#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyn n SER 2 N 0.00 4.88 -0.06 3.17 3.41 -1.26 -4.65 113.62 119.11 2jyn n SER 2 Ca 0.00 -2.94 -0.08 0.00 -0.26 0.00 0.00 58.87 55.59 2jyn n SER 2 Cb 0.00 -1.66 -0.15 0.00 -0.26 0.00 0.00 64.21 62.14 2jyn n SER 2 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jyn n THR 3 N 5.41 1.37 -4.06 6.66 -1.04 -1.26 -5.00 114.28 116.37 2jyn n THR 3 Ca 0.45 -0.81 -0.09 0.00 -2.04 0.00 0.00 64.05 61.57 2jyn n THR 3 Cb 0.43 -0.65 -0.10 0.00 -1.82 0.00 0.00 70.33 68.19 2jyn n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2jyn s PHE 4 N -2.61 0.50 -1.28 -1.42 -0.12 -1.26 -5.09 117.98 106.69 2jyn s PHE 4 Ca -0.08 -0.84 -0.13 0.00 -0.05 0.00 0.00 56.93 55.83 2jyn s PHE 4 Cb 0.07 -0.34 0.13 0.00 -0.63 0.00 0.00 43.02 42.25 2jyn s PHE 4 CO 0.83 -0.27 1.72 0.09 -0.05 0.00 0.00 175.22 177.55 2jyn n ASN 5 N 0.67 4.95 0.00 1.98 4.13 -1.26 -4.90 115.26 120.82 2jyn n ASN 5 Ca -0.18 -2.98 0.00 0.00 1.68 0.00 0.00 54.58 53.10 2jyn n ASN 5 Cb 0.59 -1.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.23 2jyn n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jyn n ALA 6 N 5.80 0.00 0.00 5.41 0.00 -1.26 -4.55 120.51 125.92 2jyn n ALA 6 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2jyn n ALA 6 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 0.00 -0.01 0.00 0.00 -1.26 -5.07 120.64 114.30 2jyn n GLU 7 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 2jyn n GLU 7 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 2jyn n GLU 7 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2jyn h THR 8 N 0.17 1.01 -0.77 6.31 1.35 -2.04 -3.44 112.91 115.49 2jyn h THR 8 Ca 0.00 -0.05 -0.58 0.00 -0.55 0.00 0.00 66.41 65.24 2jyn h THR 8 Cb 0.00 0.85 -0.06 0.00 -1.73 0.00 0.00 68.15 67.22 2jyn h THR 8 CO 0.00 0.03 -0.34 0.00 -0.25 0.00 0.00 175.52 174.95 2jyn s ALA 9 N -6.18 4.28 0.13 6.62 0.00 -1.26 -5.17 121.76 120.19 2jyn s ALA 9 Ca -0.13 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.39 2jyn s ALA 9 Cb 0.08 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2jyn s ALA 9 CO 0.68 -0.37 0.19 0.16 0.00 0.00 0.00 175.76 176.42 2jyn s ASP 10 N -4.20 0.15 0.20 0.00 -4.77 -1.26 -5.07 116.67 101.71 2jyn s ASP 10 Ca 0.35 -0.92 -0.17 0.00 -3.30 0.00 0.00 52.55 48.52 2jyn s ASP 10 Cb -0.01 0.37 0.02 0.00 -1.09 0.00 0.00 42.92 42.21 2jyn s ASP 10 CO 0.21 -0.81 0.51 0.21 0.70 0.00 0.00 175.17 176.00 2jyn s ASN 11 N -2.96 -0.22 0.46 2.11 3.84 -1.26 -5.00 114.94 111.90 2jyn s ASN 11 Ca 0.16 -0.55 0.12 0.00 0.21 0.00 0.00 52.86 52.79 2jyn s ASN 11 Cb 0.05 0.58 1.04 0.00 -0.55 0.00 0.00 41.25 42.36 2jyn s ASN 11 CO -0.02 -1.06 2.07 -0.07 -2.79 0.00 0.00 177.10 175.23 2jyn h LEU 12 N 2.22 0.20 -0.45 3.21 3.38 -2.02 0.21 115.31 122.05 2jyn h LEU 12 Ca -0.28 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 2jyn h LEU 12 Cb 1.26 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2jyn h LEU 12 CO 0.37 0.19 -0.54 1.05 0.09 0.00 0.00 178.44 179.60 2jyn h GLU 13 N 0.23 0.66 -0.20 1.13 4.11 -1.98 -1.72 114.58 116.81 2jyn h GLU 13 Ca 0.06 -0.42 -0.15 0.00 0.07 0.00 0.00 59.36 58.93 2jyn h GLU 13 Cb 0.05 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jyn h GLU 13 CO -0.01 1.03 -0.48 0.22 0.07 0.00 0.00 179.01 179.84 2jyn h ASP 14 N 0.51 0.57 -0.08 3.06 3.58 -1.59 -1.64 116.42 120.84 2jyn h ASP 14 Ca 0.01 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 2jyn h ASP 14 Cb 1.11 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2jyn h ASP 14 CO 0.11 0.96 -0.12 0.40 -2.88 0.00 0.00 179.24 177.71 2jyn h ILE 15 N 0.42 1.39 0.00 2.25 1.08 -0.64 -2.32 117.51 119.69 2jyn h ILE 15 Ca 0.02 -1.37 -0.03 0.00 -0.39 0.00 0.00 64.86 63.09 2jyn h ILE 15 Cb 1.00 2.11 -0.00 0.00 -3.07 0.00 0.00 36.82 36.86 2jyn h ILE 15 CO 0.09 0.38 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.44 2jyn h GLU 16 N -0.24 0.00 0.39 2.37 5.08 -1.32 -0.21 114.58 120.66 2jyn h GLU 16 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2jyn h GLU 16 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jyn h GLU 16 CO 0.03 0.16 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.79 2jyn h LYS 17 N 0.00 -0.50 -0.00 2.33 3.64 -1.19 0.15 116.57 121.00 2jyn h LYS 17 Ca -0.00 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2jyn h LYS 17 Cb 0.53 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2jyn h LYS 17 CO 0.02 -0.20 -0.33 -0.56 -2.27 0.00 0.00 179.45 176.11 2jyn h GLN 18 N -0.98 0.00 -0.30 1.90 3.07 -1.35 -2.22 115.11 115.24 2jyn h GLN 18 Ca -0.05 -0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.59 2jyn h GLN 18 Cb 0.54 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 2jyn h GLN 18 CO 0.09 0.33 -0.17 0.35 0.09 0.00 0.00 178.83 179.52 2jyn h PHE 19 N 0.00 0.75 -0.42 0.06 3.57 -1.10 -2.90 116.94 116.90 2jyn h PHE 19 Ca -0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2jyn h PHE 19 Cb 0.59 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2jyn