#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsx s HIS 2 N 0.00 3.40 -0.23 2.03 0.09 -1.26 -5.01 115.29 114.31 2jsx s HIS 2 Ca 0.00 1.32 0.01 0.00 -0.00 0.00 0.00 55.06 56.39 2jsx s HIS 2 Cb 0.00 -3.09 0.04 0.00 -0.00 0.00 0.00 32.58 29.53 2jsx s HIS 2 CO 0.00 -0.30 -0.12 0.99 -0.00 0.00 0.00 174.74 175.31 2jsx s THR 3 N 2.40 2.34 -0.72 1.30 2.01 -1.26 -5.05 115.64 116.67 2jsx s THR 3 Ca 0.40 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 60.88 2jsx s THR 3 Cb -0.16 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.14 2jsx s THR 3 CO 0.11 0.21 1.57 0.20 -0.69 0.00 0.00 174.62 176.01 2jsx s ASN 4 N 1.22 5.76 0.84 3.53 -0.87 -1.26 -4.97 114.94 119.20 2jsx s ASN 4 Ca -0.02 -0.21 -0.11 0.00 -1.57 0.00 0.00 52.86 50.95 2jsx s ASN 4 Cb -0.17 -2.55 0.10 0.00 -0.02 0.00 0.00 41.25 38.61 2jsx s ASN 4 CO -0.07 -2.09 1.10 -1.66 -2.57 0.00 0.00 177.10 171.80 2jsx s TRP 5 N 7.30 2.36 -0.04 2.20 1.48 -1.26 -5.03 118.94 125.94 2jsx s TRP 5 Ca 0.51 1.46 0.01 0.00 -1.06 0.00 0.00 56.10 57.02 2jsx s TRP 5 Cb -0.09 -3.12 -0.03 0.00 -1.16 0.00 0.00 33.47 29.07 2jsx s TRP 5 CO 0.15 -2.17 -0.05 1.14 -4.06 0.00 0.00 176.95 171.95 2jsx s GLN 6 N -4.88 2.72 0.18 3.25 -2.07 0.06 -4.93 119.66 114.00 2jsx s GLN 6 Ca 0.63 -0.59 0.11 0.00 -1.82 0.00 0.00 55.36 53.68 2jsx s GLN 6 Cb -0.18 -2.60 -0.04 0.00 -1.09 0.00 0.00 33.01 29.10 2jsx s GLN 6 CO 0.57 0.65 -0.20 0.14 -1.32 0.00 0.00 175.29 175.12 2jsx s VAL 7 N -0.91 2.59 -0.00 3.63 -7.23 -1.26 -1.40 120.40 115.82 2jsx s VAL 7 Ca 0.15 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2jsx s VAL 7 Cb -0.11 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.58 2jsx s VAL 7 CO 0.04 -0.09 0.04 0.00 -0.31 0.00 0.00 175.10 174.79 2jsx s SER 9 N -0.79 5.65 -0.26 0.00 0.15 -0.38 -0.97 113.70 117.10 2jsx s SER 9 Ca -0.09 0.06 -0.05 0.00 0.70 0.00 0.00 55.95 56.56 2jsx s SER 9 Cb -0.05 -1.98 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2jsx s SER 9 CO -0.00 0.14 0.03 -0.76 1.20 0.00 0.00 173.24 173.84 2jsx s LEU 10 N 0.61 3.41 -0.58 3.45 1.43 0.11 0.28 118.68 127.39 2jsx s LEU 10 Ca 0.04 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 2jsx s LEU 10 Cb -0.13 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.35 2jsx s LEU 10 CO 0.01 -0.10 0.75 -0.69 0.23 0.00 0.00 176.35 176.55 2jsx s VAL 11 N 1.50 4.71 -0.21 -1.59 1.01 -0.25 -0.51 120.40 125.06 2jsx s VAL 11 Ca 0.04 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 2jsx s VAL 11 Cb -0.16 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 2jsx s VAL 11 CO 0.00 -1.10 0.21 -0.69 0.00 0.00 0.00 175.10 173.52 2jsx s VAL 12 N 3.02 5.34 -0.19 2.92 1.01 0.81 -1.10 120.40 132.21 2jsx s VAL 12 Ca 0.16 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 2jsx s VAL 12 Cb -0.21 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2jsx s VAL 12 CO 0.09 0.37 0.08 -1.58 0.00 0.00 0.00 175.10 174.07 2jsx s GLN 13 N 0.77 4.02 0.27 2.72 2.00 0.76 -0.38 119.66 129.82 2jsx s GLN 13 Ca 0.11 -0.31 -0.07 0.00 -2.00 0.00 0.00 55.36 53.09 2jsx s GLN 13 Cb -0.13 -3.28 -0.01 0.00 0.80 0.00 0.00 33.01 30.39 2jsx s GLN 13 CO 0.03 0.26 0.40 0.00 -0.50 0.00 0.00 175.29 175.48 2jsx s ALA 14 N 0.44 0.38 0.09 