#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyn h SER 2 N 0.00 0.00 0.34 6.12 0.87 -1.90 -1.49 113.55 117.50 2jyn h SER 2 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2jyn h SER 2 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2jyn h SER 2 CO 0.00 0.04 -0.42 0.74 -0.53 0.00 0.00 176.83 176.66 2jyn h THR 3 N 0.00 1.31 -1.49 2.23 2.02 -2.00 -3.45 112.91 111.52 2jyn h THR 3 Ca -0.00 -1.48 -0.47 0.00 0.77 0.00 0.00 66.41 65.23 2jyn h THR 3 Cb 0.22 1.74 0.05 0.00 -1.74 0.00 0.00 68.15 68.42 2jyn h THR 3 CO 0.00 0.43 -0.01 -0.36 0.37 0.00 0.00 175.52 175.95 2jyn s PHE 4 N -4.11 1.60 0.65 3.16 0.40 -0.56 -5.11 117.98 114.01 2jyn s PHE 4 Ca -0.03 -0.48 -0.14 0.00 -0.60 0.00 0.00 56.93 55.67 2jyn s PHE 4 Cb 0.14 -2.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 2jyn s PHE 4 CO 0.75 -1.36 1.08 -0.80 0.70 0.00 0.00 175.22 175.59 2jyn s ASN 5 N -4.68 5.37 0.25 1.36 0.01 -1.26 -4.87 114.94 111.13 2jyn s ASN 5 Ca 0.63 1.86 0.00 0.00 -0.71 0.00 0.00 52.86 54.64 2jyn s ASN 5 Cb -0.06 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2jyn s ASN 5 CO 0.41 -1.45 0.00 0.00 -1.51 0.00 0.00 177.10 174.55 2jyn n ALA 6 N -2.44 -2.48 -1.20 0.60 0.00 -1.26 -4.84 120.51 108.88 2jyn n ALA 6 Ca 0.09 0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 2jyn n ALA 6 Cb 0.53 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 2jyn n ALA 6 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jyn n GLU 7 N -3.31 -1.28 -2.61 0.00 2.13 -1.26 -4.77 120.64 109.54 2jyn n GLU 7 Ca -0.00 0.67 -0.42 0.00 0.66 0.00 0.00 57.16 58.07 2jyn n GLU 7 Cb 0.44 -4.79 -0.02 0.00 0.27 0.00 0.00 31.44 27.33 2jyn n GLU 7 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2jyn s THR 8 N -1.86 4.10 -0.33 6.31 -4.23 -1.26 -4.89 115.64 113.48 2jyn s THR 8 Ca 0.00 0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2jyn s THR 8 Cb 0.00 -4.68 0.11 0.00 1.34 0.00 0.00 72.50 69.27 2jyn s THR 8 CO 0.00 -1.24 0.13 0.00 -0.54 0.00 0.00 174.62 172.97 2jyn s ALA 9 N 4.74 1.57 -0.02 3.99 0.00 -1.26 -5.02 121.76 125.75 2jyn s ALA 9 Ca 0.43 -1.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 2jyn s ALA 9 Cb -0.08 -1.66 -0.16 0.00 0.00 0.00 0.00 23.12 21.22 2jyn s ALA 9 CO 0.26 -1.76 1.09 0.22 0.00 0.00 0.00 175.76 175.57 2jyn h ASP 10 N 7.81 -0.28 -4.93 0.00 3.58 -1.98 -3.49 116.42 117.13 2jyn h ASP 10 Ca -0.11 -0.25 0.21 0.00 0.42 0.00 0.00 57.03 57.31 2jyn h ASP 10 Cb 1.00 0.07 -0.14 0.00 1.72 0.00 0.00 39.33 41.98 2jyn h ASP 10 CO 0.46 0.16 0.65 0.21 -2.88 0.00 0.00 179.24 177.84 2jyn s ASN 11 N -5.24 -0.20 0.31 2.28 3.84 -1.26 -5.02 114.94 109.66 2jyn s ASN 11 Ca -0.14 -0.12 -0.01 0.00 0.21 0.00 0.00 52.86 52.81 2jyn s ASN 11 Cb 0.01 0.30 0.50 0.00 -0.55 0.00 0.00 41.25 41.51 2jyn s ASN 11 CO 0.52 -0.51 1.98 -0.07 -2.79 0.00 0.00 177.10 176.22 2jyn h LEU 12 N 2.00 0.87 -1.30 3.21 3.38 -1.99 -2.16 115.31 119.31 2jyn h LEU 12 Ca -0.21 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2jyn h LEU 12 Cb 1.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2jyn h LEU 12 CO 0.27 0.64 -0.34 1.05 0.09 0.00 0.00 178.44 180.15 2jyn h GLU 13 N 1.02 0.02 -0.39 1.13 -0.00 -1.97 0.25 114.58 114.64 2jyn h GLU 13 Ca 0.27 -0.01 -0.10 0.00 -0.00 0.00 0.00 59.36 59.53 2jyn h GLU 13 Cb -0.10 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.64 2jyn h GLU 13 CO -0.06 0.35 -0.14 0.22 -0.00 0.00 0.00 179.01 179.38 2jyn h ASP 14 N 0.02 0.80 -0.59 3.06 3.58 -1.83 0.10 116.42 121.56 2jyn h ASP 14 Ca -0.00 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.04 2jyn h ASP 14 Cb 0.60 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 2jyn h ASP 14 CO 0.04 1.00 0.28 0.40 -2.88 0.00 0.00 179.24 178.08 2jyn h ILE 15 N 0.59 1.21 0.00 2.25 1.08 -0.86 -2.50 117.51 119.28 2jyn h ILE 15 Ca 0.09 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2jyn h ILE 15 Cb 0.68 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2jyn h ILE 15 CO 0.05 0.25 0.00 -0.33 -0.69 0.00 0.00 178.15 177.42 2jyn h GLU 16 N 0.81 0.00 0.46 2.37 5.08 -0.90 -1.84 114.58 120.56 2jyn h GLU 16 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2jyn h GLU 16 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jyn h GLU 16 CO -0.02 0.00 -0.22 -0.22 -1.00 0.00 0.00 179.01 177.55 2jyn h LYS 17 N 0.00 -0.59 -0.28 2.33 3.64 -0.45 -1.20 116.57 120.02 2jyn h LYS 17 Ca 0.00 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2jyn h LYS 17 Cb 0.79 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2jyn h LYS 17 CO 0.00 -0.40 0.06 -0.56 -2.27 0.00 0.00 179.45 176.28 2jyn h GLN 18 N -1.10 0.41 -0.08 1.90 3.07 -1.53 -2.79 115.11 114.99 2jyn h GLN 18 Ca -0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2jyn h GLN 18 Cb 0.47 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 27.96 2jyn h GLN 18 CO 0.10 0.39 -0.03 0.35 0.09 0.00 0.00 178.83 179.73 2jyn h PHE 19 N 0.40 0.19 -0.26 0.06 3.57 -1.40 -2.83 116.94 116.68 2jyn h PHE 19 Ca 0.10 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2jyn