h PHE 19 CO 0.00 0.89 0.27 0.00 -2.23 0.00 0.00 178.31 177.24 2jyn h ALA 20 N 0.74 0.53 0.34 2.41 0.00 -0.35 -0.48 119.26 122.45 2jyn h ALA 20 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jyn h ALA 20 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2jyn h ALA 20 CO 0.05 -0.00 -0.16 -0.24 0.00 0.00 0.00 179.25 178.89 2jyn h VAL 21 N 0.57 0.66 0.00 0.00 3.04 -1.56 -2.47 116.25 116.48 2jyn h VAL 21 Ca 0.15 -0.48 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 2jyn h VAL 21 Cb -0.05 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 30.13 2jyn h VAL 21 CO -0.03 0.09 -0.08 -0.37 -1.01 0.00 0.00 177.57 176.17 2jyn h VAL 22 N -0.73 0.39 -0.02 1.51 -1.51 -1.39 0.04 116.25 114.54 2jyn h VAL 22 Ca -0.05 -0.45 -0.08 0.00 -1.23 0.00 0.00 66.70 64.89 2jyn h VAL 22 Cb 0.50 1.32 0.01 0.00 -2.13 0.00 0.00 31.29 30.99 2jyn h VAL 22 CO 0.08 0.08 -0.30 0.00 -1.23 0.00 0.00 177.57 176.20 2jyn h ALA 23 N 1.92 0.06 0.00 5.19 0.00 -1.07 -2.33 119.26 123.02 2jyn h ALA 23 Ca -0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2jyn h ALA 23 Cb 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jyn h ALA 23 CO 0.01 0.13 -0.54 -0.39 0.00 0.00 0.00 179.25 178.45 2jyn h VAL 24 N -0.38 1.16 0.18 0.00 -1.51 -1.01 -1.99 116.25 112.69 2jyn h VAL 24 Ca -0.03 -2.02 -0.01 0.00 -1.23 0.00 0.00 66.70 63.41 2jyn h VAL 24 Cb 1.02 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 2jyn h VAL 24 CO 0.06 0.53 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.51 2jyn h GLU 25 N 0.00 -0.23 -0.49 5.19 4.39 -1.07 -1.67 114.58 120.70 2jyn h GLU 25 Ca -0.01 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 2jyn h GLU 25 Cb 1.12 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 2jyn h GLU 25 CO 0.07 -0.04 0.05 0.37 -1.16 0.00 0.00 179.01 178.30 2jyn h GLN 26 N -0.38 0.79 -0.16 2.33 5.75 -1.36 0.19 115.11 122.26 2jyn h GLN 26 Ca -0.02 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 2jyn h GLN 26 Cb 0.29 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2jyn h GLN 26 CO 0.04 0.76 0.01 0.00 -2.65 0.00 0.00 178.83 176.98 2jyn h ALA 27 N 1.31 0.22 0.00 3.38 0.00 -1.34 -2.67 119.26 120.17 2jyn h ALA 27 Ca 0.15 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2jyn h ALA 27 Cb 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jyn h ALA 27 CO 0.01 -0.08 -0.53 1.05 0.00 0.00 0.00 179.25 179.70 2jyn h GLU 28 N 0.04 0.00 0.26 0.00 4.11 -1.13 -2.09 114.58 115.77 2jyn h GLU 28 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 2jyn h GLU 28 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jyn h GLU 28 CO 0.01 0.53 -0.20 1.15 0.07 0.00 0.00 179.01 180.57 2jyn h THR 29 N 0.00 0.57 -0.73 -1.06 2.02 -0.88 -0.61 112.91 112.22 2jyn h THR 29 Ca -0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2jyn h THR 29 Cb 1.15 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2jyn h THR 29 CO 0.07 0.00 0.20 1.88 0.37 0.00 0.00 175.52 178.04 2jyn h TYR 30 N -0.47 1.21 -0.27 3.16 0.05 -1.47 -1.51 116.97 117.68 2jyn h TYR 30 Ca -0.01 -0.13 0.03 0.00 0.05 0.00 0.00 58.73 58.66 2jyn h TYR 30 Cb 0.41 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 2jyn h TYR 30 CO -0.12 0.97 0.08 2.35 -1.05 0.00 0.00 178.16 180.38 2jyn h TRP 31 N 1.10 0.14 -0.29 4.88 2.91 -1.19 -0.54 115.95 122.96 2jyn h TRP 31 Ca 0.23 0.01 -0.15 0.00 1.13 0.00 0.00 58.89 60.12 2jyn h TRP 31 Cb 0.35 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.97 2jyn h TRP 31 CO 0.03 0.05 -0.42 0.87 -1.03 0.00 0.00 178.44 177.94 2jyn h LYS 32 N 0.19 0.71 -0.36 2.65 1.79 -0.93 -1.18 116.57 119.44 2jyn h LYS 32 Ca 0.12 -0.38 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2jyn h LYS 32 Cb 0.11 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2jyn h LYS 32 CO -0.14 1.00 0.22 -0.07 -1.08 0.00 0.00 179.45 179.38 2jyn h LEU 33 N 0.58 0.43 -0.17 2.94 3.38 -1.07 -2.36 115.31 119.04 2jyn h LEU 33 Ca 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jyn h LEU 33 Cb 0.97 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2jyn h LEU 33 CO 0.09 0.35 0.02 -0.07 0.09 0.00 0.00 178.44 178.92 2jyn h LEU 34 N 0.47 0.28 -2.09 1.67 3.38 -0.92 0.19 115.31 118.29 2jyn h LEU 34 Ca 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2jyn h LEU 34 Cb -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jyn h LEU 34 CO -0.02 0.48 0.00 0.71 0.09 0.00 0.00 178.44 179.70 2jyn h THR 35 N 0.07 0.00 0.00 0.22 1.35 -1.17 -3.31 112.91 110.06 2jyn h THR 35 Ca 0.05 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2jyn h THR 35 Cb 0.32 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2jyn h THR 35 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 2jyn n SER 36 N -2.88 0.00 -4.80 5.36 7.64 -0.89 -4.89 113.62 113.17 2jyn n SER 36 Ca -0.01 0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.51 2jyn n SER 36 Cb 0.15 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.21 5.13 -1.09 0.44 -7.23 0.65 -5.02 120.40 113.06 2jyn s VAL 37 Ca 0.00 0.78 -0.22 0.00 -1.81 0.00 0.00 61.98 60.74 2jyn s VAL 37 Cb 0.00 -3.70 0.06 0.00 0.56 0.00 0.00 36.38 33.29 2jyn s VAL 37 CO 0.00 0.50 1.52 -2.16 -0.31 0.00 0.00 175.10 174.65 2jyn s PRO 38 N -0.48 3.70 0.00 4.82 0.04 -1.26 -3.85 135.00 137.96 2jyn s PRO 38 Ca 0.23 -1.36 0.00 0.00 0.04 0.00 0.00 61.00 59.90 2jyn s PRO 38 Cb -0.16 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 28.98 2jyn s PRO 38 CO 0.11 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.34 2jyn n GLY 39 N 6.47 0.03 0.35 0.56 0.00 -1.26 -4.18 105.19 107.17 2jyn n GLY 39 Ca 0.37 0.42 0.09 0.00 0.00 0.00 0.00 46.02 46.90 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 0.84 0.38 1.61 0.87 -1.90 -1.05 113.55 114.30 2jyn h SER 40 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2jyn h SER 40 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2jyn h SER 40 CO 0.00 0.40 0.00 2.29 -0.53 0.00 0.00 176.83 178.99 2jyn n LYS 41 N -4.69 0.36 -2.97 2.24 0.00 -1.26 -4.58 118.16 107.25 2jyn n LYS 41 Ca 0.20 0.07 -0.43 0.00 -0.00 0.00 0.00 58.31 58.14 2jyn n LYS 41 Cb 0.42 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.90 2jyn n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jyn s LEU 42 N -2.51 4.47 0.16 -5.58 1.43 -0.40 -5.05 118.68 111.20 2jyn s LEU 42 Ca 0.23 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2jyn s LEU 42 Cb 0.15 -2.66 -0.07 0.00 0.03 0.00 0.00 46.19 43.64 2jyn s LEU 42 CO 0.34 -1.08 0.49 -0.13 0.23 0.00 0.00 176.35 176.19 2jyn s ARG 43 N 3.38 3.81 -0.25 1.70 3.00 -1.26 -5.03 118.95 124.30 2jyn s ARG 43 Ca 0.24 0.25 -0.11 0.00 0.00 0.00 0.00 55.73 56.11 2jyn s ARG 43 Cb -0.15 -2.83 -0.16 0.00 0.00 0.00 0.00 34.95 31.80 2jyn s ARG 43 CO 0.16 0.44 -0.16 1.28 0.00 0.00 0.00 175.30 177.02 2jyn n LEU 44 N 0.39 2.26 0.00 2.53 7.99 -1.26 -5.05 117.00 123.86 2jyn n LEU 44 Ca -0.03 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 2jyn n LEU 44 Cb 0.52 -0.90 0.00 0.00 -0.11 0.00 0.00 43.42 42.94 2jyn n LEU 44 CO 0.44 0.64 0.00 0.35 -1.51 0.00 0.00 177.39 177.31 2jyn n THR 45 N -3.97 0.00 0.43 -5.08 -2.24 -1.26 -5.03 114.28 97.14 2jyn n THR 45 Ca -0.47 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.42 2jyn n THR 45 Cb 0.89 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 2jyn n THR 45 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jyn n LYS 46 N 0.00 0.38 0.00 -0.78 5.02 -1.26 -4.51 118.16 117.01 2jyn n LYS 46 Ca 0.00 -0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.35 2jyn n LYS 46 Cb 0.00 -1.59 0.03 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.06 0.00 -0.05 2.13 3.72 -1.26 -4.54 117.46 115.40 2jyn n PHE 47 Ca 0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 2jyn n PHE 47 Cb 0.47 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.47 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 2.84 0.43 -0.48 4.37 3.04 -1.96 -1.67 116.42 122.99 2jyn h ASP 48 Ca 0.00 -0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 2jyn h ASP 48 Cb 0.75 -0.09 -0.02 0.00 -1.04 0.00 0.00 39.33 38.92 2jyn h ASP 48 CO 0.00 0.29 0.22 -0.78 -2.04 0.00 0.00 179.24 176.93 2jyn h ASP 49 N 0.50 0.63 1.15 4.15 3.58 -1.93 -2.43 116.42 122.07 2jyn h ASP 49 Ca 0.22 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 2jyn h ASP 49 Cb 0.25 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2jyn h ASP 49 CO -0.06 0.59 -0.37 1.05 -2.88 0.00 0.00 179.24 177.56 2jyn h GLU 50 N 0.63 0.00 -0.70 0.28 4.11 -1.66 -2.83 114.58 114.41 2jyn h GLU 50 Ca 0.16 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.52 2jyn h GLU 50 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2jyn h GLU 50 CO -0.02 0.37 0.16 0.82 0.07 0.00 0.00 179.01 180.42 2jyn h ILE 51 N 0.00 1.26 0.06 -1.06 2.04 -1.00 0.09 117.51 118.91 2jyn h ILE 51 Ca -0.00 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2jyn h ILE 51 Cb 1.05 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2jyn h ILE 51 CO 0.05 0.37 -0.09 0.22 0.00 0.00 0.00 178.15 178.70 2jyn h TYR 52 N 1.06 -0.23 0.73 1.37 3.20 -1.31 -2.36 116.97 119.42 2jyn h TYR 52 Ca 0.22 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 2jyn h TYR 52 Cb 0.38 0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.75 2jyn h TYR 52 CO 0.03 -0.14 -0.35 0.93 -1.64 0.00 0.00 178.16 176.98 2jyn h GLU 53 N -0.19 -0.95 -0.26 1.82 5.08 -1.32 -2.45 114.58 116.31 2jyn h GLU 53 Ca 0.01 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2jyn h GLU 53 Cb 0.20 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jyn h GLU 53 CO -0.05 -0.63 0.27 -0.91 -1.00 0.00 0.00 179.01 176.69 2jyn h ASN 54 N -1.19 0.00 0.01 1.42 2.35 -1.08 -0.56 115.58 116.53 2jyn h ASN 54 Ca -0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2jyn h ASN 54 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2jyn h ASN 54 CO 0.17 0.00 -0.00 0.15 -1.65 0.00 0.00 177.43 176.09 2jyn h PHE 55 N 0.00 -0.01 0.00 1.19 3.57 -1.33 -1.69 