#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 -1.53 -3.63 6.12 2.88 -1.26 -4.85 113.62 111.35 2jyn n SER 2 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2jyn n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2jyn n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jyn s THR 3 N 0.00 0.00 0.05 2.46 -1.32 -1.26 -5.01 115.64 110.56 2jyn s THR 3 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2jyn s THR 3 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2jyn s THR 3 CO 0.00 0.00 0.00 -0.36 -2.21 0.00 0.00 174.62 172.05 2jyn s PHE 4 N 0.41 0.40 -0.82 9.09 0.08 -1.26 -5.11 117.98 120.77 2jyn s PHE 4 Ca 0.00 -0.86 -0.24 0.00 0.12 0.00 0.00 56.93 55.95 2jyn s PHE 4 Cb -0.05 -0.30 0.06 0.00 -0.57 0.00 0.00 43.02 42.16 2jyn s PHE 4 CO -0.03 -0.35 1.24 1.21 -0.10 0.00 0.00 175.22 177.19 2jyn s ASN 5 N -2.53 6.30 -1.10 1.36 3.84 -1.26 -4.92 114.94 116.64 2jyn s ASN 5 Ca 0.01 -1.01 -0.22 0.00 0.21 0.00 0.00 52.86 51.86 2jyn s ASN 5 Cb 0.03 -2.51 0.04 0.00 -0.55 0.00 0.00 41.25 38.25 2jyn s ASN 5 CO -0.08 -1.58 1.63 0.00 -2.79 0.00 0.00 177.10 174.28 2jyn s ALA 6 N 4.84 2.72 -0.05 1.71 0.00 -1.26 -4.95 121.76 124.76 2jyn s ALA 6 Ca 0.35 -2.37 0.04 0.00 0.00 0.00 0.00 51.96 49.98 2jyn s ALA 6 Cb -0.07 -4.58 -0.03 0.00 0.00 0.00 0.00 23.12 18.44 2jyn s ALA 6 CO 0.05 -3.77 -0.15 -1.21 0.00 0.00 0.00 175.76 170.68 2jyn s GLU 7 N 5.08 2.51 -0.24 0.00 2.02 -1.26 -5.10 118.70 121.72 2jyn s GLU 7 Ca 0.53 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 54.52 2jyn s GLU 7 Cb 0.00 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 2jyn s GLU 7 CO -0.02 0.61 1.43 0.95 0.02 0.00 0.00 175.26 178.25 2jyn s THR 8 N -0.69 3.97 0.00 3.63 -4.23 -1.26 -4.98 115.64 112.08 2jyn s THR 8 Ca 0.11 1.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 2jyn s THR 8 Cb -0.11 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.80 2jyn s THR 8 CO 0.01 -0.34 0.00 0.00 -0.54 0.00 0.00 174.62 173.75 2jyn n ALA 9 N 7.75 0.00 -2.73 3.99 0.00 -1.26 -5.18 120.51 123.07 2jyn n ALA 9 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 2jyn n ALA 9 Cb 0.46 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.44 1.56 -1.70 0.00 5.75 -1.26 -4.89 116.55 114.57 2jyn n ASP 10 Ca 0.00 -2.25 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 2jyn n ASP 10 Cb 0.00 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 2jyn n ASP 10 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jyn n ASN 11 N -2.74 -6.42 0.26 -1.12 3.02 -1.26 -4.59 115.26 102.41 2jyn n ASN 11 Ca 0.16 1.03 0.12 0.00 -0.03 0.00 0.00 54.58 55.86 2jyn n ASN 11 Cb 0.59 -3.49 0.72 0.00 -0.61 0.00 0.00 39.78 36.99 2jyn n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2jyn h LEU 12 N 2.55 0.00 -0.90 3.41 3.38 -1.99 -1.31 115.31 120.45 2jyn h LEU 12 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2jyn h LEU 12 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jyn h LEU 12 CO 0.00 0.10 -0.38 1.05 0.09 0.00 0.00 178.44 179.30 2jyn h GLU 13 N 0.00 0.34 -0.34 1.13 4.11 -1.98 0.05 114.58 117.89 2jyn h GLU 13 Ca -0.00 -0.16 -0.12 0.00 0.07 0.00 0.00 59.36 59.16 2jyn h GLU 13 Cb 0.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jyn h GLU 13 CO 0.01 0.67 -0.27 0.22 0.07 0.00 0.00 179.01 179.72 2jyn h ASP 14 N 0.29 0.70 -0.22 3.06 3.58 -1.50 -0.88 116.42 121.45 2jyn h ASP 14 Ca 0.03 -0.26 -0.11 0.00 0.42 0.00 0.00 57.03 57.11 2jyn h ASP 14 Cb 0.80 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 2jyn h ASP 14 CO 0.06 0.94 -0.28 0.40 -2.88 0.00 0.00 179.24 177.48 2jyn h ILE 15 N 0.59 1.32 -0.17 2.25 1.08 -1.17 -1.09 117.51 120.32 2jyn h ILE 15 Ca 0.08 -1.47 -0.10 0.00 -0.39 0.00 0.00 64.86 62.97 2jyn h ILE 15 Cb 0.76 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 2jyn h ILE 15 CO 0.06 0.46 -0.35 -0.33 -0.69 0.00 0.00 178.15 177.30 2jyn h GLU 16 N 0.28 0.36 0.09 2.37 5.08 -0.96 -0.88 114.58 120.91 2jyn h GLU 16 Ca 0.03 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2jyn h GLU 16 Cb 0.85 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2jyn h GLU 16 CO 0.07 0.66 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.48 2jyn h LYS 17 N 0.30 -0.11 -0.07 2.33 3.11 -1.12 -0.39 116.57 120.63 2jyn h LYS 17 Ca 0.04 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.78 2jyn h LYS 17 Cb 0.76 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 2jyn h LYS 17 CO 0.06 0.26 -0.44 -0.56 -2.81 0.00 0.00 179.45 175.97 2jyn h GLN 18 N -0.51 0.16 -0.03 1.90 3.07 -1.13 -2.25 115.11 116.32 2jyn h GLN 18 Ca -0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 58.65 58.62 2jyn h GLN 18 Cb 0.43 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2jyn h GLN 18 CO 0.02 0.57 -0.11 0.35 0.09 0.00 0.00 178.83 179.74 2jyn h PHE 19 N 0.13 0.17 -0.54 0.06 3.57 -1.21 -2.80 116.94 116.32 2jyn h PHE 19 Ca 0.01 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.44 2jyn h PHE 19 Cb 0.83 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2jyn