h PHE 19 Cb 0.18 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2jyn h PHE 19 CO 0.01 0.52 0.09 0.00 -2.23 0.00 0.00 178.31 176.70 2jyn h ALA 20 N 0.64 0.34 -0.23 2.41 0.00 -1.03 -1.56 119.26 119.83 2jyn h ALA 20 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jyn h ALA 20 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jyn h ALA 20 CO 0.01 -0.04 0.05 -0.24 0.00 0.00 0.00 179.25 179.03 2jyn h VAL 21 N 0.26 1.21 -0.21 0.00 3.04 -1.61 -2.66 116.25 116.29 2jyn h VAL 21 Ca 0.08 -0.70 -0.11 0.00 -1.01 0.00 0.00 66.70 64.96 2jyn h VAL 21 Cb 0.22 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 2jyn h VAL 21 CO -0.00 0.22 -0.34 1.62 -1.01 0.00 0.00 177.57 178.05 2jyn h VAL 22 N 0.19 1.29 0.27 1.51 3.04 -1.47 -2.87 116.25 118.21 2jyn h VAL 22 Ca 0.07 -1.43 -0.01 0.00 -1.01 0.00 0.00 66.70 64.32 2jyn h VAL 22 Cb 0.29 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2jyn h VAL 22 CO 0.00 0.45 -0.13 0.00 -1.01 0.00 0.00 177.57 176.88 2jyn h ALA 23 N 1.26 -0.36 -0.72 3.17 0.00 -1.22 -1.07 119.26 120.32 2jyn h ALA 23 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2jyn h ALA 23 Cb 0.78 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2jyn h ALA 23 CO 0.06 -0.53 0.29 -0.39 0.00 0.00 0.00 179.25 178.69 2jyn h VAL 24 N -0.72 1.24 -0.22 0.00 -1.51 -1.51 -1.87 116.25 111.66 2jyn h VAL 24 Ca -0.04 -0.75 -0.18 0.00 -1.23 0.00 0.00 66.70 64.50 2jyn h VAL 24 Cb 0.49 0.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.02 2jyn h VAL 24 CO 0.06 0.31 -0.57 -0.33 -1.23 0.00 0.00 177.57 175.81 2jyn h GLU 25 N 1.04 0.69 -0.43 5.19 5.08 -1.55 -2.93 114.58 121.68 2jyn h GLU 25 Ca 0.24 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2jyn h GLU 25 Cb 0.19 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2jyn h GLU 25 CO -0.02 1.07 0.11 0.37 -1.00 0.00 0.00 179.01 179.54 2jyn h GLN 26 N 0.53 0.63 0.18 2.33 5.75 -0.69 -0.90 115.11 122.94 2jyn h GLN 26 Ca 0.01 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2jyn h GLN 26 Cb 1.15 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.60 2jyn h GLN 26 CO 0.12 0.58 -0.09 0.00 -2.65 0.00 0.00 178.83 176.79 2jyn h ALA 27 N 1.50 -0.24 0.00 3.38 0.00 -1.31 -2.00 119.26 120.60 2jyn h ALA 27 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2jyn h ALA 27 Cb 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jyn h ALA 27 CO -0.00 -0.44 -0.25 1.05 0.00 0.00 0.00 179.25 179.61 2jyn h GLU 28 N -0.63 0.00 0.09 0.00 -0.00 -1.43 -2.19 114.58 110.42 2jyn h GLU 28 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2jyn h GLU 28 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.21 2jyn h GLU 28 CO 0.04 0.25 -0.04 1.15 -0.00 0.00 0.00 179.01 180.40 2jyn h THR 29 N 0.00 1.07 -0.89 -1.06 2.02 -1.17 -1.88 112.91 111.01 2jyn h THR 29 Ca -0.00 -0.60 0.10 0.00 0.77 0.00 0.00 66.41 66.67 2jyn h THR 29 Cb 0.69 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.50 2jyn h THR 29 CO 0.03 0.15 0.58 0.22 0.37 0.00 0.00 175.52 176.86 2jyn h TYR 30 N -0.39 0.95 -0.07 3.16 3.20 -1.07 -1.04 116.97 121.71 2jyn h TYR 30 Ca -0.01 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2jyn h TYR 30 Cb 0.33 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2jyn h TYR 30 CO 0.02 0.43 -0.14 2.35 -1.64 0.00 0.00 178.16 179.18 2jyn h TRP 31 N 0.88 0.28 -0.75 -3.82 2.91 -1.37 -2.51 115.95 111.56 2jyn h TRP 31 Ca 0.41 -0.10 0.04 0.00 1.13 0.00 0.00 58.89 60.38 2jyn h TRP 31 Cb 0.42 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 28.97 2jyn h TRP 31 CO -0.00 0.74 0.46 -0.22 -1.03 0.00 0.00 178.44 178.39 2jyn h LYS 32 N -0.26 0.86 -0.62 2.65 1.63 -1.07 -1.66 116.57 118.10 2jyn h LYS 32 Ca 0.00 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 2jyn h LYS 32 Cb 0.72 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 2jyn h LYS 32 CO 0.03 0.57 0.22 -0.07 -3.45 0.00 0.00 179.45 176.75 2jyn h LEU 33 N 0.88 0.87 -0.09 5.20 3.38 -1.06 -2.78 115.31 121.71 2jyn h LEU 33 Ca 0.32 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2jyn h LEU 33 Cb 0.08 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.61 2jyn h LEU 33 CO -0.14 0.83 -0.56 -0.07 0.09 0.00 0.00 178.44 178.59 2jyn h LEU 34 N 0.87 0.65 -2.37 1.67 4.07 -1.25 -0.86 115.31 118.08 2jyn h LEU 34 Ca 0.20 -0.66 0.03 0.00 0.08 0.00 0.00 57.88 57.53 2jyn h LEU 34 Cb 0.25 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 2jyn h LEU 34 CO -0.01 1.21 0.13 0.71 -1.08 0.00 0.00 178.44 179.40 2jyn h THR 35 N 0.13 0.39 0.00 0.22 1.35 -1.27 -2.91 112.91 110.81 2jyn h THR 35 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2jyn h THR 35 Cb 1.22 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2jyn h THR 35 CO 0.12 0.00 -0.33 0.28 -0.25 0.00 0.00 175.52 175.34 2jyn h SER 36 N 0.00 0.00 -4.44 5.36 0.02 -1.45 -3.47 113.55 109.58 2jyn h SER 36 Ca 0.05 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.58 2jyn h SER 36 Cb 0.31 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.63 2jyn h SER 36 CO -0.00 