116.94 118.67 2jyn h PHE 55 Ca 0.12 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2jyn h PHE 55 Cb 0.66 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2jyn h PHE 55 CO 0.00 0.62 -0.11 0.00 -2.23 0.00 0.00 178.31 176.59 2jyn h MET 56 N -0.65 0.00 0.00 1.11 -0.00 -0.72 -0.28 114.93 114.39 2jyn h MET 56 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 2jyn h MET 56 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.22 2jyn h MET 56 CO 0.00 0.11 -0.48 0.93 -0.00 0.00 0.00 176.91 177.47 2jyn h GLU 57 N 0.00 0.00 0.00 -0.10 5.08 -1.24 -3.27 114.58 115.04 2jyn h GLU 57 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jyn h GLU 57 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jyn h GLU 57 CO 0.01 0.33 -0.34 0.00 -1.00 0.00 0.00 179.01 178.02 2jyn h ARG 58 N -1.00 0.00 -2.45 2.33 -0.00 -1.37 -3.35 114.38 108.54 2jyn h ARG 58 Ca -0.07 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.81 2jyn h ARG 58 Cb 0.61 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 30.18 2jyn h ARG 58 CO -0.04 0.25 -0.83 1.19 0.00 0.00 0.00 179.97 180.54 2jyn n PHE 59 N -3.13 1.13 1.35 3.04 3.01 -0.12 -4.97 117.46 117.76 2jyn n PHE 59 Ca 0.02 -3.78 0.08 0.00 1.01 0.00 0.00 57.45 54.78 2jyn n PHE 59 Cb 0.64 -0.25 0.48 0.00 -0.01 0.00 0.00 39.48 40.34 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 1.94 0.67 0.11 -1.08 -0.04 -1.23 -1.69 135.00 133.67 2jyn n PRO 60 Ca 0.25 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 2jyn n PRO 60 Cb 0.44 -1.38 0.37 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.26 0.00 0.54 4.11 -1.89 -3.12 114.58 114.48 2jyn h GLU 61 Ca 0.00 -0.06 -0.11 0.00 0.07 0.00 0.00 59.36 59.25 2jyn h GLU 61 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2jyn h GLU 61 CO 0.00 0.41 -0.53 -0.92 0.07 0.00 0.00 179.01 178.04 2jyn h TYR 62 N 0.24 0.00 -0.00 2.06 3.20 -1.63 -3.33 116.97 117.51 2jyn h TYR 62 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jyn h TYR 62 Cb 0.42 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2jyn h TYR 62 CO 0.01 0.53 0.06 1.57 -1.64 0.00 0.00 178.16 178.69 2jyn h LYS 63 N 0.00 0.00 -6.57 1.82 2.10 -1.68 -3.38 116.57 108.86 2jyn h LYS 63 Ca -0.01 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.06 2jyn h LYS 63 Cb 1.24 0.00 0.08 0.00 -0.90 0.00 0.00 32.23 32.65 2jyn h LYS 63 CO 0.07 0.00 0.64 -0.25 -2.00 0.00 0.00 179.45 177.91 2jyn n ASP 64 N -3.10 2.79 -0.18 7.07 8.00 -1.25 -4.91 116.55 124.97 2jyn n ASP 64 Ca -0.03 1.13 0.10 0.00 0.71 0.00 0.00 54.79 56.71 2jyn n ASP 64 Cb 0.12 -1.42 0.41 0.00 -0.02 0.00 0.00 41.12 40.21 2jyn n ASP 64 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jyn h VAL 65 N 3.15 0.92 -0.70 2.53 2.07 -1.95 -2.17 116.25 120.10 2jyn h VAL 65 Ca -0.45 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2jyn h VAL 65 Cb 1.27 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2jyn h VAL 65 CO 0.78 0.11 0.44 -0.33 0.02 0.00 0.00 177.57 178.59 2jyn h GLU 66 N 0.61 0.93 0.00 1.57 4.39 -1.91 -1.35 114.58 118.83 2jyn h GLU 66 Ca 0.34 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.83 2jyn h GLU 66 Cb 0.51 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2jyn h GLU 66 CO -0.12 0.63 -0.68 0.00 -1.16 0.00 0.00 179.01 177.68 2jyn h ARG 67 N 0.95 0.00 -0.15 2.33 2.47 -1.52 -1.69 114.38 116.77 2jyn h ARG 67 Ca 0.25 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.75 2jyn h ARG 67 Cb -0.08 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2jyn h ARG 67 CO -0.05 0.68 -0.76 0.28 0.56 0.00 0.00 179.97 180.68 2jyn h VAL 68 N 0.00 1.28 0.12 2.04 2.07 -1.23 -3.35 116.25 117.18 2jyn h VAL 68 Ca -0.01 -1.96 -0.21 0.00 0.82 0.00 0.00 66.70 65.34 2jyn h VAL 68 Cb 1.33 2.00 0.01 0.00 -1.52 0.00 0.00 31.29 33.11 2jyn h VAL 68 CO 0.09 0.62 -1.02 0.07 0.02 0.00 0.00 177.57 177.35 2jyn h LYS 69 N 0.51 0.26 -4.04 1.57 2.10 -1.31 -3.40 116.57 112.26 2jyn h LYS 69 Ca -0.05 -0.44 -0.13 0.00 -2.00 0.00 0.00 60.65 58.02 2jyn h LYS 69 Cb 1.39 0.16 -0.12 0.00 -0.90 0.00 0.00 32.23 32.77 2jyn h LYS 69 CO 0.16 1.21 -0.34 -1.59 -2.00 0.00 0.00 179.45 176.89 2jyn s LYS 70 N -2.44 1.36 0.36 0.07 0.00 -0.64 -0.28 119.74 118.18 2jyn s LYS 70 Ca -0.17 -1.39 -0.08 0.00 0.00 0.00 0.00 55.97 54.34 2jyn s LYS 70 Cb 0.02 0.38 0.03 0.00 0.00 0.00 0.00 37.83 38.27 2jyn s LYS 70 CO 0.79 -0.52 0.62 1.97 0.00 0.00 0.00 175.35 178.22 2jyn n PHE 71 N -0.32 -1.88 -4.40 1.78 -1.74 -0.51 -3.95 117.46 106.44 2jyn n PHE 71 Ca -0.01 -2.05 -0.23 0.00 -0.56 0.00 0.00 57.45 54.59 2jyn n PHE 71 Cb 0.64 0.72 -0.11 0.00 1.52 0.00 0.00 39.48 42.25 2jyn n PHE 71 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2jyn s THR 72 N -2.47 2.14 0.24 1.97 2.01 -1.26 -4.68 115.64 113.58 2jyn s THR 72 Ca 0.22 -2.13 0.06 0.00 0.31 0.00 0.00 61.69 60.15 2jyn s THR 72 Cb -0.03 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 2jyn s THR 72 CO 0.16 -0.32 1.55 1.05 -0.69 0.00 0.00 174.62 176.37 2jyn h GLU 73 N 2.87 