h PHE 19 CO 0.01 0.75 0.36 0.00 -2.23 0.00 0.00 178.31 177.20 2jyn h ALA 20 N 0.38 0.68 0.29 2.41 0.00 -0.85 0.37 119.26 122.53 2jyn h ALA 20 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jyn h ALA 20 Cb 0.76 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jyn h ALA 20 CO 0.02 0.12 -0.14 -0.24 0.00 0.00 0.00 179.25 179.02 2jyn h VAL 21 N 0.73 0.75 0.00 0.00 3.04 -1.54 -2.86 116.25 116.36 2jyn h VAL 21 Ca 0.20 -0.52 -0.04 0.00 -1.01 0.00 0.00 66.70 65.33 2jyn h VAL 21 Cb -0.08 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 2jyn h VAL 21 CO -0.04 0.11 -0.20 1.62 -1.01 0.00 0.00 177.57 178.04 2jyn h VAL 22 N -0.67 0.65 0.08 1.51 3.04 -1.23 -0.50 116.25 119.13 2jyn h VAL 22 Ca -0.04 -0.87 -0.00 0.00 -1.01 0.00 0.00 66.70 64.78 2jyn h VAL 22 Cb 0.47 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2jyn h VAL 22 CO 0.06 0.19 -0.04 0.00 -1.01 0.00 0.00 177.57 176.78 2jyn h ALA 23 N 1.80 -0.11 -0.18 3.17 0.00 -0.97 -2.41 119.26 120.57 2jyn h ALA 23 Ca -0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2jyn h ALA 23 Cb 0.54 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jyn h ALA 23 CO 0.03 -0.25 -0.31 -0.39 0.00 0.00 0.00 179.25 178.32 2jyn h VAL 24 N -0.72 1.27 0.26 0.00 -1.51 -1.25 -2.62 116.25 111.68 2jyn h VAL 24 Ca -0.01 -1.33 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2jyn h VAL 24 Cb 0.57 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2jyn h VAL 24 CO 0.02 0.41 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.31 2jyn h GLU 25 N 0.31 -0.33 -0.53 5.19 4.39 -1.14 -1.13 114.58 121.33 2jyn h GLU 25 Ca 0.04 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.82 2jyn h GLU 25 Cb 0.71 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 2jyn h GLU 25 CO 0.05 -0.19 0.24 1.96 -1.16 0.00 0.00 179.01 179.92 2jyn h GLN 26 N -0.40 0.45 -0.59 2.33 1.08 -1.37 0.97 115.11 117.59 2jyn h GLN 26 Ca -0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2jyn h GLN 26 Cb 0.30 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2jyn h GLN 26 CO 0.06 0.30 0.38 0.00 -0.95 0.00 0.00 178.83 178.61 2jyn h ALA 27 N 1.31 0.75 0.00 3.87 0.00 -1.27 -0.80 119.26 123.12 2jyn h ALA 27 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jyn h ALA 27 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jyn h ALA 27 CO -0.20 0.21 -0.22 1.05 0.00 0.00 0.00 179.25 180.09 2jyn h GLU 28 N 0.80 0.00 0.03 0.00 4.11 -0.94 -2.38 114.58 116.19 2jyn h GLU 28 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.64 2jyn h GLU 28 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2jyn h GLU 28 CO -0.04 0.00 -0.01 1.15 0.07 0.00 0.00 179.01 180.17 2jyn h THR 29 N 0.00 1.43 0.00 -1.06 2.02 -0.44 -2.09 112.91 112.78 2jyn h THR 29 Ca 0.00 -1.67 -0.05 0.00 0.77 0.00 0.00 66.41 65.46 2jyn h THR 29 Cb 0.98 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 2jyn h THR 29 CO 0.00 0.41 -0.25 1.88 0.37 0.00 0.00 175.52 177.93 2jyn h TYR 30 N -0.79 0.00 0.36 3.16 0.05 -1.23 0.14 116.97 118.66 2jyn h TYR 30 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2jyn h TYR 30 Cb 0.70 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2jyn h TYR 30 CO 0.17 0.25 -0.17 2.35 -1.05 0.00 0.00 178.16 179.71 2jyn h TRP 31 N 0.00 -0.44 0.00 4.88 2.91 -1.50 -2.68 115.95 119.12 2jyn h TRP 31 Ca -0.00 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.94 2jyn h TRP 31 Cb 0.50 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.29 2jyn h TRP 31 CO 0.00 -0.17 -0.32 1.57 -1.03 0.00 0.00 178.44 178.49 2jyn h LYS 32 N -0.68 0.00 -0.24 2.65 5.09 -0.86 -2.15 116.57 120.39 2jyn h LYS 32 Ca -0.05 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.54 2jyn h LYS 32 Cb 0.48 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.80 2jyn h LYS 32 CO 0.08 0.32 -0.47 -0.07 -2.09 0.00 0.00 179.45 177.22 2jyn h LEU 33 N 0.00 0.67 -0.20 7.07 3.38 -0.77 -0.97 115.31 124.49 2jyn h LEU 33 Ca -0.00 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2jyn h LEU 33 Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jyn h LEU 33 CO 0.04 1.04 0.03 -0.07 0.09 0.00 0.00 178.44 179.57 2jyn h LEU 34 N 0.50 0.32 -2.03 1.67 3.38 -1.09 -0.97 115.31 117.09 2jyn h LEU 34 Ca 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2jyn h LEU 34 Cb 1.00 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2jyn h LEU 34 CO 0.09 0.50 -0.09 0.71 0.09 0.00 0.00 178.44 179.74 2jyn h THR 35 N 0.13 0.50 0.00 0.22 1.35 -1.26 -3.14 112.91 110.71 2jyn h THR 35 Ca 0.06 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2jyn h THR 35 Cb 0.31 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2jyn h THR 35 CO 0.00 0.09 -0.02 0.28 -0.25 0.00 0.00 175.52 175.62 2jyn h SER 36 N 0.00 0.00 -4.29 5.36 0.02 -1.10 -3.47 113.55 110.06 2jyn h SER 36 Ca -0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2jyn h SER 36 Cb 0.28 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.64 2jyn h SER 36 CO 0.01 0.33 -0.74 0.68 -1.14 0.00 