1.58 0.00 -0.08 0.37 121.76 124.54 2jsx s ALA 14 Ca 0.04 -1.26 -0.31 0.00 0.00 0.00 0.00 51.96 50.43 2jsx s ALA 14 Cb -0.12 1.17 -0.11 0.00 0.00 0.00 0.00 23.12 24.06 2jsx s ALA 14 CO -0.00 -0.78 1.86 1.63 0.00 0.00 0.00 175.76 178.48 2jsx n LYS 15 N -0.42 2.74 0.16 0.00 4.01 -0.84 -4.58 118.16 119.23 2jsx n LYS 15 Ca 0.00 1.00 0.06 0.00 -0.51 0.00 0.00 58.31 58.86 2jsx n LYS 15 Cb 0.63 -2.90 0.56 0.00 -0.51 0.00 0.00 35.03 32.80 2jsx n LYS 15 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 2jsx h SER 16 N 8.96 0.19 0.95 4.39 0.02 -1.91 -0.11 113.55 126.04 2jsx h SER 16 Ca -0.47 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2jsx h SER 16 Cb 1.23 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2jsx h SER 16 CO 0.94 0.13 -0.07 -1.84 -1.14 0.00 0.00 176.83 174.86 2jsx n GLU 17 N -4.51 0.01 -0.09 3.45 0.28 -1.26 -3.45 120.64 115.07 2jsx n GLU 17 Ca -0.01 0.01 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 2jsx n GLU 17 Cb 0.08 -1.51 0.08 0.00 1.43 0.00 0.00 31.44 31.51 2jsx n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2jsx n ARG 18 N -1.53 2.80 -0.33 3.44 0.63 -0.10 -4.62 116.66 116.95 2jsx n ARG 18 Ca 0.07 -1.85 -0.04 0.00 -0.92 0.00 0.00 57.85 55.10 2jsx n ARG 18 Cb 0.34 -1.18 0.09 0.00 0.45 0.00 0.00 32.46 32.16 2jsx n ARG 18 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2jsx h ILE 19 N 0.75 1.26 -0.62 5.15 1.08 -1.48 -0.57 117.51 123.09 2jsx h ILE 19 Ca 0.00 -0.67 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 2jsx h ILE 19 Cb 0.67 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 2jsx h ILE 19 CO 0.01 0.30 0.21 -1.28 -0.69 0.00 0.00 178.15 176.71 2jsx h SER 20 N 1.26 0.85 0.34 1.72 0.87 -1.85 0.23 113.55 116.97 2jsx h SER 20 Ca 0.31 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2jsx h SER 20 Cb 0.05 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2jsx h SER 20 CO -0.05 0.79 -0.16 0.44 -0.53 0.00 0.00 176.83 177.32 2jsx h ASP 21 N 0.90 -0.39 -0.59 6.23 3.32 -1.68 -3.07 116.42 121.14 2jsx h ASP 21 Ca 0.21 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2jsx h ASP 21 Cb 0.23 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2jsx h ASP 21 CO -0.01 0.02 0.26 0.40 -1.72 0.00 0.00 179.24 178.19 2jsx h ILE 22 N -0.88 1.22 -0.04 0.35 2.04 -1.01 -1.65 117.51 117.54 2jsx h ILE 22 Ca -0.05 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 2jsx h ILE 22 Cb 0.53 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2jsx h ILE 22 CO 0.08 0.26 -0.14 -1.28 0.00 0.00 0.00 178.15 177.07 2jsx h SER 23 N 0.81 0.06 0.15 1.72 0.87 -0.63 0.29 113.55 116.82 2jsx h SER 23 Ca 0.20 -0.01 -0.30 0.00 -1.23 0.00 0.00 61.79 60.45 2jsx h SER 23 Cb 0.17 -0.02 0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2jsx h SER 23 CO -0.02 0.21 -1.23 0.74 -0.53 0.00 0.00 176.83 175.99 2jsx h THR 24 N 0.06 1.29 -0.61 2.23 2.02 -1.32 -2.90 112.91 113.69 2jsx h THR 24 Ca 0.01 -2.48 -0.08 0.00 0.77 0.00 0.00 66.41 64.64 2jsx h THR 24 Cb 0.29 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 2jsx h THR 24 CO 0.02 0.75 0.08 1.56 0.37 0.00 0.00 175.52 178.31 2jsx h GLN 25 N 0.27 1.01 -0.28 6.66 4.20 -0.59 -2.79 115.11 123.59 2jsx h GLN 25 Ca -0.18 