0.66 -0.78 0.68 -1.14 0.00 0.00 176.83 176.24 2jyn s VAL 37 N -1.99 1.09 0.43 2.27 -7.23 -0.33 -5.12 120.40 109.52 2jyn s VAL 37 Ca -0.09 -1.21 -0.26 0.00 -1.81 0.00 0.00 61.98 58.61 2jyn s VAL 37 Cb 0.01 -1.03 -0.09 0.00 0.56 0.00 0.00 36.38 35.83 2jyn s VAL 37 CO 0.14 -0.17 1.41 -2.16 -0.31 0.00 0.00 175.10 174.02 2jyn s PRO 38 N -1.56 3.78 0.25 4.82 0.04 -1.26 -3.74 135.00 137.33 2jyn s PRO 38 Ca -0.01 2.39 0.19 0.00 0.04 0.00 0.00 61.00 63.61 2jyn s PRO 38 Cb -0.09 -2.71 0.94 0.00 0.04 0.00 0.00 34.50 32.67 2jyn s PRO 38 CO 0.02 -0.73 1.57 0.41 0.04 0.00 0.00 177.00 178.31 2jyn n GLY 39 N 0.58 -0.91 0.10 0.56 0.00 -1.26 -3.53 105.19 100.73 2jyn n GLY 39 Ca 0.04 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2jyn n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jyn h SER 40 N 0.00 -0.18 1.35 1.61 0.87 -1.90 -2.44 113.55 112.86 2jyn h SER 40 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2jyn h SER 40 Cb 0.09 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2jyn h SER 40 CO 0.00 -0.06 0.00 0.07 -0.53 0.00 0.00 176.83 176.31 2jyn h LYS 41 N 0.00 0.00 -6.40 2.24 -0.00 -1.97 -3.42 116.57 107.02 2jyn h LYS 41 Ca 0.09 0.00 -0.55 0.00 -0.00 0.00 0.00 60.65 60.19 2jyn h LYS 41 Cb 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.32 2jyn h LYS 41 CO -0.20 0.00 1.12 -0.51 -0.00 0.00 0.00 179.45 179.87 2jyn s LEU 42 N -5.92 3.46 -0.21 7.07 1.43 -0.92 -4.99 118.68 118.61 2jyn s LEU 42 Ca 0.04 0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 2jyn s LEU 42 Cb 0.08 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.11 2jyn s LEU 42 CO 0.58 -1.68 1.02 -0.13 0.23 0.00 0.00 176.35 176.37 2jyn s ARG 43 N 5.47 4.29 0.11 1.70 3.00 -1.26 -4.95 118.95 127.30 2jyn s ARG 43 Ca 0.58 1.34 -0.14 0.00 0.00 0.00 0.00 55.73 57.51 2jyn s ARG 43 Cb -0.13 -3.62 -0.07 0.00 0.00 0.00 0.00 34.95 31.14 2jyn s ARG 43 CO 0.28 -0.56 1.45 -0.07 0.00 0.00 0.00 175.30 176.40 2jyn h LEU 44 N 9.15 0.78 -8.79 2.53 -0.00 -1.94 -3.47 115.31 113.57 2jyn h LEU 44 Ca -0.22 -0.44 -0.41 0.00 -0.00 0.00 0.00 57.88 56.81 2jyn h LEU 44 Cb 1.08 -0.22 -0.12 0.00 -0.00 0.00 0.00 40.66 41.40 2jyn h LEU 44 CO 0.95 1.06 -0.41 0.42 -0.00 0.00 0.00 178.44 180.46 2jyn s THR 45 N -4.47 0.00 -0.59 0.22 -4.23 -1.26 -5.02 115.64 100.29 2jyn s THR 45 Ca -0.12 -1.89 0.07 0.00 -1.18 0.00 0.00 61.69 58.57 2jyn s THR 45 Cb 0.09 -2.54 0.43 0.00 1.34 0.00 0.00 72.50 71.82 2jyn s THR 45 CO 0.83 0.00 1.17 0.29 -0.54 0.00 0.00 174.62 176.37 2jyn n LYS 46 N -0.60 3.02 -0.16 3.99 5.02 -1.26 -3.54 118.16 124.64 2jyn n LYS 46 Ca 0.06 -1.66 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 2jyn n LYS 46 Cb 0.62 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2jyn n LYS 46 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jyn n PHE 47 N 0.31 0.00 -0.33 2.13 3.72 -1.26 -4.98 117.46 117.04 2jyn n PHE 47 Ca 0.15 -0.04 0.05 0.00 -0.05 0.00 0.00 57.45 57.57 2jyn n PHE 47 Cb 0.76 -0.02 0.24 0.00 -0.94 0.00 0.00 39.48 39.52 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 0.93 -0.33 4.37 2.03 -1.96 -1.84 116.42 119.62 2jyn h ASP 48 Ca 0.00 0.02 -0.06 0.00 -0.73 0.00 0.00 57.03 56.26 2jyn h ASP 48 Cb 1.11 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.42 2jyn h ASP 48 CO 0.00 0.56 -0.03 -0.78 -1.03 0.00 0.00 179.24 177.96 2jyn h ASP 49 N 1.03 0.59 1.40 4.15 3.58 -1.94 -2.60 116.42 122.64 2jyn h ASP 49 Ca 0.44 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2jyn h ASP 49 Cb 0.32 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2jyn h ASP 49 CO -0.19 0.78 -0.40 1.05 -2.88 0.00 0.00 179.24 177.60 2jyn h GLU 50 N 0.39 0.00 -0.47 0.28 4.11 -1.86 -2.71 114.58 114.31 2jyn h GLU 50 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.46 2jyn h GLU 50 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2jyn h GLU 50 CO 0.02 0.40 0.07 0.82 0.07 0.00 0.00 179.01 180.40 2jyn h ILE 51 N 0.00 1.25 -0.22 -1.06 2.04 -1.23 -1.27 117.51 117.02 2jyn h ILE 51 Ca -0.00 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 64.97 2jyn h ILE 51 Cb 1.21 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2jyn h ILE 51 CO 0.05 0.32 0.05 0.22 0.00 0.00 0.00 178.15 178.80 2jyn h TYR 52 N 0.65 0.10 -0.10 1.37 3.20 -1.39 -1.54 116.97 119.25 2jyn h TYR 52 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2jyn h TYR 52 Cb 0.39 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2jyn h TYR 52 CO 0.03 0.04 0.03 0.93 -1.64 0.00 0.00 178.16 177.54 2jyn h GLU 53 N 0.15 0.16 0.00 1.82 5.08 -1.37 -2.43 114.58 117.99 2jyn h GLU 53 Ca 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2jyn h GLU 53 Cb 0.08 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jyn h GLU 53 CO -0.12 0.33 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.19 2jyn h ASN 54 N -0.03 0.00 -0.25 1.42 2.35 -1.22 -0.52 115.58 117.32 2jyn h ASN 54 Ca 0.03 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 2jyn h ASN 54 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2jyn h ASN 