0.15 -0.74 4.92 -0.00 -1.97 -3.30 114.58 116.52 2jyn h GLU 73 Ca -0.42 -0.12 0.00 0.00 -0.00 0.00 0.00 59.36 58.82 2jyn h GLU 73 Cb 1.22 0.02 -0.04 0.00 -0.00 0.00 0.00 28.75 29.96 2jyn h GLU 73 CO 0.54 0.75 0.47 0.93 -0.00 0.00 0.00 179.01 181.69 2jyn h GLU 74 N 0.11 1.00 0.00 1.06 5.08 -1.99 -2.25 114.58 117.58 2jyn h GLU 74 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2jyn h GLU 74 Cb 1.16 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2jyn h GLU 74 CO 0.09 0.69 0.00 -0.85 -1.00 0.00 0.00 179.01 177.94 2jyn n GLU 75 N -4.53 0.25 -0.06 2.33 0.28 -1.24 -2.48 120.64 115.19 2jyn n GLU 75 Ca 0.07 0.07 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 2jyn n GLU 75 Cb 0.04 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.27 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 -1.34 1.28 0.03 -1.84 4.77 -0.87 -4.38 117.00 114.64 2jyn n LEU 76 Ca 0.10 0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 2jyn n LEU 76 Cb 0.22 -0.15 0.51 0.00 -2.33 0.00 0.00 43.42 41.67 2jyn n LEU 76 CO 0.19 0.60 0.90 0.29 -1.33 0.00 0.00 177.39 178.04 2jyn n LYS 77 N -3.07 0.07 -2.43 3.23 5.02 -1.03 -3.26 118.16 116.68 2jyn n LYS 77 Ca -0.29 0.12 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 2jyn n LYS 77 Cb 1.07 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 34.46 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 -3.04 3.48 0.22 -0.18 -1.32 -1.18 -4.87 115.64 108.74 2jyn s THR 78 Ca 0.11 1.15 -0.11 0.00 -1.21 0.00 0.00 61.69 61.64 2jyn s THR 78 Cb 0.15 -3.60 0.20 0.00 -1.51 0.00 0.00 72.50 67.74 2jyn s THR 78 CO 0.49 0.02 1.66 0.50 -2.21 0.00 0.00 174.62 175.09 2jyn h LYS 79 N 2.44 0.11 0.04 7.08 3.64 -1.95 -1.22 116.57 126.72 2jyn h LYS 79 Ca -0.49 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2jyn h LYS 79 Cb 1.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2jyn h LYS 79 CO 0.62 0.08 -0.11 0.93 -2.27 0.00 0.00 179.45 178.69 2jyn h GLU 80 N 0.12 -0.20 -0.73 1.90 5.08 -1.94 -2.99 114.58 115.82 2jyn h GLU 80 Ca 0.33 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2jyn h GLU 80 Cb 0.53 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2jyn h GLU 80 CO -0.54 -0.13 0.28 0.00 -1.00 0.00 0.00 179.01 177.62 2jyn h ALA 81 N 0.72 1.12 -0.42 3.43 0.00 -1.50 0.38 119.26 123.00 2jyn h ALA 81 Ca 0.03 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2jyn h ALA 81 Cb 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2jyn h ALA 81 CO -0.08 0.62 0.11 0.87 0.00 0.00 0.00 179.25 180.77 2jyn h LYS 82 N 1.06 0.24 -0.01 0.00 1.57 -1.36 -0.91 116.57 117.15 2jyn h LYS 82 Ca 0.24 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2jyn h LYS 82 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2jyn h LYS 82 CO -0.02 0.16 -0.63 0.93 -0.57 0.00 0.00 179.45 179.32 2jyn h GLU 83 N 0.25 0.04 -0.59 3.15 5.08 -1.26 -2.65 114.58 118.59 2jyn h GLU 83 Ca 0.20 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2jyn h GLU 83 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2jyn h GLU 83 CO -0.24 0.66 0.11 0.00 -1.00 0.00 0.00 179.01 178.54 2jyn h ARG 84 N 0.03 0.97 -0.05 2.33 3.08 -0.19 -0.31 114.38 120.23 2jyn h ARG 84 Ca -0.01 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 2jyn h ARG 84 Cb 1.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2jyn h ARG 84 CO 0.08 0.91 -0.36 -1.49 -1.07 0.00 0.00 179.97 178.04 2jyn h TRP 85 N 0.87 0.12 -0.11 3.04 -0.00 -1.12 0.84 115.95 119.59 2jyn h TRP 85 Ca 0.18 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 59.01 2jyn h TRP 85 Cb 0.39 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.52 2jyn h TRP 85 CO 0.03 0.46 -0.06 -0.09 -0.00 0.00 0.00 178.44 178.78 2jyn h ARG 86 N 0.09 0.22 0.00 0.49 2.43 -1.10 -1.32 114.38 115.19 2jyn h ARG 86 Ca 0.01 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2jyn h ARG 86 Cb 0.68 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2jyn h ARG 86 CO 0.05 0.58 -0.24 0.87 -1.51 0.00 0.00 179.97 179.72 2jyn h LYS 87 N -0.14 0.00 -0.18 0.20 6.56 -0.88 0.07 116.57 122.20 2jyn h LYS 87 Ca 0.02 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.41 2jyn h LYS 87 Cb 0.52 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.18 2jyn h LYS 87 CO 0.02 0.24 -0.66 0.35 -2.06 0.00 0.00 179.45 177.34 2jyn h PHE 88 N 0.00 1.01 -0.42 -1.35 3.57 -0.81 -3.11 116.94 115.84 2jyn h PHE 88 Ca -0.00 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 2jyn h PHE 88 Cb 0.55 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2jyn h PHE 88 CO 0.00 1.24 0.21 0.35 -2.23 0.00 0.00 178.31 177.89 2jyn h PHE 89 N 0.49 0.59 0.00 0.41 3.57 -0.77 -3.08 116.94 118.16 2jyn h PHE 89 Ca -0.03 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2jyn h PHE 89 Cb 1.29 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2jyn h PHE 89 CO 0.09 0.47 0.00 1.79 -2.23 0.00 0.00 178.31 178.43 2jyn h THR 90 N 0.54 0.00 -0.04 4.41 1.35 -0.96 0.41 112.91 118.61 2jyn h THR 90 Ca 0.14 -0.11 -0.05 0.00 -0.55 0.00 0.00 66.41 65.85 2jyn h THR 90 Cb 0.09 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 2jyn h THR 90 CO -0.02 0.00 -0.16 0.40 -0.25 0.00 0.00 175.52 175.49 2jyn h ILE 91 N 0.00 1.47 -0.61 6.82 2.04 -1.47 -3.39 117.51 122.37 2jyn h ILE 91 Ca 0.00 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.24 2jyn h ILE 91 Cb 0.14 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2jyn h ILE 91 CO 0.00 0.44 0.00 0.49 0.00 0.00 0.00 178.15 179.08 2jyn n PHE 92 N -4.59 0.82 0.26 1.37 3.72 0.43 -4.36 117.46 115.10 2jyn n PHE 92 Ca -0.08 -0.48 0.10 0.00 -0.05 0.00 0.00 57.45 56.94 2jyn n PHE 92 Cb 0.41 -0.01 0.69 0.00 -0.94 0.00 0.00 39.48 39.63 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 3.74 0.00 -0.00 -1.08 4.11 -0.54 0.16 114.58 120.97 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 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2jyn h GLU 93 CO 0.00 0.10 -0.19 1.63 0.07 0.00 0.00 179.01 180.62 2jyn n LYS 94 N -4.01 0.18 0.09 1.06 4.76 -1.26 -4.55 118.16 114.43 2jyn n LYS 94 Ca -0.02 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2jyn n LYS 94 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.36 0.00 -2.65 1.97 0.00 -0.99 -4.98 118.16 110.15 2jyn n LYS 95 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.98 2jyn n LYS 95 Cb 0.32 -0.18 -0.03 0.00 -0.00 0.00 0.00 35.03 35.14 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 -2.00 4.04 0.18 0.58 -1.09 0.52 -4.80 121.20 118.63 2jyn s ILE 96 Ca 0.00 -0.59 0.03 0.00 -2.23 0.00 0.00 60.65 57.87 2jyn s ILE 96 Cb 0.00 -4.95 -0.13 0.00 -1.58 0.00 0.00 42.46 35.80 2jyn s ILE 96 CO 0.00 -1.81 1.41 -0.33 -1.23 0.00 0.00 174.94 172.98 2jyn h GLU 97 N 9.67 0.18 -0.55 2.79 5.08 -1.83 -3.32 114.58 126.60 2jyn h GLU 97 Ca 0.04 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2jyn h GLU 97 Cb 1.03 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2jyn h GLU 97 CO 1.32 0.91 0.00 -0.25 -1.00 0.00 0.00 179.01 179.99 2jyn n ASP 98 N -3.68 0.96 0.26 1.42 9.92 -1.26 -4.41 116.55 119.76 2jyn n ASP 98 Ca -0.03 -2.05 0.08 0.00 -0.53 0.00 0.00 54.79 52.26 2jyn n ASP 98 Cb 0.78 -0.30 0.64 0.00 -0.64 0.00 0.00 41.12 41.60 2jyn n ASP 98 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2jyn h TYR 99 N 0.41 0.00 -0.70 1.24 -0.00 -1.93 -1.76 116.97 114.22 2jyn h TYR 99 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.73 58.23 2jyn h TYR 99 Cb 0.39 0.00 -0.34 0.00 -0.00 0.00 0.00 36.73 36.78 2jyn h TYR 99 CO 0.08 0.00 -0.42 -1.71 -0.00 0.00 0.00 178.16 176.11 2jyn n ASN 100 N -4.53 4.95 0.08 0.10 5.15 -1.26 -0.05 115.26 119.69 2jyn n ASN 100 Ca -0.03 -3.77 -0.02 0.00 -0.60 0.00 0.00 54.58 50.15 2jyn n ASN 100 Cb 0.10 -0.50 0.22 0.00 -0.53 0.00 0.00 39.78 39.07 2jyn n ASN 100 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2jyn h PHE 101 N 1.94 0.35 -1.54 1.20 3.57 -1.65 -3.47 116.94 117.34 2jyn h PHE 101 Ca 0.37 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2jyn h PHE 101 Cb 1.39 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2jyn h PHE 101 CO 0.97 0.64 0.00 0.41 -2.23 0.00 0.00 178.31 178.10 2jyn n GLY 102 N -0.22 -2.73 2.92 2.40 0.00 -1.26 -4.94 105.19 101.35 2jyn n GLY 102 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 0.09 -0.44 2.61 2.01 -0.50 -4.68 115.64 114.73 2jyn s THR 103 Ca 0.00 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 2jyn s THR 103 Cb 0.00 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.40 2jyn s THR 103 CO 0.00 -0.16 1.10 -0.22 -0.69 0.00 0.00 174.62 174.65 2jyn s LEU 104 N -0.53 3.73 0.07 4.42 0.20 -1.26 -2.34 118.68 122.96 2jyn s LEU 104 Ca -0.05 0.56 0.04 0.00 0.69 0.00 0.00 54.13 55.37 2jyn s LEU 104 Cb -0.04 -3.51 -0.04 0.00 -0.43 0.00 0.00 46.19 42.17 2jyn s LEU 104 CO -0.00 -1.15 0.01 -0.22 -0.29 0.00 0.00 176.35 174.69 2jyn s LEU 105 N 4.22 3.50 -0.13 -0.68 2.96 -0.97 -4.76 118.68 122.82 2jyn s LEU 105 Ca 0.46 -0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 2jyn s LEU 105 Cb -0.08 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2jyn s LEU 105 CO 0.28 0.20 0.34 0.00 -1.32 0.00 0.00 176.35 175.85 2jyn s ARG 106 N -2.12 4.19 0.00 1.98 3.03 -1.26 -1.15 118.95 123.62 2jyn s ARG 106 Ca 0.24 0.21 0.27 0.00 2.03 0.00 0.00 55.73 58.48 2jyn s ARG 106 Cb -0.12 -3.39 1.59 0.00 -1.03 0.00 0.00 34.95 32.00 2jyn s ARG 106 CO 0.16 0.31 1.97 0.25 -1.13 0.00 0.00 175.30 176.86 2jyn n THR 107 N 3.29 0.03 -3.87 4.99 -2.24 0.02 -4.77 114.28 111.72 2jyn n THR 107 Ca -0.11 0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2jyn n THR 107 Cb 0.52 -0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.09 0.12 0.08 3.42 2.15 -1.26 -1.43 116.67 117.66 2jyn s ASP 108 Ca 0.39 -0.58 -0.19 0.00 0.43 0.00 0.00 52.55 52.60 2jyn s ASP 108 Cb 0.19 0.31 -0.09 0.00 -0.30 0.00 0.00 42.92 43.03 2jyn s ASP 108 CO 0.33 -0.65 1.51 0.00 -0.17 0.00 0.00 175.17 176.19 2jyn h ALA 109 N 3.06 0.32 -0.29 3.66 0.00 -0.95 -2.99 119.26 