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 2jsx h GLN 25 Cb 1.91 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.56 2jsx h GLN 25 CO 0.23 0.96 -0.08 -0.07 -0.67 0.00 0.00 178.83 179.20 2jsx h LEU 26 N 0.92 0.43 0.00 1.46 3.38 -0.45 -1.63 115.31 119.41 2jsx h LEU 26 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jsx h LEU 26 Cb 0.45 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jsx h LEU 26 CO 0.01 0.56 0.00 0.59 0.09 0.00 0.00 178.44 179.70 2jsx n ASN 27 N -4.24 0.00 0.05 -0.43 3.02 -1.10 -3.03 115.26 109.53 2jsx n ASN 27 Ca 0.01 0.17 0.13 0.00 -0.03 0.00 0.00 54.58 54.86 2jsx n ASN 27 Cb 0.29 -0.39 0.44 0.00 -0.61 0.00 0.00 39.78 39.51 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jsx n ALA 28 N -1.39 2.50 -2.03 5.41 0.00 -0.61 -4.80 120.51 119.58 2jsx n ALA 28 Ca 0.10 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 2jsx n ALA 28 Cb 0.28 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 2jsx n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jsx s PHE 29 N -3.06 3.50 -0.09 0.00 0.08 -1.17 -4.98 117.98 112.26 2jsx s PHE 29 Ca 0.11 1.41 -0.29 0.00 0.12 0.00 0.00 56.93 58.28 2jsx s PHE 29 Cb 0.15 -2.66 -0.06 0.00 -0.57 0.00 0.00 43.02 39.88 2jsx s PHE 29 CO 0.60 0.16 1.93 -2.14 -0.10 0.00 0.00 175.22 175.67 2jsx s PRO 30 N -2.53 3.81 -1.04 0.24 0.02 -1.26 -2.04 135.00 132.19 2jsx s PRO 30 Ca 0.51 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.75 2jsx s PRO 30 Cb -0.13 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.21 2jsx s PRO 30 CO 0.19 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 2jsx n GLY 31 N 4.85 0.74 3.14 0.52 0.00 -1.26 -4.70 105.19 108.47 2jsx n GLY 31 Ca 0.22 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2jsx n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jsx s GLU 33 N 1.21 2.02 -0.48 0.00 2.12 -0.75 -3.89 118.70 118.93 2jsx s GLU 33 Ca -0.05 -0.89 -0.23 0.00 0.36 0.00 0.00 54.97 54.16 2jsx s GLU 33 Cb -0.20 -1.95 0.03 0.00 0.26 0.00 0.00 34.13 32.27 2jsx s GLU 33 CO -0.02 0.53 0.80 0.08 -0.54 0.00 0.00 175.26 176.11 2jsx s VAL 34 N -0.58 4.62 -0.11 3.70 1.01 -1.26 -0.14 120.40 127.64 2jsx s VAL 34 Ca 0.09 0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2jsx s VAL 34 Cb -0.10 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2jsx s VAL 34 CO -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 175.10 174.32 2jsx h ALA 35 N 9.05 0.00 -3.19 5.51 0.00 -1.08 -3.46 119.26 126.09 2jsx h ALA 35 Ca -0.25 -0.07 -0.62 0.00 0.00 0.00 0.00 54.91 53.96 2jsx h ALA 35 Cb 1.08 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2jsx h ALA 35 CO 0.99 0.04 -0.54 0.08 0.00 0.00 0.00 179.25 179.82 2jsx s VAL 36 N -1.64 5.02 -0.06 0.00 1.01 -1.21 -4.96 120.40 118.56 2jsx s VAL 36 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2jsx s VAL 36 Cb -0.00 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.16 2jsx s VAL 36 CO 0.06 0.49 0.01 -0.44 0.00 0.00 0.00 175.10 175.23 2jsx s SER 37 N 0.06 1.31 -0.35 3.32 0.01 -1.26 -0.28 113.70 116.52 2jsx s SER 37 Ca 0.07 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2jsx s SER 37 Cb -0.12 -0.34 0.11 0.00 0.21 0.00 0.00 66.02 65.89 2jsx s SER 37 CO 0.00 -0.19 