54 CO -0.00 0.11 -0.34 0.15 -1.65 0.00 0.00 177.43 175.70 2jyn h PHE 55 N 0.00 0.92 0.00 1.19 3.57 -0.88 -1.75 116.94 120.00 2jyn h PHE 55 Ca -0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2jyn h PHE 55 Cb 0.29 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2jyn h PHE 55 CO 0.00 1.01 -0.51 0.00 -2.23 0.00 0.00 178.31 176.58 2jyn h MET 56 N 0.65 0.00 0.04 1.11 -0.00 -0.87 -0.46 114.93 115.40 2jyn h MET 56 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2jyn h MET 56 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.49 2jyn h MET 56 CO 0.08 0.00 -0.02 0.93 -0.00 0.00 0.00 176.91 177.90 2jyn h GLU 57 N 0.00 -0.05 0.00 -0.10 4.39 -1.09 -3.04 114.58 114.69 2jyn h GLU 57 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2jyn h GLU 57 Cb 0.84 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2jyn h GLU 57 CO 0.00 0.61 -0.69 0.00 -1.16 0.00 0.00 179.01 177.77 2jyn h ARG 58 N -0.88 0.00 -2.56 2.33 -0.00 -1.43 -3.37 114.38 108.47 2jyn h ARG 58 Ca -0.01 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.87 2jyn h ARG 58 Cb 0.68 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.25 2jyn h ARG 58 CO 0.01 0.43 -0.76 1.19 0.00 0.00 0.00 179.97 180.84 2jyn n PHE 59 N -3.14 1.72 1.10 3.04 3.01 -0.18 -4.93 117.46 118.09 2jyn n PHE 59 Ca -0.00 -3.91 0.10 0.00 1.01 0.00 0.00 57.45 54.64 2jyn n PHE 59 Cb 0.74 -0.34 0.55 0.00 -0.01 0.00 0.00 39.48 40.42 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 1.89 0.48 0.09 -1.08 -0.04 -1.15 -2.39 135.00 132.80 2jyn n PRO 60 Ca 0.25 0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.72 2jyn n PRO 60 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.02 0.54 4.11 -1.92 -3.36 114.58 113.98 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 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2jyn h GLU 61 CO 0.00 0.81 -1.12 0.10 0.07 0.00 0.00 179.01 178.87 2jyn h TYR 62 N 0.00 0.08 0.00 2.06 -0.00 -1.80 -3.38 116.97 113.93 2jyn h TYR 62 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 58.73 58.66 2jyn h TYR 62 Cb 1.59 -0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.32 2jyn h TYR 62 CO 0.00 1.05 0.04 1.57 -0.00 0.00 0.00 178.16 180.82 2jyn h LYS 63 N 0.01 0.00 -6.86 0.10 2.10 -1.71 -3.04 116.57 107.17 2jyn h LYS 63 Ca -0.06 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.05 2jyn h LYS 63 Cb 1.83 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 33.25 2jyn h LYS 63 CO 0.14 0.00 0.85 -0.51 -2.00 0.00 0.00 179.45 177.93 2jyn s ASP 64 N -4.95 6.35 0.29 7.07 1.11 -1.26 -4.85 116.67 120.42 2jyn s ASP 64 Ca -0.05 3.00 0.03 0.00 0.18 0.00 0.00 52.55 55.72 2jyn s ASP 64 Cb 0.12 -2.65 0.67 0.00 1.07 0.00 0.00 42.92 42.13 2jyn s ASP 64 CO 0.37 -0.91 1.77 0.58 1.18 0.00 0.00 175.17 178.16 2jyn h VAL 65 N 3.23 0.70 0.00 -1.27 2.07 -1.97 0.45 116.25 119.45 2jyn h VAL 65 Ca -0.49 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 2jyn h VAL 65 Cb 1.23 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2jyn h VAL 65 CO 0.74 0.13 -0.30 -0.33 0.02 0.00 0.00 177.57 177.82 2jyn h GLU 66 N 0.69 0.00 0.00 1.57 5.08 -1.91 -1.34 114.58 118.67 2jyn h GLU 66 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2jyn h GLU 66 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2jyn h GLU 66 CO -0.39 0.30 -0.75 0.54 -1.00 0.00 0.00 179.01 177.72 2jyn n ARG 67 N -3.45 0.23 0.05 2.33 5.12 -0.04 -3.74 116.66 117.17 2jyn n ARG 67 Ca 0.00 0.04 -0.22 0.00 -1.93 0.00 0.00 57.85 55.74 2jyn n ARG 67 Cb 0.48 -1.62 -0.15 0.00 -1.16 0.00 0.00 32.46 30.02 2jyn n ARG 67 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2jyn h VAL 68 N 0.00 1.16 0.17 1.55 2.07 -0.72 -3.40 116.25 117.08 2jyn h VAL 68 Ca 0.00 -2.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 2jyn h VAL 68 Cb 0.69 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2jyn h VAL 68 CO 0.00 0.75 -0.08 0.07 0.02 0.00 0.00 177.57 178.33 2jyn h LYS 69 N -0.17 -0.22 -4.86 1.57 2.10 -1.39 -3.44 116.57 110.17 2jyn h LYS 69 Ca -0.27 0.01 -0.29 0.00 -2.00 0.00 0.00 60.65 58.11 2jyn h LYS 69 Cb 1.86 0.05 -0.16 0.00 -0.90 0.00 0.00 32.23 33.08 2jyn h LYS 69 CO 0.14 0.02 -0.72 -1.59 -2.00 0.00 0.00 179.45 175.30 2jyn s LYS 70 N -5.30 0.86 0.17 0.07 0.00 -1.24 -0.32 119.74 113.97 2jyn s LYS 70 Ca -0.15 -1.24 -0.08 0.00 0.00 0.00 0.00 55.97 54.51 2jyn s LYS 70 Cb 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 37.83 37.42 2jyn s LYS 70 CO 0.63 0.05 0.26 -0.59 0.00 0.00 0.00 175.35 175.69 2jyn s PHE 71 N -2.91 0.49 0.29 1.78 -0.12 -0.43 -4.66 117.98 112.42 2jyn s PHE 71 Ca 0.08 -0.85 0.09 0.00 -0.05 0.00 0.00 56.93 56.20 2jyn s PHE 71 Cb 0.00 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 2jyn s PHE 71 CO -0.01 -0.71 0.10 0.99 -0.05 0.00 0.00 175.22 175.54 2jyn s THR 72 N -3.99 3.57 0.16 -4.49 2.01 -1.26 -4.52 115.64 107.12 2jyn s THR 72 Ca 0.20 -1.71 -0.12 0.00 0.31 0.00 0.00 61.69 60.37 2jyn s THR 72 Cb 0.04 -3.03 0.05 0.00 0.01 0.00 0.00 72.50 69.57 2jyn s THR 72 CO 0.01 -0.31 1.67 