122.08 2jyn h ALA 109 Ca -0.33 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2jyn h ALA 109 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jyn h ALA 109 CO 0.54 0.06 0.00 0.45 0.00 0.00 0.00 179.25 180.30 2jyn n SER 110 N -4.63 1.64 -4.74 0.00 2.88 -1.26 -4.89 113.62 102.62 2jyn n SER 110 Ca -0.04 -2.03 -0.41 0.00 -1.33 0.00 0.00 58.87 55.07 2jyn n SER 110 Cb 0.25 -0.22 -0.04 0.00 -0.75 0.00 0.00 64.21 63.45 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jyn s ALA 111 N -1.62 3.35 0.00 -1.46 0.00 -1.13 -5.03 121.76 115.87 2jyn s ALA 111 Ca 0.20 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2jyn s ALA 111 Cb 0.11 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2jyn s ALA 111 CO 0.13 -0.09 0.00 -0.85 0.00 0.00 0.00 175.76 174.95 2jyn n GLU 112 N 2.09 0.00 -0.15 0.00 -0.00 -1.26 -4.93 120.64 116.39 2jyn n GLU 112 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 2jyn n GLU 112 Cb 0.47 -0.12 0.00 0.00 -0.00 0.00 0.00 31.44 31.79 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 -0.89 0.00 -1.72 -1.84 0.18 -1.26 -4.95 117.16 106.67 2jyn n TYR 113 Ca 0.00 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.46 2jyn n TYR 113 Cb 0.00 0.17 0.04 0.00 -0.38 0.00 0.00 39.34 39.17 2jyn n TYR 113 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2jyn s GLY 114 N -0.02 1.90 0.36 -7.48 0.00 -1.26 -4.83 107.32 96.00 2jyn s GLY 114 Ca 0.00 0.29 0.07 0.00 0.00 0.00 0.00 44.72 45.08 2jyn s GLY 114 CO 0.00 0.61 1.93 1.46 0.00 0.00 0.00 173.10 177.10 2jyn h GLN 115 N -0.25 0.72 0.01 2.90 1.08 -2.02 0.19 115.11 117.74 2jyn h GLN 115 Ca -0.45 -0.04 -0.28 0.00 -1.45 0.00 0.00 58.65 56.42 2jyn h GLN 115 Cb 1.22 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.45 2jyn h GLN 115 CO 0.56 0.48 -1.58 0.74 -0.95 0.00 0.00 178.83 178.07 2jyn h PHE 116 N 0.74 0.04 -0.00 2.96 0.04 -2.03 -3.35 116.94 115.34 2jyn h PHE 116 Ca 0.36 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.10 2jyn h PHE 116 Cb 0.41 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2jyn h PHE 116 CO -0.00 1.05 -0.12 0.25 -0.60 0.00 0.00 178.31 178.89 2jyn n THR 117 N -3.14 0.00 -4.03 -1.55 -2.24 -0.84 -4.82 114.28 97.65 2jyn n THR 117 Ca -0.14 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2jyn n THR 117 Cb 1.03 -0.26 -0.11 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 -2.81 0.38 0.01 4.28 -4.23 -0.00 -0.80 115.64 112.47 2jyn s THR 118 Ca 0.19 -1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 59.66 2jyn s THR 118 Cb 0.19 -0.51 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 2jyn s THR 118 CO 0.54 -0.44 -0.01 0.00 -0.54 0.00 0.00 174.62 174.17 2jyn s PHE 120 N -0.80 2.89 0.54 0.00 0.08 -1.26 -2.28 117.98 117.15 2jyn s PHE 120 Ca -0.09 0.88 0.02 0.00 0.12 0.00 0.00 56.93 57.87 2jyn s PHE 120 Cb -0.05 -4.15 0.02 0.00 -0.57 0.00 0.00 43.02 38.27 2jyn s PHE 120 CO -0.00 -1.18 0.19 1.33 -0.10 0.00 0.00 175.22 175.46 2jyn n VAL 121 N 6.49 0.00 -2.40 -0.44 0.24 -0.99 -4.98 118.33 116.25 2jyn n VAL 121 Ca 0.12 -2.35 -0.27 0.00 -2.04 0.00 0.00 64.34 59.80 2jyn n VAL 121 Cb 0.48 0.26 0.02 0.00 -1.47 0.00 0.00 33.84 33.13 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 -2.83 4.18 0.42 3.34 -7.23 -1.26 -1.41 120.40 115.61 2jyn s VAL 122 Ca 0.14 0.18 0.10 0.00 -1.81 0.00 0.00 61.98 60.60 2jyn s VAL 122 Cb -0.01 -3.64 0.21 0.00 0.56 0.00 0.00 36.38 33.50 2jyn s VAL 122 CO 0.09 -0.67 2.00 -0.09 -0.31 0.00 0.00 175.10 176.12 2jyn h ARG 123 N -0.08 0.26 -0.49 4.82 1.12 -0.70 -2.12 114.38 117.20 2jyn h ARG 123 Ca -0.46 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.35 2jyn h ARG 123 Cb 1.23 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.12 2jyn h ARG 123 CO 0.61 0.29 0.22 1.25 -3.11 0.00 0.00 179.97 179.24 2jyn h LEU 124 N 0.26 0.66 -0.38 3.80 7.12 -1.65 0.59 115.31 125.70 2jyn h LEU 124 Ca 0.06 -0.14 -0.05 0.00 0.13 0.00 0.00 57.88 57.88 2jyn h LEU 124 Cb 0.19 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 2jyn h LEU 124 CO 0.00 0.62 0.06 1.56 -0.13 0.00 0.00 178.44 180.55 2jyn h GLN 125 N 0.65 0.64 -0.63 1.25 4.20 -1.75 -1.99 115.11 117.49 2jyn h GLN 125 Ca 0.17 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2jyn h GLN 125 Cb 0.15 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2jyn h GLN 125 CO -0.02 0.70 0.41 0.35 -0.67 0.00 0.00 178.83 179.60 2jyn h PHE 126 N 0.48 0.78 0.46 2.96 3.57 -1.15 -2.79 116.94 121.25 2jyn h PHE 126 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2jyn h PHE 126 Cb 0.38 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2jyn h PHE 126 CO 0.03 0.48 -0.41 1.88 -2.23 0.00 0.00 178.31 178.06 2jyn h TYR 127 N 0.83 -1.11 -0.47 0.41 0.05 -0.76 -1.83 116.97 114.09 2jyn h TYR 127 Ca 0.24 0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.11 2jyn h TYR 127 Cb -0.07 0.43 -0.10 0.00 1.01 0.00 0.00 36.73 38.00 2jyn h TYR 127 CO -0.03 -0.57 -0.22 0.00 -1.05 0.00 0.00 178.16 176.28 2jyn h ALA 128 N -0.53 