0.00 176.83 175.97 2jyn s VAL 37 N -1.39 1.05 0.79 2.27 -7.23 -0.38 -5.10 120.40 110.42 2jyn s VAL 37 Ca -0.01 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 2jyn s VAL 37 Cb 0.00 -1.38 0.07 0.00 0.56 0.00 0.00 36.38 35.63 2jyn s VAL 37 CO 0.01 -0.50 1.14 -2.16 -0.31 0.00 0.00 175.10 173.28 2jyn s PRO 38 N -2.68 1.94 0.00 4.82 0.04 -1.26 -3.69 135.00 134.16 2jyn s PRO 38 Ca 0.06 1.46 0.13 0.00 0.04 0.00 0.00 61.00 62.69 2jyn s PRO 38 Cb -0.04 -1.84 0.76 0.00 0.04 0.00 0.00 34.50 33.42 2jyn s PRO 38 CO 0.01 -1.93 1.23 0.41 0.04 0.00 0.00 177.00 176.76 2jyn n GLY 39 N -0.29 -0.47 0.34 0.56 0.00 -1.26 -2.55 105.19 101.54 2jyn n GLY 39 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2jyn n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jyn h SER 40 N 0.00 1.08 0.04 1.61 0.02 -1.90 -3.05 113.55 111.35 2jyn h SER 40 Ca 0.00 -0.15 -0.27 0.00 -0.84 0.00 0.00 61.79 60.53 2jyn h SER 40 Cb 0.02 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 62.31 2jyn h SER 40 CO 0.00 0.94 -1.09 0.11 -1.14 0.00 0.00 176.83 175.65 2jyn h LYS 41 N 1.16 0.66 -6.15 3.45 6.56 -1.87 -3.44 116.57 116.95 2jyn h LYS 41 Ca 0.27 -0.77 -0.55 0.00 -1.06 0.00 0.00 60.65 58.54 2jyn h LYS 41 Cb 0.17 0.23 -0.03 0.00 -0.57 0.00 0.00 32.23 32.04 2jyn h LYS 41 CO -0.03 1.34 1.31 -0.51 -2.06 0.00 0.00 179.45 179.51 2jyn s LEU 42 N -8.05 3.44 -0.28 2.94 1.43 -1.15 -4.97 118.68 112.03 2jyn s LEU 42 Ca -0.10 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 53.89 2jyn s LEU 42 Cb 0.06 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 2jyn s LEU 42 CO 0.92 -1.97 0.13 -0.60 0.23 0.00 0.00 176.35 175.06 2jyn s ARG 43 N 6.21 3.55 0.11 1.70 6.06 -1.26 -4.91 118.95 130.41 2jyn s ARG 43 Ca 0.76 -0.57 -0.15 0.00 -2.50 0.00 0.00 55.73 53.28 2jyn s ARG 43 Cb -0.19 -3.50 -0.05 0.00 0.06 0.00 0.00 34.95 31.27 2jyn s ARG 43 CO 0.29 -0.30 1.50 -0.07 -2.50 0.00 0.00 175.30 174.22 2jyn h LEU 44 N 8.32 0.72 0.00 -0.88 -0.00 -1.95 -3.46 115.31 118.05 2jyn h LEU 44 Ca -0.35 -0.39 -0.24 0.00 -0.00 0.00 0.00 57.88 56.90 2jyn h LEU 44 Cb 1.16 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 41.56 2jyn h LEU 44 CO 0.59 0.94 -0.19 0.35 -0.00 0.00 0.00 178.44 180.13 2jyn n THR 45 N -4.36 0.00 1.25 0.22 -2.24 -1.26 -5.00 114.28 102.88 2jyn n THR 45 Ca -0.02 -1.36 0.14 0.00 -2.27 0.00 0.00 64.05 60.54 2jyn n THR 45 Cb 0.37 0.75 0.65 0.00 -2.10 0.00 0.00 70.33 70.00 2jyn n THR 45 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2jyn n LYS 46 N -0.39 0.29 -0.19 -0.78 4.81 -1.26 -3.52 118.16 117.12 2jyn n LYS 46 Ca 0.03 -0.04 0.07 0.00 -0.87 0.00 0.00 58.31 57.50 2jyn n LYS 46 Cb 0.39 -1.50 0.10 0.00 0.02 0.00 0.00 35.03 34.04 2jyn n LYS 46 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jyn n PHE 47 N -1.32 0.00 -0.01 5.64 3.72 -1.26 -4.88 117.46 119.35 2jyn n PHE 47 Ca 0.11 -0.74 -0.08 0.00 -0.05 0.00 0.00 57.45 56.69 2jyn n PHE 47 Cb 0.29 -0.12 0.09 0.00 -0.94 0.00 0.00 39.48 38.79 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 0.01 0.62 -0.32 4.37 2.03 -1.95 -1.50 116.42 119.69 2jyn h ASP 48 Ca -0.00 -0.29 -0.16 0.00 -0.73 0.00 0.00 57.03 55.85 2jyn h ASP 48 Cb 1.11 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.43 2jyn h ASP 48 CO 0.00 0.98 -0.39 -0.78 -1.03 0.00 0.00 179.24 178.02 2jyn h ASP 49 N 0.47 0.93 1.13 4.15 3.58 -1.89 -2.45 116.42 122.33 2jyn h ASP 49 Ca 0.03 -0.42 -0.09 0.00 0.42 0.00 0.00 57.03 56.97 2jyn h ASP 49 Cb 0.95 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 2jyn h ASP 49 CO 0.09 1.20 -0.42 1.05 -2.88 0.00 0.00 179.24 178.28 2jyn h GLU 50 N 0.71 0.00 -0.83 0.28 4.11 -1.93 -2.91 114.58 114.01 2jyn h GLU 50 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2jyn h GLU 50 Cb 0.97 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 2jyn h GLU 50 CO 0.09 0.42 0.52 0.82 0.07 0.00 0.00 179.01 180.93 2jyn h ILE 51 N 0.00 1.22 0.11 -1.06 2.04 -0.83 -0.89 117.51 118.11 2jyn h ILE 51 Ca -0.00 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.42 2jyn h ILE 51 Cb 1.10 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2jyn h ILE 51 CO 0.05 0.23 -0.25 0.22 0.00 0.00 0.00 178.15 178.40 2jyn h TYR 52 N 1.13 -0.67 0.12 1.37 3.20 -1.37 -2.49 116.97 118.26 2jyn h TYR 52 Ca 0.30 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 2jyn h TYR 52 Cb -0.08 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2jyn h TYR 52 CO -0.01 -0.35 -0.06 0.93 -1.64 0.00 0.00 178.16 177.03 2jyn h GLU 53 N -0.45 -0.15 0.00 1.82 5.08 -1.26 -1.01 114.58 118.60 2jyn h GLU 53 Ca 0.03 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2jyn h GLU 53 Cb 0.48 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2jyn h GLU 53 CO -0.15 0.07 -0.26 -0.91 -1.00 0.00 0.00 179.01 176.76 2jyn h ASN 54 N -0.36 0.00 -0.08 1.42 2.35 -1.28 -0.64 115.58 116.99 2jyn h ASN 54 Ca -0.02 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 2jyn h ASN 54 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2jyn h ASN 