1.05 -0.69 0.00 0.00 174.62 176.36 2jyn h GLU 73 N 1.67 0.91 -0.47 4.92 4.11 -1.97 -3.27 114.58 120.48 2jyn h GLU 73 Ca -0.45 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 58.74 2jyn h GLU 73 Cb 1.25 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2jyn h GLU 73 CO 0.61 0.86 0.23 1.05 0.07 0.00 0.00 179.01 181.83 2jyn h GLU 74 N 0.81 0.64 0.00 1.06 4.11 -1.96 -1.36 114.58 117.87 2jyn h GLU 74 Ca 0.17 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2jyn h GLU 74 Cb 0.37 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jyn h GLU 74 CO 0.00 0.49 0.00 -0.85 0.07 0.00 0.00 179.01 178.73 2jyn n GLU 75 N -4.40 0.14 -0.03 1.06 0.28 -1.23 -2.07 120.64 114.39 2jyn n GLU 75 Ca 0.04 0.18 -0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2jyn n GLU 75 Cb 0.11 -1.68 -0.14 0.00 1.43 0.00 0.00 31.44 31.16 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 -1.92 1.14 -0.05 -1.84 4.77 -0.62 -4.37 117.00 114.11 2jyn n LEU 76 Ca 0.05 0.33 0.15 0.00 -0.03 0.00 0.00 56.01 56.51 2jyn n LEU 76 Cb 0.34 -0.04 0.87 0.00 -2.33 0.00 0.00 43.42 42.26 2jyn n LEU 76 CO 0.26 0.49 1.06 0.29 -1.33 0.00 0.00 177.39 178.16 2jyn n LYS 77 N -3.09 1.07 -2.72 3.23 5.02 -0.61 -3.39 118.16 117.66 2jyn n LYS 77 Ca -0.22 -0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 55.62 2jyn n LYS 77 Cb 1.06 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.53 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 -2.00 4.12 0.22 -0.18 -1.32 -1.05 -4.94 115.64 110.50 2jyn s THR 78 Ca 0.45 1.52 -0.09 0.00 -1.21 0.00 0.00 61.69 62.37 2jyn s THR 78 Cb 0.21 -3.73 0.19 0.00 -1.51 0.00 0.00 72.50 67.66 2jyn s THR 78 CO 0.35 -0.09 1.70 0.50 -2.21 0.00 0.00 174.62 174.87 2jyn h LYS 79 N 2.40 0.25 -0.41 7.08 3.64 -1.95 -1.79 116.57 125.80 2jyn h LYS 79 Ca -0.48 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 2jyn h LYS 79 Cb 1.20 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 2jyn h LYS 79 CO 0.62 0.17 0.13 0.93 -2.27 0.00 0.00 179.45 179.03 2jyn h GLU 80 N 0.26 0.27 -0.30 1.90 4.39 -1.93 -1.56 114.58 117.61 2jyn h GLU 80 Ca 0.34 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.91 2jyn h GLU 80 Cb 0.54 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2jyn h GLU 80 CO -0.44 0.18 -0.29 0.00 -1.16 0.00 0.00 179.01 177.30 2jyn h ALA 81 N 1.27 0.43 -0.40 3.43 0.00 -1.67 -1.21 119.26 121.12 2jyn h ALA 81 Ca 0.19 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2jyn h ALA 81 Cb 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2jyn h ALA 81 CO -0.21 0.45 0.20 0.87 0.00 0.00 0.00 179.25 180.56 2jyn h LYS 82 N 0.47 0.39 -0.18 0.00 1.57 -1.09 0.02 116.57 117.75 2jyn h LYS 82 Ca 0.05 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2jyn h LYS 82 Cb 0.86 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2jyn h LYS 82 CO 0.07 0.26 0.10 0.93 -0.57 0.00 0.00 179.45 180.24 2jyn h GLU 83 N 0.40 0.21 -0.66 3.15 5.08 -1.26 -2.60 114.58 118.90 2jyn h GLU 83 Ca 0.17 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 2jyn h GLU 83 Cb 0.08 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2jyn h GLU 83 CO -0.12 0.14 0.44 0.00 -1.00 0.00 0.00 179.01 178.47 2jyn h ARG 84 N 0.21 0.55 0.00 2.33 3.08 -0.53 0.36 114.38 120.39 2jyn h ARG 84 Ca 0.07 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2jyn h ARG 84 Cb -0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2jyn h ARG 84 CO -0.03 0.36 -0.50 -1.49 -1.07 0.00 0.00 179.97 177.24 2jyn h TRP 85 N 0.57 0.00 -0.06 3.04 -0.00 -0.79 -0.14 115.95 118.57 2jyn h TRP 85 Ca 0.30 0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 59.07 2jyn h TRP 85 Cb 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.60 2jyn h TRP 85 CO -0.00 0.50 -0.43 -0.09 -0.00 0.00 0.00 178.44 178.42 2jyn h ARG 86 N 0.00 0.39 -0.66 0.49 2.43 -0.62 -0.94 114.38 115.47 2jyn h ARG 86 Ca -0.01 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2jyn h ARG 86 Cb 1.00 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2jyn h ARG 86 CO 0.07 0.99 0.42 0.87 -1.51 0.00 0.00 179.97 180.81 2jyn h LYS 87 N -0.09 0.88 -0.35 0.20 6.56 -1.06 -0.34 116.57 122.37 2jyn h LYS 87 Ca -0.04 -0.06 -0.15 0.00 -1.06 0.00 0.00 60.65 59.34 2jyn h LYS 87 Cb 1.10 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 2jyn h LYS 87 CO 0.09 0.60 -0.39 0.35 -2.06 0.00 0.00 179.45 178.03 2jyn h PHE 88 N 0.90 1.02 -0.24 -1.35 3.57 -1.02 -2.88 116.94 116.95 2jyn h PHE 88 Ca 0.24 -0.30 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2jyn h PHE 88 Cb -0.08 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2jyn h PHE 88 CO 0.00 1.10 0.15 0.35 -2.23 0.00 0.00 178.31 177.68 2jyn h PHE 89 N 0.70 0.31 0.00 0.41 3.57 -0.79 -3.06 116.94 118.08 2jyn h PHE 89 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2jyn h PHE 89 Cb 0.97 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2jyn h PHE 89 CO 0.06 0.23 0.00 1.79 -2.23 0.00 0.00 178.31 178.16 2jyn h THR 90 N 0.30 0.00 -0.04 4.41 1.35 -0.86 0.37 112.91 118.43 2jyn h THR 