0.14 -1.81 0.41 0.00 0.00 173.24 171.79 2jsx s ASP 38 N 1.87 3.88 0.25 2.44 1.11 0.68 -5.01 116.67 121.89 2jsx s ASP 38 Ca 0.03 -1.96 -0.03 0.00 0.18 0.00 0.00 52.55 50.77 2jsx s ASP 38 Cb -0.12 -0.90 0.48 0.00 1.07 0.00 0.00 42.92 43.44 2jsx s ASP 38 CO -0.04 -0.37 1.77 0.00 1.18 0.00 0.00 175.17 177.71 2jsx h ALA 39 N 7.63 1.21 0.00 5.23 0.00 -1.92 0.16 119.26 131.56 2jsx h ALA 39 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jsx h ALA 39 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jsx h ALA 39 CO 0.46 -0.06 0.00 -0.35 0.00 0.00 0.00 179.25 179.31 2jsx n PRO 40 N -4.85 0.14 -0.00 0.00 -0.04 -1.26 -1.63 135.00 127.35 2jsx n PRO 40 Ca 0.15 0.60 0.04 0.00 -0.04 0.00 0.00 63.50 64.25 2jsx n PRO 40 Cb 0.38 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 2jsx n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jsx n SER 41 N -2.19 2.76 -0.86 3.54 2.88 -0.71 -4.97 113.62 114.07 2jsx n SER 41 Ca -0.01 -0.12 -0.09 0.00 -1.33 0.00 0.00 58.87 57.32 2jsx n SER 41 Cb 0.06 1.29 -0.02 0.00 -0.75 0.00 0.00 64.21 64.78 2jsx n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jsx n GLY 42 N 1.92 0.58 3.73 0.46 0.00 0.38 -4.82 105.19 107.43 2jsx n GLY 42 Ca -0.01 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2jsx n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsx s GLN 43 N -3.56 4.22 -0.17 1.61 0.74 -0.22 -0.90 119.66 121.38 2jsx s GLN 43 Ca 0.00 -0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.31 2jsx s GLN 43 Cb 0.00 -3.43 0.05 0.00 1.10 0.00 0.00 33.01 30.74 2jsx s GLN 43 CO 0.00 0.26 0.03 -0.51 -0.55 0.00 0.00 175.29 174.52 2jsx s LEU 44 N 0.44 1.06 -0.29 3.68 1.43 0.49 -0.23 118.68 125.25 2jsx s LEU 44 Ca 0.12 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 2jsx s LEU 44 Cb -0.12 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 2jsx s LEU 44 CO 0.01 -0.28 0.30 -0.63 0.23 0.00 0.00 176.35 175.97 2jsx s ILE 45 N 1.88 5.23 -0.13 -0.59 1.01 0.62 -0.13 121.20 129.09 2jsx s ILE 45 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 2jsx s ILE 45 Cb -0.16 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2jsx s ILE 45 CO -0.07 0.14 -0.04 -0.69 0.00 0.00 0.00 174.94 174.27 2jsx s VAL 46 N 1.93 3.89 -0.36 2.92 1.01 0.33 -0.38 120.40 129.73 2jsx s VAL 46 Ca 0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 2jsx s VAL 46 Cb -0.16 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2jsx s VAL 46 CO 0.11 0.53 0.20 -0.69 0.00 0.00 0.00 175.10 175.25 2jsx s VAL 47 N -0.01 4.67 -0.28 2.92 1.01 0.80 0.07 120.40 129.58 2jsx s VAL 47 Ca 0.01 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2jsx s VAL 47 Cb -0.13 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2jsx s VAL 47 CO 0.03 -0.17 0.13 -0.69 0.00 0.00 0.00 175.10 174.40 2jsx s VAL 48 N 1.59 4.74 -0.19 2.92 1.01 -0.14 -1.81 120.40 128.51 2jsx s VAL 48 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2jsx s VAL 48 Cb -0.19 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2jsx s VAL 48 CO 0.07 0.24 -0.10 -1.83 0.00 0.00 0.00 175.10 173.48 2jsx s GLU 49 N 1.67 3.29 0.07 2.72 -1.05 -0.11 -1.09 118.70 124.19 2jsx s GLU 49 Ca 0.06 -0.69 -0.06 0.00 -0.15 0.00 0.00 54.97 54.14 2jsx s