54 CO 0.03 0.26 -0.50 0.15 -1.65 0.00 0.00 177.43 175.72 2jyn h PHE 55 N 0.00 0.80 -0.50 1.19 3.57 -1.28 -2.04 116.94 118.68 2jyn h PHE 55 Ca -0.00 -0.27 -0.13 0.00 3.53 0.00 0.00 57.97 61.10 2jyn h PHE 55 Cb 0.63 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2jyn h PHE 55 CO 0.00 1.02 -0.19 1.98 -2.23 0.00 0.00 178.31 178.88 2jyn h MET 56 N 0.51 1.02 0.12 1.11 4.05 -0.26 -0.96 114.93 120.52 2jyn h MET 56 Ca 0.02 -0.42 -0.01 0.00 -0.28 0.00 0.00 59.70 59.01 2jyn h MET 56 Cb 1.05 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 2jyn h MET 56 CO 0.10 1.11 -0.06 0.93 0.23 0.00 0.00 176.91 179.22 2jyn h GLU 57 N 0.88 -0.15 0.00 0.39 5.08 -1.18 -3.23 114.58 116.37 2jyn h GLU 57 Ca 0.12 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2jyn h GLU 57 Cb 0.78 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2jyn h GLU 57 CO 0.06 0.34 -0.67 0.00 -1.00 0.00 0.00 179.01 177.74 2jyn h ARG 58 N -0.78 0.00 -3.20 2.33 -0.00 -1.46 -3.37 114.38 107.90 2jyn h ARG 58 Ca -0.02 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.84 2jyn h ARG 58 Cb 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.11 2jyn h ARG 58 CO 0.03 0.67 -0.62 -0.06 0.00 0.00 0.00 179.97 179.99 2jyn s PHE 59 N -2.95 3.25 -1.20 3.04 0.40 -0.36 -4.93 117.98 115.23 2jyn s PHE 59 Ca 0.02 -3.19 0.23 0.00 -0.60 0.00 0.00 56.93 53.40 2jyn s PHE 59 Cb 0.09 -2.67 1.09 0.00 0.51 0.00 0.00 43.02 42.04 2jyn s PHE 59 CO 0.77 -0.65 1.77 -0.35 0.70 0.00 0.00 175.22 177.45 2jyn n PRO 60 N 2.60 0.16 0.09 0.24 -0.04 -1.22 -2.62 135.00 134.20 2jyn n PRO 60 Ca 0.13 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.71 2jyn n PRO 60 Cb 0.34 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.33 0.00 0.54 4.11 -1.91 -3.26 114.58 114.38 2jyn h GLU 61 Ca 0.00 -0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.22 2jyn h GLU 61 Cb 0.32 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2jyn h GLU 61 CO 0.00 0.32 -1.29 -0.92 0.07 0.00 0.00 179.01 177.19 2jyn h TYR 62 N 0.33 0.00 0.00 2.06 3.20 -1.83 -3.38 116.97 117.35 2jyn h TYR 62 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2jyn h TYR 62 Cb 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2jyn h TYR 62 CO 0.00 0.60 0.00 0.36 -1.64 0.00 0.00 178.16 177.48 2jyn n LYS 63 N -2.96 0.01 -1.98 1.82 2.85 -1.23 -3.07 118.16 113.61 2jyn n LYS 63 Ca -0.08 0.38 -0.35 0.00 -1.05 0.00 0.00 58.31 57.21 2jyn n LYS 63 Cb 0.84 -1.53 0.03 0.00 -0.65 0.00 0.00 35.03 33.72 2jyn n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jyn s ASP 64 N -3.09 5.25 0.11 -5.58 1.11 -1.26 -4.86 116.67 108.35 2jyn s ASP 64 Ca 0.04 2.22 -0.21 0.00 0.18 0.00 0.00 52.55 54.78 2jyn s ASP 64 Cb 0.05 -2.58 -0.08 0.00 1.07 0.00 0.00 42.92 41.38 2jyn s ASP 64 CO 0.15 -1.54 1.75 0.58 1.18 0.00 0.00 175.17 177.29 2jyn h VAL 65 N 0.67 0.99 -0.68 -1.27 2.07 -1.97 0.61 116.25 116.68 2jyn h VAL 65 Ca -0.49 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.12 2jyn h VAL 65 Cb 1.27 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2jyn h VAL 65 CO 0.55 0.03 0.46 -0.33 0.02 0.00 0.00 177.57 178.30 2jyn h GLU 66 N 0.14 0.33 0.00 1.57 4.39 -1.92 -2.07 114.58 117.02 2jyn h GLU 66 Ca 0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2jyn h GLU 66 Cb 0.02 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2jyn h GLU 66 CO -0.05 0.22 -1.08 0.54 -1.16 0.00 0.00 179.01 177.48 2jyn n ARG 67 N -4.46 0.36 0.08 2.33 5.12 -0.69 -1.89 116.66 117.52 2jyn n ARG 67 Ca 0.13 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.82 2jyn n ARG 67 Cb 0.51 -1.62 -0.15 0.00 -1.16 0.00 0.00 32.46 30.04 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 1.17 -0.01 1.55 2.07 -0.47 -3.38 116.25 117.18 2jyn h VAL 68 Ca 0.00 -2.55 -0.09 0.00 0.82 0.00 0.00 66.70 64.88 2jyn h VAL 68 Cb 0.79 2.92 0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2jyn h VAL 68 CO 0.00 0.79 -0.34 0.07 0.02 0.00 0.00 177.57 178.11 2jyn h LYS 69 N -0.06 0.25 -4.22 1.57 2.10 -1.50 -3.35 116.57 111.36 2jyn h LYS 69 Ca -0.27 -0.25 -0.17 0.00 -2.00 0.00 0.00 60.65 57.95 2jyn h LYS 69 Cb 1.97 0.07 -0.13 0.00 -0.90 0.00 0.00 32.23 33.24 2jyn h LYS 69 CO 0.18 0.96 -0.41 -1.59 -2.00 0.00 0.00 179.45 176.58 2jyn s LYS 70 N -3.22 1.35 0.16 0.07 0.00 -0.79 -0.54 119.74 116.78 2jyn s LYS 70 Ca -0.15 -1.49 0.03 0.00 0.00 0.00 0.00 55.97 54.36 2jyn s LYS 70 Cb 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 37.83 38.19 2jyn s LYS 70 CO 0.76 -0.50 0.11 1.97 0.00 0.00 0.00 175.35 177.70 2jyn n PHE 71 N -0.32 -0.26 -4.27 1.78 1.16 -1.24 -3.63 117.46 110.68 2jyn n PHE 71 Ca 0.01 -1.27 -0.30 0.00 -1.87 0.00 0.00 57.45 54.02 2jyn n PHE 71 Cb 0.64 0.10 -0.10 0.00 -1.61 0.00 0.00 39.48 38.51 2jyn n PHE 71 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2jyn s THR 72 N -2.53 3.24 0.14 1.97 -4.23 -1.26 -4.90 115.64 108.07 2jyn s THR 72 Ca 0.16 -1.30 0.10 0.00 -1.18 0.00 0.00 61.69 59.47 2jyn s THR 72 Cb 0.01 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.25 