -1.05 2.61 0.20 -1.43 6.94 -1.21 -4.34 115.26 116.99 2jyn n ASN 139 Ca 0.22 -2.23 0.06 0.00 -0.02 0.00 0.00 54.58 52.62 2jyn n ASN 139 Cb 0.14 -0.20 0.42 0.00 -2.36 0.00 0.00 39.78 37.78 2jyn n ASN 139 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 2jyn h ASP 140 N 1.00 0.00 0.08 0.53 3.58 -1.83 -2.83 116.42 116.94 2jyn h ASP 140 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jyn h ASP 140 Cb 0.75 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.80 2jyn h ASP 140 CO 0.02 0.32 -0.02 4.11 -2.88 0.00 0.00 179.24 180.80 2jyn h TRP 141 N 0.00 0.00 -0.02 0.28 5.08 -1.85 -2.08 115.95 117.37 2jyn h TRP 141 Ca -0.00 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.84 2jyn h TRP 141 Cb 0.73 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.88 2jyn h TRP 141 CO 0.00 0.02 -0.57 0.82 -1.28 0.00 0.00 178.44 177.42 2jyn h ILE 142 N 0.00 1.40 0.00 0.12 2.04 -1.87 -2.34 117.51 116.86 2jyn h ILE 142 Ca -0.00 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2jyn h ILE 142 Cb 0.06 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2jyn h ILE 142 CO 0.00 0.56 0.00 -0.37 0.00 0.00 0.00 178.15 178.34 2jyn h VAL 143 N 0.04 0.00 -0.59 1.67 -1.51 -1.46 -3.00 116.25 111.41 2jyn h VAL 143 Ca -0.00 -0.58 -0.24 0.00 -1.23 0.00 0.00 66.70 64.65 2jyn h VAL 143 Cb 1.02 1.52 -0.14 0.00 -2.13 0.00 0.00 31.29 31.57 2jyn h VAL 143 CO 0.08 0.00 0.20 0.61 -1.23 0.00 0.00 177.57 177.23 2jyn n GLY 144 N 0.54 4.32 3.76 5.19 0.00 -0.90 -4.84 105.19 113.26 2jyn n GLY 144 Ca 0.03 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 2jyn n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jyn s GLN 145 N -3.12 3.66 0.00 1.61 -1.52 -1.12 -5.04 119.66 114.13 2jyn s GLN 145 Ca 0.50 1.97 0.15 0.00 -1.95 0.00 0.00 55.36 56.03 2jyn s GLN 145 Cb 0.42 -2.46 0.88 0.00 -0.22 0.00 0.00 33.01 31.64 2jyn s GLN 145 CO 0.08 -0.68 1.30 0.36 -0.25 0.00 0.00 175.29 176.09