90 Ca 0.09 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.78 2jyn h THR 90 Cb 0.01 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2jyn h THR 90 CO -0.02 0.00 -0.14 0.40 -0.25 0.00 0.00 175.52 175.52 2jyn h ILE 91 N 0.00 1.45 -0.54 6.82 2.04 -1.41 -3.38 117.51 122.49 2jyn h ILE 91 Ca 0.00 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2jyn h ILE 91 Cb 0.16 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2jyn h ILE 91 CO 0.00 0.42 0.00 0.49 0.00 0.00 0.00 178.15 179.06 2jyn n PHE 92 N -4.62 0.71 0.30 1.37 3.72 0.21 -4.11 117.46 115.05 2jyn n PHE 92 Ca -0.08 -0.39 0.18 0.00 -0.05 0.00 0.00 57.45 57.11 2jyn n PHE 92 Cb 0.39 -0.00 0.83 0.00 -0.94 0.00 0.00 39.48 39.76 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 4.04 0.00 0.00 -1.08 4.11 -0.58 0.17 114.58 121.25 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 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2jyn h GLU 93 CO 0.00 0.00 -0.16 1.63 0.07 0.00 0.00 179.01 180.55 2jyn n LYS 94 N -2.92 0.08 0.00 1.06 4.76 -1.26 -4.61 118.16 115.28 2jyn n LYS 94 Ca -0.01 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2jyn n LYS 94 Cb 0.20 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 2jyn n LYS 94 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2jyn n LYS 95 N -1.70 0.00 -3.00 1.97 2.85 -1.03 -5.01 118.16 112.24 2jyn n LYS 95 Ca 0.06 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.89 2jyn n LYS 95 Cb 0.37 -0.16 -0.05 0.00 -0.65 0.00 0.00 35.03 34.54 2jyn n LYS 95 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2jyn s ILE 96 N -1.64 4.62 -0.06 0.58 -1.09 0.58 -4.93 121.20 119.25 2jyn s ILE 96 Ca 0.00 -0.32 -0.19 0.00 -2.23 0.00 0.00 60.65 57.90 2jyn s ILE 96 Cb 0.00 -4.47 -0.14 0.00 -1.58 0.00 0.00 42.46 36.26 2jyn s ILE 96 CO 0.00 -1.07 0.76 -0.33 -1.23 0.00 0.00 174.94 173.06 2jyn h GLU 97 N 9.23 -0.20 -2.70 2.79 5.08 -1.86 -3.37 114.58 123.54 2jyn h GLU 97 Ca -0.28 0.01 -0.74 0.00 -1.00 0.00 0.00 59.36 57.36 2jyn h GLU 97 Cb 1.08 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 2jyn h GLU 97 CO 1.06 0.20 2.52 -0.25 -1.00 0.00 0.00 179.01 181.54 2jyn n ASP 98 N -4.91 7.93 0.00 1.42 8.00 -1.26 -4.64 116.55 123.09 2jyn n ASP 98 Ca -0.07 -3.09 -0.08 0.00 0.71 0.00 0.00 54.79 52.26 2jyn n ASP 98 Cb 0.25 -1.38 0.09 0.00 -0.02 0.00 0.00 41.12 40.06 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2jyn h TYR 99 N 4.70 0.66 -2.40 1.24 -0.00 -1.96 -3.29 116.97 115.93 2jyn h TYR 99 Ca 0.70 -0.21 -0.68 0.00 -0.00 0.00 0.00 58.73 58.54 2jyn h TYR 99 Cb 0.32 -0.14 -0.36 0.00 -0.00 0.00 0.00 36.73 36.55 2jyn h TYR 99 CO 1.61 0.91 -0.01 -1.71 -0.00 0.00 0.00 178.16 178.96 2jyn n ASN 100 N -4.00 5.16 -0.02 0.10 5.15 -1.26 -0.63 115.26 119.76 2jyn n ASN 100 Ca -0.02 -3.54 -0.02 0.00 -0.60 0.00 0.00 54.58 50.40 2jyn n ASN 100 Cb 0.55 -0.87 -0.13 0.00 -0.53 0.00 0.00 39.78 38.80 2jyn n ASN 100 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2jyn n PHE 101 N 0.55 0.48 -0.07 1.20 7.35 -1.24 -4.97 117.46 120.77 2jyn n PHE 101 Ca 0.32 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 2jyn n PHE 101 Cb 0.36 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.23 2jyn n PHE 101 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jyn n GLY 102 N 1.50 0.67 3.08 7.13 0.00 -1.26 -4.84 105.19 111.46 2jyn n GLY 102 Ca -0.17 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 0.10 -0.26 2.61 2.01 -0.88 -4.23 115.64 115.00 2jyn s THR 103 Ca 0.00 -0.84 -0.15 0.00 0.31 0.00 0.00 61.69 61.00 2jyn s THR 103 Cb 0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 2jyn s THR 103 CO 0.00 -0.46 0.38 -0.22 -0.69 0.00 0.00 174.62 173.63 2jyn s LEU 104 N -1.58 4.06 0.01 4.42 1.98 -1.24 -2.05 118.68 124.28 2jyn s LEU 104 Ca -0.13 0.35 0.06 0.00 -2.89 0.00 0.00 54.13 51.52 2jyn s LEU 104 Cb -0.07 -2.45 -0.02 0.00 0.66 0.00 0.00 46.19 44.31 2jyn s LEU 104 CO -0.00 -0.17 -0.19 -0.22 -1.89 0.00 0.00 176.35 173.88 2jyn s LEU 105 N 1.92 2.08 0.34 -0.68 2.96 -1.07 -4.58 118.68 119.66 2jyn s LEU 105 Ca 0.16 -0.40 -0.26 0.00 -0.22 0.00 0.00 54.13 53.41 2jyn s LEU 105 Cb -0.15 -0.95 -0.09 0.00 0.50 0.00 0.00 46.19 45.49 2jyn s LEU 105 CO 0.09 0.20 1.00 0.00 -1.32 0.00 0.00 176.35 176.32 2jyn s ARG 106 N -0.71 4.46 0.06 1.98 1.70 -1.26 -1.08 118.95 124.11 2jyn s ARG 106 Ca 0.07 1.47 -0.23 0.00 -0.47 0.00 0.00 55.73 56.57 2jyn s ARG 106 Cb -0.08 -2.79 -0.15 0.00 -0.57 0.00 0.00 34.95 31.36 2jyn s ARG 106 CO 0.00 0.14 1.57 1.79 -1.08 0.00 0.00 175.30 177.72 2jyn h THR 107 N 2.56 1.16 -3.70 4.99 1.35 -1.34 -3.43 112.91 114.50 2jyn h THR 107 Ca -0.47 -0.49 -0.68 0.00 -0.55 0.00 0.00 66.41 64.22 2jyn h THR 107 Cb 1.20 1.38 -0.24 0.00 -1.73 0.00 0.00 68.15 68.77 2jyn h THR 107 CO 0.64 0.14 -0.75 -0.62 -0.25 0.00 0.00 175.52 174.68 2jyn s ASP 108 N -5.47 4.18 0.14 5.36 2.15 -1.26 -1.31 116.67 120.47 2jyn s ASP 108 Ca -0.14 -0.20 -0.14 0.00 0.43 0.00 0.00 52.55 52.50 2jyn s ASP 108 Cb 0.05 -1.20 0.01 0.00 -0.30 0.00 0.00 42.92 41.48 2jyn s ASP 108 CO 0.68 0.28 1.64 0.00 -0.17 0.00 0.00 175.17 177.60 2jyn h ALA 109 N 5.84 0.62 -0.31 3.66 0.00 -0.95 -2.40 119.26 125.71 2jyn h ALA 109 Ca -0.39 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2jyn h ALA 109 Cb 1.