2jyn s THR 72 CO 0.11 0.13 1.43 1.05 -0.54 0.00 0.00 174.62 176.80 2jyn h GLU 73 N 3.70 0.00 0.00 3.99 4.11 -2.01 -3.34 114.58 121.03 2jyn h GLU 73 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2jyn h GLU 73 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jyn h GLU 73 CO 0.51 0.78 -0.16 1.05 0.07 0.00 0.00 179.01 181.26 2jyn h GLU 74 N 0.00 0.00 0.00 1.06 -0.00 -1.97 -0.72 114.58 112.95 2jyn h GLU 74 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2jyn h GLU 74 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.21 2jyn h GLU 74 CO 0.10 0.16 0.00 -0.85 -0.00 0.00 0.00 179.01 178.42 2jyn n GLU 75 N -4.12 0.24 0.01 1.06 0.28 -1.25 -3.18 120.64 113.69 2jyn n GLU 75 Ca -0.02 0.24 -0.01 0.00 -0.16 0.00 0.00 57.16 57.21 2jyn n GLU 75 Cb 0.24 -1.80 -0.10 0.00 1.43 0.00 0.00 31.44 31.20 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 -2.23 0.70 -1.45 -1.84 4.77 -0.32 -4.27 117.00 112.35 2jyn n LEU 76 Ca 0.05 0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 56.26 2jyn n LEU 76 Cb 0.40 0.12 0.10 0.00 -2.33 0.00 0.00 43.42 41.71 2jyn n LEU 76 CO 0.29 0.18 0.78 0.29 -1.33 0.00 0.00 177.39 177.60 2jyn n LYS 77 N -2.83 1.80 -4.31 3.23 5.02 -0.93 -4.70 118.16 115.45 2jyn n LYS 77 Ca -0.12 -1.34 -0.17 0.00 -2.02 0.00 0.00 58.31 54.66 2jyn n LYS 77 Cb 0.86 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 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 -1.52 1.52 0.34 -0.18 -1.32 -1.26 -5.05 115.64 108.18 2jyn s THR 78 Ca 0.25 -2.14 0.02 0.00 -1.21 0.00 0.00 61.69 58.61 2jyn s THR 78 Cb 0.21 -1.95 0.22 0.00 -1.51 0.00 0.00 72.50 69.47 2jyn s THR 78 CO 0.05 -0.64 1.95 0.50 -2.21 0.00 0.00 174.62 174.28 2jyn h LYS 79 N 2.68 0.76 -0.67 7.08 3.64 -1.94 -2.68 116.57 125.44 2jyn h LYS 79 Ca -0.38 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 59.01 2jyn h LYS 79 Cb 1.21 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 2jyn h LYS 79 CO 0.62 0.58 0.44 0.93 -2.27 0.00 0.00 179.45 179.75 2jyn h GLU 80 N 0.76 0.52 0.32 1.90 5.08 -1.95 -2.18 114.58 119.03 2jyn h GLU 80 Ca 0.19 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2jyn h GLU 80 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jyn h GLU 80 CO -0.03 0.34 -0.15 0.00 -1.00 0.00 0.00 179.01 178.17 2jyn h ALA 81 N 1.66 -0.43 -0.45 3.43 0.00 -1.66 -2.62 119.26 119.19 2jyn h ALA 81 Ca 0.31 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2jyn h ALA 81 Cb 0.49 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2jyn h ALA 81 CO -0.10 -0.59 0.31 0.87 0.00 0.00 0.00 179.25 179.74 2jyn h LYS 82 N -0.74 0.35 0.48 0.00 1.57 -1.39 0.57 116.57 117.41 2jyn h LYS 82 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2jyn h LYS 82 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2jyn h LYS 82 CO 0.07 0.23 -0.23 0.93 -0.57 0.00 0.00 179.45 179.89 2jyn h GLU 83 N 0.36 -0.62 0.00 3.15 5.08 -1.48 -2.37 114.58 118.71 2jyn h GLU 83 Ca 0.20 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2jyn h GLU 83 Cb 0.33 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jyn h GLU 83 CO -0.05 -0.32 -0.16 0.07 -1.00 0.00 0.00 179.01 177.55 2jyn h ARG 84 N -1.03 0.00 0.00 2.33 0.11 -1.00 -1.36 114.38 113.42 2jyn h ARG 84 Ca -0.07 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 2jyn h ARG 84 Cb 0.58 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 2jyn h ARG 84 CO 0.11 0.16 -0.44 -1.49 0.10 0.00 0.00 179.97 178.41 2jyn h TRP 85 N 0.00 0.00 -0.30 4.08 -0.00 -0.98 -0.29 115.95 118.46 2jyn h TRP 85 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 58.77 2jyn h TRP 85 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.62 2jyn h TRP 85 CO 0.00 0.44 -0.27 -0.09 -0.00 0.00 0.00 178.44 178.52 2jyn h ARG 86 N 0.00 0.72 -0.72 0.49 2.43 -0.72 -1.84 114.38 114.74 2jyn h ARG 86 Ca -0.00 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2jyn h ARG 86 Cb 1.33 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.85 2jyn h ARG 86 CO 0.06 0.98 0.43 0.87 -1.51 0.00 0.00 179.97 180.80 2jyn h LYS 87 N 0.47 0.97 -0.46 0.20 6.56 -1.16 0.59 116.57 123.73 2jyn h LYS 87 Ca 0.05 -0.08 -0.03 0.00 -1.06 0.00 0.00 60.65 59.52 2jyn h LYS 87 Cb 0.84 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 2jyn h LYS 87 CO 0.07 0.68 0.16 0.35 -2.06 0.00 0.00 179.45 178.65 2jyn h PHE 88 N 0.99 0.73 -0.52 -1.35 3.57 -1.01 -2.87 116.94 116.47 2jyn h PHE 88 Ca 0.26 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2jyn h PHE 88 Cb -0.04 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2jyn h PHE 88 CO 0.00 0.64 0.21 0.35 -2.23 0.00 0.00 178.31 177.28 2jyn h PHE 89 N 0.61 0.80 0.00 0.41 3.57 -0.91 -3.12 116.94 118.29 2jyn h PHE 89 Ca 0.15 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2jyn h PHE 89 Cb 0.24 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2jyn h PHE 89 CO 0.01 0.65 0.00 0.25 -2.23 0.00 0.00 178.31 176.99 2jyn n THR 90 N -4.53 0.90 -0.03 4.41 -2.24 0.16 0.01 114.28 112.95 2jyn n THR 90 