GLU 49 Cb -0.16 -2.82 -0.01 0.00 -0.44 0.00 0.00 34.13 30.69 2jsx s GLU 49 CO 0.07 -0.10 0.11 0.00 0.95 0.00 0.00 175.26 176.28 2jsx s ALA 50 N 1.17 0.00 -0.13 -0.84 0.00 -0.49 -4.62 121.76 116.85 2jsx s ALA 50 Ca 0.02 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 2jsx s ALA 50 Cb -0.14 0.37 -0.15 0.00 0.00 0.00 0.00 23.12 23.20 2jsx s ALA 50 CO -0.03 -0.43 0.37 1.49 0.00 0.00 0.00 175.76 177.16 2jsx h GLU 51 N 3.07 0.00 -6.43 0.00 4.81 -1.94 0.22 114.58 114.30 2jsx h GLU 51 Ca -0.34 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.35 2jsx h GLU 51 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2jsx h GLU 51 CO 0.57 0.58 -0.01 -0.51 -0.73 0.00 0.00 179.01 178.91 2jsx s ASP 52 N -6.02 6.89 0.19 1.04 1.01 -1.26 -4.38 116.67 114.14 2jsx s ASP 52 Ca -0.13 1.20 -0.10 0.00 0.71 0.00 0.00 52.55 54.23 2jsx s ASP 52 Cb -0.01 -2.33 0.11 0.00 1.01 0.00 0.00 42.92 41.70 2jsx s ASP 52 CO 0.41 0.06 1.74 0.77 0.21 0.00 0.00 175.17 178.35 2jsx h SER 53 N 3.40 0.98 0.26 0.27 4.64 -1.98 0.29 113.55 121.40 2jsx h SER 53 Ca -0.48 -0.19 -0.20 0.00 -0.47 0.00 0.00 61.79 60.44 2jsx h SER 53 Cb 1.19 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2jsx h SER 53 CO 0.66 0.91 -0.82 1.05 -0.87 0.00 0.00 176.83 177.75 2jsx h GLU 54 N 0.99 0.44 -0.20 4.77 4.11 -1.99 -1.97 114.58 120.72 2jsx h GLU 54 Ca 0.22 -0.40 -0.10 0.00 0.07 0.00 0.00 59.36 59.16 2jsx h GLU 54 Cb 0.26 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jsx h GLU 54 CO -0.01 1.05 -0.29 1.15 0.07 0.00 0.00 179.01 180.98 2jsx h THR 55 N 0.28 1.27 -0.10 -1.06 2.02 -1.92 -1.73 112.91 111.66 2jsx h THR 55 Ca -0.05 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 65.84 2jsx h THR 55 Cb 1.43 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2jsx h THR 55 CO 0.14 0.40 0.02 0.25 0.37 0.00 0.00 175.52 176.70 2jsx h LEU 56 N 0.35 -0.00 -0.36 2.58 5.85 -0.62 -1.30 115.31 121.81 2jsx h LEU 56 Ca 0.05 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2jsx h LEU 56 Cb 0.69 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2jsx h LEU 56 CO 0.05 0.02 -0.01 0.40 -0.34 0.00 0.00 178.44 178.56 2jsx h ILE 57 N 0.06 0.73 -0.87 4.05 1.08 -0.90 0.10 117.51 121.76 2jsx h ILE 57 Ca 0.04 -0.03 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 2jsx h ILE 57 Cb 0.04 0.63 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 2jsx h ILE 57 CO -0.06 0.02 0.56 1.56 -0.69 0.00 0.00 178.15 179.53 2jsx h GLN 58 N 0.09 1.02 -0.34 2.37 4.20 -1.06 0.23 115.11 121.63 2jsx h GLN 58 Ca 0.17 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.67 2jsx h GLN 58 Cb 0.24 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2jsx h GLN 58 CO -0.29 0.68 -0.39 1.15 -0.67 0.00 0.00 178.83 179.30 2jsx h THR 59 N 1.06 1.28 -0.58 -0.54 2.02 -0.36 -0.38 112.91 115.41 2jsx h THR 59 Ca 0.36 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.93 2jsx h THR 59 Cb 0.07 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2jsx h THR 59 CO -0.14 0.51 0.19 0.40 0.37 0.00 0.00 175.52 176.86 2jsx h ILE 60 N 0.66 1.24 -0.70 3.11 2.04 -0.07 -2.12 117.51 121.67 2jsx h ILE 60 Ca 0.05 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2jsx h ILE 60 Cb 0.96 