0.11 0.00 3.88 0.00 -1.12 0.40 119.26 121.99 2jyn h ALA 128 Ca -0.04 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2jyn h ALA 128 Cb 0.76 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2jyn h ALA 128 CO -0.04 -0.57 -0.44 0.74 0.00 0.00 0.00 179.25 178.94 2jyn h PHE 129 N -0.12 0.00 -0.05 0.00 0.04 -1.55 -2.82 116.94 112.44 2jyn h PHE 129 Ca 0.22 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.86 2jyn h PHE 129 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.62 2jyn h PHE 129 CO -0.49 0.44 -0.47 1.49 -0.60 0.00 0.00 178.31 178.69 2jyn h GLU 130 N 0.00 0.41 -0.56 1.51 4.81 -0.13 -1.74 114.58 118.87 2jyn h GLU 130 Ca -0.00 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 2jyn h GLU 130 Cb 1.11 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2jyn h GLU 130 CO 0.06 1.02 0.01 0.82 -0.73 0.00 0.00 179.01 180.19 2jyn h ILE 131 N -0.08 1.26 0.97 2.32 2.04 -1.09 -1.54 117.51 121.39 2jyn h ILE 131 Ca -0.04 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.68 2jyn h ILE 131 Cb 1.15 0.81 0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2jyn h ILE 131 CO 0.09 0.39 -0.46 0.00 0.00 0.00 0.00 178.15 178.17 2jyn h ALA 132 N 1.11 -1.30 0.00 1.87 0.00 -1.52 -1.18 119.26 118.25 2jyn h ALA 132 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jyn h ALA 132 Cb 0.51 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jyn h ALA 132 CO 0.02 -1.20 -0.03 0.07 0.00 0.00 0.00 179.25 178.11 2jyn h ARG 133 N -1.35 0.00 0.01 0.00 0.11 -1.30 -1.63 114.38 110.22 2jyn h ARG 133 Ca -0.13 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.95 2jyn h ARG 133 Cb 0.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.07 2jyn h ARG 133 CO 0.22 0.03 -0.00 -0.97 0.10 0.00 0.00 179.97 179.34 2jyn h ASN 134 N 0.00 -0.01 -0.36 0.08 -0.73 -1.17 -1.35 115.58 112.04 2jyn h ASN 134 Ca -0.00 -0.67 -0.14 0.00 1.87 0.00 0.00 56.30 57.36 2jyn h ASN 134 Cb 0.12 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 2jyn h ASN 134 CO 0.00 0.81 -0.31 0.11 -0.37 0.00 0.00 177.43 177.68 2jyn h LYS 135 N -0.98 0.89 0.00 6.67 1.57 -1.07 -2.38 116.57 121.27 2jyn h LYS 135 Ca -0.00 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 58.25 2jyn h LYS 135 Cb 0.68 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2jyn h LYS 135 CO 0.00 1.08 -0.47 0.45 -0.57 0.00 0.00 179.45 179.93 2jyn h HIS 136 N 0.75 0.00 -4.88 -1.35 3.86 -1.48 -3.49 115.15 108.57 2jyn h HIS 136 Ca 0.08 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.07 2jyn h HIS 136 Cb 0.88 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.50 2jyn h HIS 136 CO 0.05 0.47 -0.65 0.41 0.86 0.00 0.00 177.93 179.08 2jyn n GLY 137 N 0.50 -0.52 0.03 2.45 0.00 -0.65 -4.97 105.19 102.02 2jyn n GLY 137 Ca 0.00 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.05 0.78 -2.32 0.99 4.77 -0.60 -4.41 117.00 113.16 2jyn n LEU 138 Ca -0.11 -0.24 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 2jyn n LEU 138 Cb 0.61 -0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.65 2jyn n LEU 138 CO 0.46 0.19 1.43 -0.46 -1.33 0.00 0.00 177.39 177.68 2jyn n ASN 139 N -1.41 7.33 0.28 -1.43 2.04 -1.26 -4.63 115.26 116.19 2jyn n ASN 139 Ca 0.05 -3.77 0.14 0.00 -0.44 0.00 0.00 54.58 50.56 2jyn n ASN 139 Cb 0.34 -0.96 0.84 0.00 -2.53 0.00 0.00 39.78 37.46 2jyn n ASN 139 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 2jyn h ASP 140 N 1.91 0.00 0.56 0.53 3.32 -1.94 -1.66 116.42 119.15 2jyn h ASP 140 Ca 0.61 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.53 2jyn h ASP 140 Cb 1.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2jyn h ASP 140 CO 1.55 0.06 -0.60 4.11 -1.72 0.00 0.00 179.24 182.64 2jyn h TRP 141 N 0.00 0.05 0.01 4.55 5.08 -1.89 -0.88 115.95 122.87 2jyn h TRP 141 Ca -0.00 -0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.94 2jyn h TRP 141 Cb 0.16 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.31 2jyn h TRP 141 CO 0.00 0.62 -0.06 0.82 -1.28 0.00 0.00 178.44 178.55 2jyn h ILE 142 N 0.03 1.73 0.00 0.12 2.04 -1.69 -1.56 117.51 118.17 2jyn h ILE 142 Ca -0.01 -2.21 -0.03 0.00 1.00 0.00 0.00 64.86 63.62 2jyn h ILE 142 Cb 1.06 3.22 -0.00 0.00 -0.74 0.00 0.00 36.82 40.36 2jyn h ILE 142 CO 0.08 0.58 -0.14 -0.37 0.00 0.00 0.00 178.15 178.30 2jyn h VAL 143 N -0.88 0.64 -0.65 1.67 -1.51 -1.57 -2.35 116.25 111.60 2jyn h VAL 143 Ca -0.01 -0.61 -0.44 0.00 -1.23 0.00 0.00 66.70 64.41 2jyn h VAL 143 Cb 0.98 1.39 -0.29 0.00 -2.13 0.00 0.00 31.29 31.24 2jyn h VAL 143 CO 0.01 0.14 -0.24 0.61 -1.23 0.00 0.00 177.57 176.86 2jyn n GLY 144 N -0.65 5.80 3.75 5.19 0.00 -0.34 -4.59 105.19 114.37 2jyn n GLY 144 Ca -0.02 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.53 3.26 0.00 1.61 -1.52 -0.59 -4.85 119.66 114.05 2jyn s GLN 145 Ca 0.51 2.20 0.15 0.00 -1.95 0.00 0.00 55.36 56.27 2jyn s GLN 145 Cb 0.43 -2.31 0.88 0.00 -0.22 0.00 0.00 33.01 31.78 2jyn s GLN 145 CO 0.01 -1.08 1.30 0.36 -0.25 0.00 0.00 175.29 175.63