Ca 0.02 0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 62.11 2jyn n THR 90 Cb 0.16 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 66.87 2jyn n THR 90 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jyn h ILE 91 N 0.00 1.44 -0.60 2.28 2.04 -1.46 -3.38 117.51 117.84 2jyn h ILE 91 Ca 0.00 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2jyn h ILE 91 Cb 0.21 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2jyn h ILE 91 CO 0.00 0.45 0.00 0.49 0.00 0.00 0.00 178.15 179.09 2jyn n PHE 92 N -4.56 0.79 0.22 1.37 3.72 0.44 -4.38 117.46 115.06 2jyn n PHE 92 Ca -0.08 -0.47 0.05 0.00 -0.05 0.00 0.00 57.45 56.90 2jyn n PHE 92 Cb 0.42 -0.01 0.51 0.00 -0.94 0.00 0.00 39.48 39.47 2jyn n PHE 92 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2jyn h GLU 93 N 3.70 0.01 0.00 -1.08 4.11 -0.61 0.28 114.58 120.99 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 0.17 0.00 1.63 0.07 0.00 0.00 179.01 180.88 2jyn n LYS 94 N -4.34 0.33 0.04 1.06 4.76 -1.26 -4.52 118.16 114.23 2jyn n LYS 94 Ca -0.02 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2jyn n LYS 94 Cb 0.23 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.33 0.00 -2.75 1.97 0.00 -0.94 -5.03 118.16 110.08 2jyn n LYS 95 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.01 2jyn n LYS 95 Cb 0.25 -0.09 -0.04 0.00 -0.00 0.00 0.00 35.03 35.15 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 -1.39 4.15 0.19 0.58 -1.09 0.04 -4.85 121.20 118.84 2jyn s ILE 96 Ca 0.00 0.14 0.06 0.00 -2.23 0.00 0.00 60.65 58.61 2jyn s ILE 96 Cb 0.00 -4.71 -0.12 0.00 -1.58 0.00 0.00 42.46 36.05 2jyn s ILE 96 CO 0.00 -1.46 1.44 -0.33 -1.23 0.00 0.00 174.94 173.36 2jyn h GLU 97 N 9.62 0.11 0.00 2.79 4.39 -1.86 -3.33 114.58 126.29 2jyn h GLU 97 Ca -0.27 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2jyn h GLU 97 Cb 1.06 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2jyn h GLU 97 CO 1.18 0.85 0.00 -0.25 -1.16 0.00 0.00 179.01 179.63 2jyn n ASP 98 N -3.66 0.00 0.14 1.42 9.92 -1.26 -4.47 116.55 118.64 2jyn n ASP 98 Ca -0.02 -1.93 0.16 0.00 -0.53 0.00 0.00 54.79 52.47 2jyn n ASP 98 Cb 0.76 0.00 0.72 0.00 -0.64 0.00 0.00 41.12 41.96 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 0.00 0.00 0.00 1.24 -0.00 -1.96 -2.65 116.97 113.60 2jyn h TYR 99 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2jyn h TYR 99 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 2jyn h TYR 99 CO 0.00 0.00 -0.19 0.27 -0.00 0.00 0.00 178.16 178.24 2jyn n ASN 100 N -4.27 2.00 -0.21 0.10 6.94 -1.26 -0.60 115.26 117.96 2jyn n ASN 100 Ca 0.04 -3.19 -0.08 0.00 -0.02 0.00 0.00 54.58 51.33 2jyn n ASN 100 Cb 0.37 -0.44 0.03 0.00 -2.36 0.00 0.00 39.78 37.38 2jyn n ASN 100 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2jyn h PHE 101 N 0.28 0.93 0.00 -2.53 3.57 -1.81 -3.45 116.94 113.93 2jyn h PHE 101 Ca -0.01 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2jyn h PHE 101 Cb 1.05 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2jyn h PHE 101 CO 0.20 0.76 0.00 0.41 -2.23 0.00 0.00 178.31 177.45 2jyn n GLY 102 N -0.76 2.23 2.90 2.40 0.00 -1.26 -4.97 105.19 105.72 2jyn n GLY 102 Ca 0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 0.02 -0.16 2.61 2.01 -0.57 -4.56 115.64 114.99 2jyn s THR 103 Ca 0.00 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 2jyn s THR 103 Cb 0.00 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.44 2jyn s THR 103 CO 0.00 -0.09 0.97 -0.22 -0.69 0.00 0.00 174.62 174.59 2jyn s LEU 104 N -0.26 4.18 -0.19 4.42 0.20 -1.22 -2.14 118.68 123.66 2jyn s LEU 104 Ca -0.03 1.39 -0.04 0.00 0.69 0.00 0.00 54.13 56.15 2jyn s LEU 104 Cb -0.02 -3.47 -0.02 0.00 -0.43 0.00 0.00 46.19 42.25 2jyn s LEU 104 CO -0.00 -0.51 -0.04 -0.22 -0.29 0.00 0.00 176.35 175.30 2jyn s LEU 105 N 2.43 3.06 -0.03 -0.68 2.96 -0.78 -4.45 118.68 121.19 2jyn s LEU 105 Ca 0.44 -0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 2jyn s LEU 105 Cb -0.17 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.69 2jyn s LEU 105 CO 0.13 0.06 1.84 0.00 -1.32 0.00 0.00 176.35 177.06 2jyn s ARG 106 N 1.00 4.07 0.18 1.98 1.70 -1.26 -1.27 118.95 125.34 2jyn s ARG 106 Ca 0.01 2.35 -0.14 0.00 -0.47 0.00 0.00 55.73 57.48 2jyn s ARG 106 Cb -0.15 -4.10 0.12 0.00 -0.57 0.00 0.00 34.95 30.25 2jyn s ARG 106 CO 0.01 -1.01 1.79 1.79 -1.08 0.00 0.00 175.30 176.79 2jyn h THR 107 N 5.75 0.98 -2.69 4.99 1.35 -1.51 -3.43 112.91 118.35 2jyn h THR 107 Ca -0.44 -0.17 -0.57 0.00 -0.55 0.00 0.00 66.41 64.68 2jyn h THR 107 Cb 1.21 0.43 -0.05 0.00 -1.73 0.00 0.00 68.15 68.00 2jyn h THR 107 CO 0.95 0.09 -0.53 -0.62 -0.25 0.00 0.00 175.52 175.16 2jyn s ASP 108 N -5.50 5.82 0.25 5.36 2.15 -1.26 -3.67 116.67 119.82 2jyn s ASP 108 Ca -0.13 -0.01 -0.00 0.00 0.43 0.00 0.00 52.55 52.84 2jyn s ASP 108 Cb 0.13 -1.62 0.31 0.00 -0.30 0.00 0.00 42.92 41.45 2jyn s ASP 108 CO 0.73 0.07 1.68 0.00 -0.17 0.00 0.00 175.17 177.48 2jyn h ALA 109 N 2.39 1.00 -0.62 3.66 0.00 -1.09 -2.99 