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2jsx h ILE 60 CO 0.09 0.30 0.36 -0.08 0.00 0.00 0.00 178.15 178.82 2jsx h GLU 61 N 0.82 0.99 -0.52 2.37 4.57 -0.31 -1.05 114.58 121.45 2jsx h GLU 61 Ca 0.19 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.28 2jsx h GLU 61 Cb 0.27 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 2jsx h GLU 61 CO -0.01 0.75 0.28 0.77 -1.18 0.00 0.00 179.01 179.62 2jsx h SER 62 N 0.99 0.43 -0.68 1.04 0.02 -0.59 -1.00 113.55 113.75 2jsx h SER 62 Ca 0.25 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2jsx h SER 62 Cb 0.07 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2jsx h SER 62 CO -0.04 0.30 0.38 0.58 -1.14 0.00 0.00 176.83 176.91 2jsx h VAL 63 N 0.56 1.21 0.00 2.27 2.07 -0.71 -1.31 116.25 120.35 2jsx h VAL 63 Ca 0.22 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2jsx h VAL 63 Cb 0.08 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2jsx h VAL 63 CO -0.13 0.24 0.00 0.54 0.02 0.00 0.00 177.57 178.24 2jsx n ARG 64 N -4.36 0.02 -0.13 1.57 1.74 -0.48 -2.80 116.66 112.22 2jsx n ARG 64 Ca 0.07 0.12 0.06 0.00 -0.77 0.00 0.00 57.85 57.33 2jsx n ARG 64 Cb 0.10 -1.53 0.18 0.00 -1.02 0.00 0.00 32.46 30.19 2jsx n ARG 64 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jsx n ASN 65 N -1.57 1.54 -4.75 0.55 3.02 -0.49 -4.79 115.26 108.77 2jsx n ASN 65 Ca 0.05 -1.94 -0.39 0.00 -0.03 0.00 0.00 54.58 52.28 2jsx n ASN 65 Cb 0.28 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 2jsx n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jsx s VAL 66 N -1.65 4.98 -0.32 2.41 1.01 -1.12 -5.02 120.40 120.69 2jsx s VAL 66 Ca 0.22 1.22 -0.27 0.00 0.00 0.00 0.00 61.98 63.15 2jsx s VAL 66 Cb 0.11 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2jsx s VAL 66 CO 0.16 0.38 0.96 -0.70 0.00 0.00 0.00 175.10 175.89 2jsx s GLU 67 N 0.10 4.01 0.00 2.72 2.12 -1.26 -3.74 118.70 122.65 2jsx s GLU 67 Ca 0.31 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.50 2jsx s GLU 67 Cb -0.18 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.48 2jsx s GLU 67 CO 0.16 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.47 2jsx n GLY 68 N 4.02 0.41 3.79 -1.50 0.00 -1.26 -5.00 105.19 105.65 2jsx n GLY 68 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2jsx n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jsx s VAL 69 N 0.00 4.40 -0.09 1.61 1.01 -1.25 -2.00 120.40 124.08 2jsx s VAL 69 Ca 0.00 1.58 -0.00 0.00 0.00 0.00 0.00 61.98 63.55 2jsx s VAL 69 Cb 0.00 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2jsx s VAL 69 CO 0.00 0.28 -0.09 0.18 0.00 0.00 0.00 175.10 175.47 2jsx n LEU 70 N 0.94 2.57 -3.77 3.92 4.77 0.16 -4.94 117.00 120.64 2jsx n LEU 70 Ca -0.02 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 2jsx n LEU 70 Cb 0.50 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 2jsx n LEU 70 CO 0.44 0.57 -0.17 0.00 -1.33 0.00 0.00 177.39 176.91 2jsx s ALA 71 N -2.18 -0.44 -0.25 -1.18 0.00 -0.93 -4.98 121.76 111.79 2jsx s ALA 71 Ca -0.13 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.54 2jsx s ALA 71 Cb 0.04 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.79 2jsx s ALA 71 CO 0.21 -0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.81 