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jyn h ALA 109 CO 0.53 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.97 2jyn n SER 110 N -4.47 2.60 -4.70 0.00 3.41 -1.24 -4.62 113.62 104.60 2jyn n SER 110 Ca 0.01 -2.23 -0.29 0.00 -0.26 0.00 0.00 58.87 56.10 2jyn n SER 110 Cb 0.23 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jyn s ALA 111 N -1.69 3.32 0.97 7.33 0.00 -0.91 -5.14 121.76 125.64 2jyn s ALA 111 Ca 0.25 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 2jyn s ALA 111 Cb 0.16 -1.18 0.11 0.00 0.00 0.00 0.00 23.12 22.21 2jyn s ALA 111 CO 0.12 0.62 0.65 -0.85 0.00 0.00 0.00 175.76 176.29 2jyn n GLU 112 N 0.26 -0.59 -1.85 0.00 -0.00 -1.26 -4.87 120.64 112.34 2jyn n GLU 112 Ca -0.10 -1.03 -0.41 0.00 -0.00 0.00 0.00 57.16 55.62 2jyn n GLU 112 Cb 0.53 -0.65 -0.01 0.00 -0.00 0.00 0.00 31.44 31.31 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 -2.86 2.74 -4.26 -1.84 4.11 -1.26 -4.64 117.16 109.15 2jyn n TYR 113 Ca 0.08 -2.91 -0.24 0.00 -0.00 0.00 0.00 57.90 54.83 2jyn n TYR 113 Cb 0.28 -2.13 -0.07 0.00 -0.00 0.00 0.00 39.34 37.42 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 1.32 1.66 0.20 -7.48 0.00 -1.26 -5.02 107.32 96.75 2jyn s GLY 114 Ca 0.54 -1.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 2jyn s GLY 114 CO -0.06 -1.61 1.67 -1.61 0.00 0.00 0.00 173.10 171.49 2jyn h GLN 115 N 2.14 0.10 0.00 2.90 4.15 -1.92 -0.84 115.11 121.63 2jyn h GLN 115 Ca -0.45 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 58.83 2jyn h GLN 115 Cb 1.23 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2jyn h GLN 115 CO 0.59 0.07 -0.81 0.74 -1.93 0.00 0.00 178.83 177.49 2jyn h PHE 116 N 0.10 0.00 -0.44 3.99 0.04 -1.97 -3.18 116.94 115.48 2jyn h PHE 116 Ca 0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.06 2jyn h PHE 116 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2jyn h PHE 116 CO -0.36 0.55 0.00 0.25 -0.60 0.00 0.00 178.31 178.15 2jyn n THR 117 N -3.13 0.62 -4.10 -1.55 -2.24 -0.78 -4.85 114.28 98.25 2jyn n THR 117 Ca -0.02 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 2jyn n THR 117 Cb 0.78 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.42 0.54 0.00 4.28 -4.23 -0.39 -0.98 115.64 113.44 2jyn s THR 118 Ca 0.30 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.33 2jyn s THR 118 Cb 0.16 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.92 2jyn s THR 118 CO 0.20 -0.63 0.03 0.00 -0.54 0.00 0.00 174.62 173.68 2jyn s PHE 120 N -0.90 3.26 0.36 0.00 0.08 -1.26 -2.59 117.98 116.93 2jyn s PHE 120 Ca -0.10 1.29 0.05 0.00 0.12 0.00 0.00 56.93 58.29 2jyn s PHE 120 Cb -0.06 -3.37 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 2jyn s PHE 120 CO -0.00 -1.09 0.19 0.14 -0.10 0.00 0.00 175.22 174.37 2jyn s VAL 121 N 2.17 0.30 0.56 -0.44 -7.23 -0.87 -4.98 120.40 109.90 2jyn s VAL 121 Ca 0.54 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 2jyn s VAL 121 Cb -0.23 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.31 2jyn s VAL 121 CO 0.21 0.00 0.79 0.68 -0.31 0.00 0.00 175.10 176.47 2jyn s VAL 122 N -3.39 2.70 0.36 1.32 -7.23 -1.26 -2.06 120.40 110.84 2jyn s VAL 122 Ca 0.33 -0.63 0.03 0.00 -1.81 0.00 0.00 61.98 59.90 2jyn s VAL 122 Cb 0.03 -3.02 0.27 0.00 0.56 0.00 0.00 36.38 34.21 2jyn s VAL 122 CO 0.20 -0.02 2.01 0.03 -0.31 0.00 0.00 175.10 177.02 2jyn h ARG 123 N 0.04 0.79 -0.15 4.82 2.47 -1.13 -1.58 114.38 119.63 2jyn h ARG 123 Ca -0.42 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 2jyn h ARG 123 Cb 1.30 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 2jyn h ARG 123 CO 0.53 0.52 0.04 1.25 0.56 0.00 0.00 179.97 182.88 2jyn h LEU 124 N 0.82 0.23 -0.77 3.04 7.12 -1.70 -0.49 115.31 123.56 2jyn h LEU 124 Ca 0.23 -0.21 -0.09 0.00 0.13 0.00 0.00 57.88 57.93 2jyn h LEU 124 Cb -0.08 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 2jyn h LEU 124 CO -0.05 0.38 -0.04 1.56 -0.13 0.00 0.00 178.44 180.15 2jyn h GLN 125 N 0.06 0.89 0.72 1.25 4.20 -1.83 -2.05 115.11 118.36 2jyn h GLN 125 Ca 0.05 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 2jyn h GLN 125 Cb 0.24 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2jyn h GLN 125 CO -0.00 0.91 -0.50 0.35 -0.67 0.00 0.00 178.83 178.92 2jyn h PHE 126 N 0.82 -1.35 -0.41 2.96 3.57 -1.09 -2.74 116.94 118.70 2jyn h PHE 126 Ca 0.15 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.70 2jyn h PHE 126 Cb 0.55 0.49 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 2jyn h PHE 126 CO 0.03 -0.72 0.10 1.88 -2.23 0.00 0.00 178.31 177.37 2jyn h TYR 127 N -1.16 0.17 0.07 0.41 0.05 -1.06 0.54 116.97 115.98 2jyn h TYR 127 Ca -0.10 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.72 2jyn h TYR 127 Cb 0.95 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 