119.26 121.61 2jyn h ALA 109 Ca -0.48 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 53.86 2jyn h ALA 109 Cb 1.20 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 2jyn h ALA 109 CO 0.65 0.59 0.26 0.45 0.00 0.00 0.00 179.25 181.21 2jyn n SER 110 N -4.11 4.17 -4.74 0.00 2.88 -1.26 -4.61 113.62 105.95 2jyn n SER 110 Ca -0.00 -3.00 -0.26 0.00 -1.33 0.00 0.00 58.87 54.28 2jyn n SER 110 Cb 0.43 -0.71 0.10 0.00 -0.75 0.00 0.00 64.21 63.28 2jyn n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jyn s ALA 111 N -2.49 3.09 0.00 -1.46 0.00 -1.13 -5.13 121.76 114.64 2jyn s ALA 111 Ca 0.44 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2jyn s ALA 111 Cb 0.35 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2jyn s ALA 111 CO 0.11 -1.53 0.00 -0.85 0.00 0.00 0.00 175.76 173.48 2jyn n GLU 112 N -3.06 1.83 -0.44 0.00 0.28 -1.26 -5.02 120.64 112.98 2jyn n GLU 112 Ca 0.11 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.15 2jyn n GLU 112 Cb 0.60 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.68 2jyn n GLU 112 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 2jyn n TYR 113 N -0.18 1.03 -2.99 -1.84 0.18 -1.26 -4.59 117.16 107.51 2jyn n TYR 113 Ca 0.00 -0.37 -0.37 0.00 1.88 0.00 0.00 57.90 59.04 2jyn n TYR 113 Cb 0.00 -0.28 -0.06 0.00 -0.38 0.00 0.00 39.34 38.62 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 -0.48 2.75 0.63 -7.48 0.00 -1.26 -4.93 107.32 96.54 2jyn s GLY 114 Ca 0.28 0.31 0.36 0.00 0.00 0.00 0.00 44.72 45.67 2jyn s GLY 114 CO 0.10 0.72 2.25 0.06 0.00 0.00 0.00 173.10 176.23 2jyn h GLN 115 N 3.61 0.00 -0.16 2.90 -0.00 -1.92 -0.23 115.11 119.31 2jyn h GLN 115 Ca -0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.01 2jyn h GLN 115 Cb 1.20 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.68 2jyn h GLN 115 CO 0.65 0.00 -0.56 0.35 -0.00 0.00 0.00 178.83 179.28 2jyn h PHE 116 N 0.00 0.87 -0.49 0.06 3.57 -1.97 -3.31 116.94 115.67 2jyn h PHE 116 Ca 0.01 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2jyn h PHE 116 Cb 0.14 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2jyn h PHE 116 CO 0.00 1.15 0.00 0.25 -2.23 0.00 0.00 178.31 177.48 2jyn n THR 117 N -4.13 0.65 -4.27 4.41 -2.24 -0.22 -4.92 114.28 103.55 2jyn n THR 117 Ca -0.07 -0.76 -0.16 0.00 -2.27 0.00 0.00 64.05 60.79 2jyn n THR 117 Cb 0.63 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.35 1.36 -0.04 4.28 -4.23 -0.46 -1.26 115.64 113.93 2jyn s THR 118 Ca 0.40 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.87 2jyn s THR 118 Cb 0.22 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 72.27 2jyn s THR 118 CO 0.30 -0.63 0.08 0.00 -0.54 0.00 0.00 174.62 173.83 2jyn s PHE 120 N 1.19 2.35 0.52 0.00 0.40 -1.26 -1.87 117.98 119.30 2jyn s PHE 120 Ca -0.08 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 2jyn s PHE 120 Cb -0.12 -4.35 -0.00 0.00 0.51 0.00 0.00 43.02 39.05 2jyn s PHE 120 CO -0.04 -1.96 0.02 0.14 0.70 0.00 0.00 175.22 174.07 2jyn s VAL 121 N 5.76 0.95 0.67 -0.44 -7.23 -0.91 -4.99 120.40 114.21 2jyn s VAL 121 Ca 0.57 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.63 2jyn s VAL 121 Cb -0.12 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2jyn s VAL 121 CO 0.29 0.00 1.06 0.68 -0.31 0.00 0.00 175.10 176.82 2jyn s VAL 122 N -2.94 4.11 0.28 1.32 -7.23 -1.26 -1.50 120.40 113.18 2jyn s VAL 122 Ca 0.03 0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 60.87 2jyn s VAL 122 Cb 0.00 -3.63 0.27 0.00 0.56 0.00 0.00 36.38 33.59 2jyn s VAL 122 CO 0.02 -0.90 1.90 0.03 -0.31 0.00 0.00 175.10 175.85 2jyn h ARG 123 N -0.53 1.09 -0.76 4.82 3.08 -1.08 -2.31 114.38 118.69 2jyn h ARG 123 Ca -0.44 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 2jyn h ARG 123 Cb 1.22 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 2jyn h ARG 123 CO 0.62 0.72 0.46 1.25 -1.07 0.00 0.00 179.97 181.95 2jyn h LEU 124 N 1.13 0.91 -0.28 3.04 7.12 -1.52 -0.61 115.31 125.10 2jyn h LEU 124 Ca 0.40 -0.06 -0.21 0.00 0.13 0.00 0.00 57.88 58.14 2jyn h LEU 124 Cb 0.13 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 2jyn h LEU 124 CO -0.15 0.71 -0.79 1.56 -0.13 0.00 0.00 178.44 179.64 2jyn h GLN 125 N 1.04 0.54 0.24 1.25 4.20 -1.78 -1.45 115.11 119.15 2jyn h GLN 125 Ca 0.27 -0.46 0.01 0.00 0.06 0.00 0.00 58.65 58.53 2jyn h GLN 125 Cb -0.04 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2jyn h GLN 125 CO -0.05 1.09 -0.31 0.35 -0.67 0.00 0.00 178.83 179.24 2jyn h PHE 126 N 0.35 -0.85 -0.15 2.96 3.57 -1.05 -2.97 116.94 118.80 2jyn h PHE 126 Ca -0.05 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.50 2jyn h PHE 126 Cb 1.40 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 40.43 2jyn h PHE 126 CO 0.06 -0.44 -0.12 1.88 -2.23 0.00 0.00 178.31 177.46 2jyn h TYR 127 N -0.61 -0.29 -0.44 0.41 0.05 -1.13 -2.22 116.97 112.74 2jyn h TYR 127 Ca 0.00 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2jyn h TYR 127 Cb 0.59 0.15 -0.07 0.00 1.01 0.00 0.00 36.73 38.41 2jyn h TYR 127 CO -0.22 -0.18 -0.41 0.00 -1.05 0.00 0.00 178.16 176.30 2jyn h ALA 128 N 0.98 -0.56 0.00 3.88 0.00 -1.11 0.88 119.26 123.33 2jyn h ALA 128 Ca 0.10 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2jyn h ALA 128 Cb 0.27 1.