2jsx s VAL 72 N 0.64 2.08 -0.21 0.00 1.01 -1.26 -0.17 120.40 122.49 2jsx s VAL 72 Ca -0.04 -1.55 -0.14 0.00 0.00 0.00 0.00 61.98 60.24 2jsx s VAL 72 Cb -0.06 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2jsx s VAL 72 CO -0.03 -0.01 0.32 -0.55 0.00 0.00 0.00 175.10 174.82 2jsx s SER 73 N 1.15 6.33 -0.49 3.32 0.15 -0.26 -4.94 113.70 118.96 2jsx s SER 73 Ca -0.08 0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.77 2jsx s SER 73 Cb -0.20 -2.19 0.06 0.00 -1.71 0.00 0.00 66.02 61.99 2jsx s SER 73 CO -0.06 -0.02 0.53 -0.22 1.20 0.00 0.00 173.24 174.67 2jsx s LEU 74 N 1.20 5.22 -1.01 3.45 0.20 -1.26 -1.09 118.68 125.39 2jsx s LEU 74 Ca 0.15 -1.06 -0.16 0.00 0.69 0.00 0.00 54.13 53.74 2jsx s LEU 74 Cb -0.14 -2.34 0.16 0.00 -0.43 0.00 0.00 46.19 43.44 2jsx s LEU 74 CO 0.07 -0.79 1.18 -0.69 -0.29 0.00 0.00 176.35 175.83 2jsx s VAL 75 N 2.23 4.98 -0.05 1.68 1.01 0.14 -4.93 120.40 125.46 2jsx s VAL 75 Ca 0.11 -2.08 -0.04 0.00 0.00 0.00 0.00 61.98 59.97 2jsx s VAL 75 Cb -0.21 -4.78 0.02 0.00 0.00 0.00 0.00 36.38 31.41 2jsx s VAL 75 CO 0.10 -1.47 0.13 -0.47 0.00 0.00 0.00 175.10 173.39 2jsx s TYR 76 N 1.88 -0.15 0.26 5.22 5.04 -1.26 -1.25 117.35 127.10 2jsx s TYR 76 Ca 0.34 0.36 -0.21 0.00 -2.44 0.00 0.00 57.07 55.12 2jsx s TYR 76 Cb -0.05 0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.34 2jsx s TYR 76 CO -0.07 -0.08 0.81 -3.38 -1.34 0.00 0.00 175.55 171.50 2jsx s HIS 77 N 0.18 -0.10 0.36 4.97 -3.43 -1.26 -5.11 115.29 110.89 2jsx s HIS 77 Ca -0.01 -0.36 0.07 0.00 -0.80 0.00 0.00 55.06 53.96 2jsx s HIS 77 Cb -0.02 0.72 -0.01 0.00 -1.43 0.00 0.00 32.58 31.84 2jsx s HIS 77 CO -0.00 -1.19 0.47 -0.65 -2.00 0.00 0.00 174.74 171.37 2jsx s GLN 78 N -3.34 3.00 -0.03 -0.38 -1.52 -1.26 -5.10 119.66 111.02 2jsx s GLN 78 Ca 0.13 -1.11 0.00 0.00 -1.95 0.00 0.00 55.36 52.43 2jsx s GLN 78 Cb -0.05 -2.76 0.03 0.00 -0.22 0.00 0.00 33.01 30.01 2jsx s GLN 78 CO 0.07 -0.02 0.00 1.14 -0.25 0.00 0.00 175.29 176.23 2jsx s GLN 79 N -4.20 0.28 0.03 2.91 -2.07 -1.26 -5.00 119.66 110.35 2jsx s GLN 79 Ca 0.47 0.08 0.00 0.00 -1.82 0.00 0.00 55.36 54.09 2jsx s GLN 79 Cb -0.09 -0.47 0.00 0.00 -1.09 0.00 0.00 33.01 31.36 2jsx s GLN 79 CO 0.31 -0.14 0.00 -1.91 -1.32 0.00 0.00 175.29 172.23 2jsx n GLU 80 N 4.14 0.00 0.07 9.60 4.07 -1.26 -4.42 120.64 132.85 2jsx n GLU 80 Ca -0.27 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 56.95 2jsx n GLU 80 Cb 0.50 -0.17 0.08 0.00 -0.06 0.00 0.00 31.44 31.79 2jsx n GLU 80 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2jsx h GLU 81 N 0.00 0.00 -5.06 5.31 5.08 -1.95 -3.26 114.58 114.70 2jsx h GLU 81 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2jsx h GLU 81 Cb 0.30 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.25 2jsx h GLU 81 CO 0.00 0.00 -0.81 -0.65 -1.00 0.00 0.00 179.01 176.55 2jsx s GLN 82 N -3.25 1.24 0.46 2.33 -0.21 -1.26 -4.85 119.66 114.11 2jsx s GLN 82 Ca 0.03 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.95 2jsx s GLN 82 Cb 0.12 -1.14 0.00 0.00 1.00 0.00 0.00 33.01 32.98 2jsx s GLN 82 CO 0.76 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 174.57 2jsx n GLY 83 N 3.01 2.39 3.16 3.09 0.00 -1.26 -4.54 105.19 111.04 2jsx