2jyn h TYR 127 CO -0.15 0.04 -0.47 0.00 -1.05 0.00 0.00 178.16 176.53 2jyn h ALA 128 N 1.30 -0.94 -0.29 3.88 0.00 -1.35 -0.32 119.26 121.54 2jyn h ALA 128 Ca 0.20 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2jyn h ALA 128 Cb 0.22 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2jyn h ALA 128 CO -0.24 -1.06 -0.23 0.74 0.00 0.00 0.00 179.25 178.46 2jyn h PHE 129 N -0.65 0.60 -0.02 0.00 0.04 -1.38 -3.02 116.94 112.51 2jyn h PHE 129 Ca -0.00 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 2jyn h PHE 129 Cb 0.67 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.67 2jyn h PHE 129 CO -0.46 0.73 -0.11 1.49 -0.60 0.00 0.00 178.31 179.36 2jyn h GLU 130 N 0.48 0.12 -0.89 1.51 4.57 -0.37 -0.70 114.58 119.29 2jyn h GLU 130 Ca 0.07 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2jyn h GLU 130 Cb 0.65 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.21 2jyn h GLU 130 CO 0.05 0.74 0.57 0.82 -1.18 0.00 0.00 179.01 180.01 2jyn h ILE 131 N -0.48 1.13 0.39 2.32 2.04 -1.18 -0.29 117.51 121.44 2jyn h ILE 131 Ca -0.01 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2jyn h ILE 131 Cb 0.76 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2jyn h ILE 131 CO 0.02 0.20 -0.29 0.00 0.00 0.00 0.00 178.15 178.08 2jyn h ALA 132 N 1.37 -0.68 -0.25 1.87 0.00 -1.40 -2.01 119.26 118.16 2jyn h ALA 132 Ca 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2jyn h ALA 132 Cb 0.02 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jyn h ALA 132 CO -0.12 -0.91 0.08 0.00 0.00 0.00 0.00 179.25 178.29 2jyn h ARG 133 N -0.68 0.35 -0.11 0.00 3.08 -0.93 -1.08 114.38 115.02 2jyn h ARG 133 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2jyn h ARG 133 Cb 0.59 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2jyn h ARG 133 CO 0.00 0.32 -0.03 -0.97 -1.07 0.00 0.00 179.97 178.22 2jyn h ASN 134 N 0.36 0.21 -0.31 7.04 -1.24 -0.89 0.92 115.58 121.67 2jyn h ASN 134 Ca 0.09 -0.38 -0.12 0.00 0.71 0.00 0.00 56.30 56.60 2jyn h ASN 134 Cb 0.12 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 2jyn h ASN 134 CO -0.01 0.55 -0.22 0.11 -1.29 0.00 0.00 177.43 176.56 2jyn h LYS 135 N -0.12 0.79 0.00 6.67 1.57 -1.14 -2.63 116.57 121.71 2jyn h LYS 135 Ca 0.03 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2jyn h LYS 135 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2jyn h LYS 135 CO 0.01 0.94 0.00 0.72 -0.57 0.00 0.00 179.45 180.55 2jyn n HIS 136 N -4.11 0.49 -1.96 -1.35 8.25 -0.43 -4.94 115.22 111.17 2jyn n HIS 136 Ca 0.00 0.15 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 2jyn n HIS 136 Cb 0.44 -0.75 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 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 0.35 0.09 -1.41 0.00 0.10 -4.90 105.19 100.46 2jyn n GLY 137 Ca 0.05 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.74 0.72 -1.27 0.99 4.77 0.02 -2.79 117.00 117.70 2jyn n LEU 138 Ca -0.15 0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 2jyn n LEU 138 Cb 0.55 -0.30 0.20 0.00 -2.33 0.00 0.00 43.42 41.54 2jyn n LEU 138 CO 0.19 -0.13 0.76 0.59 -1.33 0.00 0.00 177.39 177.46 2jyn n ASN 139 N -2.16 2.73 -0.00 -1.43 4.13 -1.23 -3.71 115.26 113.58 2jyn n ASN 139 Ca 0.05 -3.70 -0.10 0.00 1.68 0.00 0.00 54.58 52.51 2jyn n ASN 139 Cb 0.42 -0.65 0.05 0.00 -1.54 0.00 0.00 39.78 38.06 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 1.08 0.65 -0.00 6.41 3.58 -1.83 -3.29 116.42 123.01 2jyn h ASP 140 Ca 0.25 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2jyn h ASP 140 Cb 1.78 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.65 2jyn h ASP 140 CO 0.46 1.06 0.01 4.11 -2.88 0.00 0.00 179.24 182.00 2jyn h TRP 141 N 0.45 0.00 -0.30 0.28 5.08 -1.83 -1.90 115.95 117.73 2jyn h TRP 141 Ca 0.01 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.88 2jyn h TRP 141 Cb 1.08 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.23 2jyn h TRP 141 CO 0.05 0.00 -0.23 0.82 -1.28 0.00 0.00 178.44 177.80 2jyn h ILE 142 N 0.00 1.26 0.00 0.12 5.03 -1.94 -1.68 117.51 120.31 2jyn h ILE 142 Ca 0.00 -1.27 0.00 0.00 -0.12 0.00 0.00 64.86 63.48 2jyn h ILE 142 Cb 0.03 1.28 0.00 0.00 -3.03 0.00 0.00 36.82 35.10 2jyn h ILE 142 CO -0.00 0.41 0.00 -0.37 -0.68 0.00 0.00 178.15 177.51 2jyn h VAL 143 N 0.51 0.00 -0.49 1.67 -1.51 -1.46 -2.40 116.25 112.56 2jyn h VAL 143 Ca 0.08 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2jyn h VAL 143 Cb 0.67 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2jyn h VAL 143 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 2jyn n GLY 144 N 0.14 1.98 2.37 5.19 0.00 -0.68 -4.83 105.19 109.36 2jyn n GLY 144 Ca 0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 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 1.54 -1.02 0.00 1.61 1.13 -0.90 -5.07 117.38 114.66 2jyn n GLN 145 Ca 0.21 -1.25 0.00 0.00 -1.94 0.00 0.00 57.00 54.02 2jyn n GLN 145 Cb 0.61 -0.88 0.00 0.00 0.11 0.00 0.00 30.24 30.08 2jyn n GLN 145 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98