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2jyn h ALA 128 CO -0.23 -0.79 -0.58 0.74 0.00 0.00 0.00 179.25 178.39 2jyn h PHE 129 N -0.18 0.00 -0.03 0.00 0.04 -1.55 -2.95 116.94 112.26 2jyn h PHE 129 Ca 0.07 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.71 2jyn h PHE 129 Cb 0.38 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.54 2jyn h PHE 129 CO -0.80 0.58 -0.49 1.49 -0.60 0.00 0.00 178.31 178.48 2jyn h GLU 130 N 0.00 0.39 -0.79 1.51 4.57 -0.70 -2.58 114.58 116.97 2jyn h GLU 130 Ca -0.01 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 2jyn h GLU 130 Cb 1.24 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.89 2jyn h GLU 130 CO 0.08 1.04 0.44 0.82 -1.18 0.00 0.00 179.01 180.21 2jyn h ILE 131 N -0.12 1.23 0.39 2.32 2.04 -0.93 -1.27 117.51 121.18 2jyn h ILE 131 Ca -0.05 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2jyn h ILE 131 Cb 1.19 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 2jyn h ILE 131 CO 0.10 0.26 -0.48 0.00 0.00 0.00 0.00 178.15 178.02 2jyn h ALA 132 N 1.23 -1.10 0.00 1.87 0.00 -1.52 -0.89 119.26 118.86 2jyn h ALA 132 Ca 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jyn h ALA 132 Cb 0.02 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jyn h ALA 132 CO -0.05 -1.15 -0.13 0.07 0.00 0.00 0.00 179.25 178.00 2jyn h ARG 133 N -0.90 0.00 0.05 0.00 0.11 -1.41 -1.68 114.38 110.56 2jyn h ARG 133 Ca -0.05 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 2jyn h ARG 133 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 2jyn h ARG 133 CO -0.11 0.13 -0.02 -0.91 0.10 0.00 0.00 179.97 179.16 2jyn h ASN 134 N 0.00 -0.05 0.34 0.08 4.21 -0.99 0.16 115.58 119.33 2jyn h ASN 134 Ca -0.00 -0.41 -0.09 0.00 1.21 0.00 0.00 56.30 57.01 2jyn h ASN 134 Cb 0.44 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 2jyn h ASN 134 CO 0.02 0.40 -0.39 0.11 -1.29 0.00 0.00 177.43 176.27 2jyn h LYS 135 N -0.52 0.07 0.00 0.81 1.57 -0.88 -2.42 116.57 115.21 2jyn h LYS 135 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2jyn h LYS 135 Cb 0.46 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2jyn h LYS 135 CO 0.01 0.45 -0.78 0.72 -0.57 0.00 0.00 179.45 179.28 2jyn n HIS 136 N -4.06 0.27 -1.66 -1.35 8.25 -0.66 -4.98 115.22 111.03 2jyn n HIS 136 Ca -0.02 0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 2jyn n HIS 136 Cb 0.43 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 1.40 0.59 0.23 -1.41 0.00 -0.15 -4.93 105.19 100.91 2jyn n GLY 137 Ca 0.03 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.61 2jyn n GLY 137 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jyn h LEU 138 N 0.00 0.00 -2.96 0.99 4.07 -1.06 -2.80 115.31 113.55 2jyn h LEU 138 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 2jyn h LEU 138 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2jyn h LEU 138 CO 0.25 0.00 0.00 -0.46 -1.08 0.00 0.00 178.44 177.15 2jyn n ASN 139 N -2.96 3.06 0.29 -0.43 6.94 -1.18 -4.51 115.26 116.48 2jyn n ASN 139 Ca 0.02 -2.19 0.19 0.00 -0.02 0.00 0.00 54.58 52.59 2jyn n ASN 139 Cb 0.40 -0.28 0.89 0.00 -2.36 0.00 0.00 39.78 38.43 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 1.90 0.00 -0.14 0.53 3.58 -1.74 -2.48 116.42 118.06 2jyn h ASP 140 Ca 0.00 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.49 2jyn h ASP 140 Cb 0.85 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 2jyn h ASP 140 CO 0.04 0.00 0.16 4.11 -2.88 0.00 0.00 179.24 180.67 2jyn h TRP 141 N 0.00 0.00 0.00 0.28 5.08 -1.84 -1.07 115.95 118.40 2jyn h TRP 141 Ca 0.00 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.88 2jyn h TRP 141 Cb 0.28 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.43 2jyn h TRP 141 CO 0.00 0.00 -0.44 0.82 -1.28 0.00 0.00 178.44 177.54 2jyn h ILE 142 N 0.00 1.23 0.00 0.12 2.04 -1.82 -2.72 117.51 116.36 2jyn h ILE 142 Ca 0.07 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 2jyn h ILE 142 Cb 0.39 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2jyn h ILE 142 CO -0.00 0.43 -0.06 -0.37 0.00 0.00 0.00 178.15 178.15 2jyn h VAL 143 N 0.00 0.16 -0.63 1.67 -1.51 -1.33 -3.05 116.25 111.55 2jyn h VAL 143 Ca -0.00 -0.62 -0.42 0.00 -1.23 0.00 0.00 66.70 64.43 2jyn h VAL 143 Cb 0.82 1.53 -0.26 0.00 -2.13 0.00 0.00 31.29 31.25 2jyn h VAL 143 CO 0.06 0.06 -0.14 0.61 -1.23 0.00 0.00 177.57 176.92 2jyn n GLY 144 N -0.04 5.63 3.76 5.19 0.00 -1.03 -4.60 105.19 114.11 2jyn n GLY 144 Ca 0.00 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.50 1.89 0.00 1.61 -1.52 -1.15 -5.06 119.66 111.93 2jyn s GLN 145 Ca 0.51 0.89 0.14 0.00 -1.95 0.00 0.00 55.36 54.95 2jyn s GLN 145 Cb 0.43 -1.88 0.82 0.00 -0.22 0.00 0.00 33.01 32.16 2jyn s GLN 145 CO 0.01 -1.82 1.24 1.63 -0.25 0.00 0.00 175.29 176.10