n GLY 83 Ca -0.16 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 2jsx n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jsx n GLU 84 N 0.00 3.93 -2.85 1.61 4.07 -1.26 -4.96 120.64 121.17 2jsx n GLU 84 Ca 0.00 -4.33 -0.42 0.00 -0.06 0.00 0.00 57.16 52.35 2jsx n GLU 84 Cb 0.00 -2.63 -0.04 0.00 -0.06 0.00 0.00 31.44 28.72 2jsx n GLU 84 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2jsx s GLU 85 N -1.45 4.33 -0.50 5.31 2.02 -1.23 -4.01 118.70 123.18 2jsx s GLU 85 Ca 0.33 1.09 0.03 0.00 0.02 0.00 0.00 54.97 56.45 2jsx s GLU 85 Cb -0.01 -3.56 0.14 0.00 0.10 0.00 0.00 34.13 30.80 2jsx s GLU 85 CO 0.02 -0.30 0.27 0.99 0.02 0.00 0.00 175.26 176.26 2jsx s THR 86 N 2.03 2.14 0.13 3.63 2.01 -1.26 -4.94 115.64 119.39 2jsx s THR 86 Ca 0.40 -3.10 -0.08 0.00 0.31 0.00 0.00 61.69 59.22 2jsx s THR 86 Cb -0.17 -2.48 -0.13 0.00 0.01 0.00 0.00 72.50 69.73 2jsx s THR 86 CO 0.14 -0.86 1.37 -0.65 -0.69 0.00 0.00 174.62 173.93 2jsx h PRO 87 N 6.49 0.67 -6.06 4.92 0.11 -1.95 -3.35 132.00 132.83 2jsx h PRO 87 Ca -0.03 -0.52 -0.59 0.00 0.11 0.00 0.00 66.00 64.96 2jsx h PRO 87 Cb 0.89 0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 2jsx h PRO 87 CO 0.61 1.14 1.54 1.03 -0.21 0.00 0.00 178.00 182.12 2jsx s ARG 88 N -3.76 3.58 0.93 1.05 0.52 -1.26 -4.98 118.95 115.03 2jsx s ARG 88 Ca -0.09 -1.18 -0.16 0.00 -0.52 0.00 0.00 55.73 53.78 2jsx s ARG 88 Cb 0.09 -5.37 0.22 0.00 0.52 0.00 0.00 34.95 30.42 2jsx s ARG 88 CO 0.88 -2.28 1.14 0.43 0.02 0.00 0.00 175.30 175.49 2jsx n SER 89 N 9.10 -0.45 -4.76 0.23 7.64 -1.26 -4.98 113.62 119.15 2jsx n SER 89 Ca 0.35 -1.34 -0.41 0.00 1.01 0.00 0.00 58.87 58.48 2jsx n SER 89 Cb 0.50 -0.91 -0.01 0.00 -1.01 0.00 0.00 64.21 62.78 2jsx n SER 89 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jsx s HIS 90 N -3.39 2.83 -0.12 1.43 0.09 -1.26 -4.95 115.29 109.93 2jsx s HIS 90 Ca 0.66 1.11 -0.06 0.00 -0.00 0.00 0.00 55.06 56.77 2jsx s HIS 90 Cb -0.03 -3.91 -0.04 0.00 -0.00 0.00 0.00 32.58 28.60 2jsx s HIS 90 CO 0.48 -2.79 0.06 0.45 -0.00 0.00 0.00 174.74 172.94 2jsx h HIS 91 N 3.97 0.00 -1.27 1.40 3.86 -2.04 -3.40 115.15 117.66 2jsx h HIS 91 Ca -0.48 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.08 2jsx h HIS 91 Cb 1.23 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.59 2jsx h HIS 91 CO 0.57 0.16 1.62 -1.01 0.86 0.00 0.00 177.93 180.13 2jsx s HIS 92 N -1.78 2.75 -0.61 2.45 3.76 -1.26 -4.92 115.29 115.67 2jsx s HIS 92 Ca -0.06 -1.24 -0.20 0.00 -0.15 0.00 0.00 55.06 53.41 2jsx s HIS 92 Cb 0.00 -4.64 0.09 0.00 1.11 0.00 0.00 32.58 29.14 2jsx s HIS 92 CO 0.14 -1.81 0.81 -1.58 -0.85 0.00 0.00 174.74 171.45 2jsx s HIS 93 N 4.23 2.87 -0.06 1.40 2.46 -1.26 -4.75 115.29 120.18 2jsx s HIS 93 Ca 0.47 -0.77 0.08 0.00 0.47 0.00 0.00 55.06 55.31 2jsx s HIS 93 Cb 0.00 -4.11 0.12 0.00 -0.13 0.00 0.00 32.58 28.47 2jsx s HIS 93 CO -0.04 -1.43 1.04 0.72 -2.47 0.00 0.00 174.74 172.57 2jsx n HIS 94 N 6.88 0.00 -0.55 3.88 8.25 -1.26 -5.21 115.22 127.21 2jsx n HIS 94 Ca -0.07 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 2jsx n HIS 94 Cb 0.44 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2jsx n HIS 94 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56