#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jba s ARG 3 N 0.00 4.42 -0.19 0.00 0.52 -1.26 -4.56 118.95 117.87 2jba s ARG 3 Ca 0.00 1.99 -0.21 0.00 -0.52 0.00 0.00 55.73 57.00 2jba s ARG 3 Cb 0.00 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 2jba s ARG 3 CO 0.00 -0.21 0.62 0.50 0.02 0.00 0.00 175.30 176.23 2jba s ARG 4 N -0.09 4.22 -0.21 3.54 3.52 -1.26 -0.30 118.95 128.37 2jba s ARG 4 Ca 0.56 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.78 2jba s ARG 4 Cb -0.35 -3.57 0.03 0.00 -1.56 0.00 0.00 34.95 29.50 2jba s ARG 4 CO 0.37 -0.22 -0.16 0.42 -0.81 0.00 0.00 175.30 174.90 2jba s ILE 5 N 1.85 2.22 -0.29 4.11 -1.09 -0.34 -0.15 121.20 127.51 2jba s ILE 5 Ca 0.29 -1.09 -0.24 0.00 -2.23 0.00 0.00 60.65 57.38 2jba s ILE 5 Cb -0.16 -2.04 -0.00 0.00 -1.58 0.00 0.00 42.46 38.68 2jba s ILE 5 CO 0.10 0.37 0.79 -0.22 -1.23 0.00 0.00 174.94 174.76 2jba s LEU 6 N 1.26 4.08 -0.43 2.97 2.96 -0.58 -0.49 118.68 128.44 2jba s LEU 6 Ca 0.01 0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 54.61 2jba s LEU 6 Cb -0.15 -3.10 0.10 0.00 0.50 0.00 0.00 46.19 43.54 2jba s LEU 6 CO -0.10 -0.57 0.28 -0.69 -1.32 0.00 0.00 176.35 173.95 2jba s VAL 7 N 2.91 4.12 -0.62 1.68 1.01 0.19 -0.65 120.40 129.04 2jba s VAL 7 Ca 0.33 -1.59 -0.12 0.00 0.00 0.00 0.00 61.98 60.60 2jba s VAL 7 Cb -0.14 -3.61 0.16 0.00 0.00 0.00 0.00 36.38 32.78 2jba s VAL 7 CO 0.11 -0.61 0.53 -0.69 0.00 0.00 0.00 175.10 174.43 2jba s VAL 8 N 1.38 4.82 -0.22 2.92 1.01 0.43 -1.03 120.40 129.70 2jba s VAL 8 Ca 0.04 -2.08 -0.09 0.00 0.00 0.00 0.00 61.98 59.85 2jba s VAL 8 Cb -0.24 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.15 2jba s VAL 8 CO 0.00 -0.89 0.49 -0.70 0.00 0.00 0.00 175.10 174.00 2jba s GLU 9 N 0.86 0.42 0.08 2.72 2.56 -0.77 -0.90 118.70 123.68 2jba s GLU 9 Ca 0.10 1.10 0.25 0.00 0.00 0.00 0.00 54.97 56.42 2jba s GLU 9 Cb -0.22 0.37 0.44 0.00 2.00 0.00 0.00 34.13 36.73 2jba s GLU 9 CO -0.03 -0.22 1.38 -0.40 -0.56 0.00 0.00 175.26 175.44 2jba n ASP 10 N 5.12 0.61 -4.55 -1.70 5.75 -1.26 -4.43 116.55 116.09 2jba n ASP 10 Ca -0.13 0.05 -0.41 0.00 -0.01 0.00 0.00 54.79 54.29 2jba n ASP 10 Cb 0.51 0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 2jba n ASP 10 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jba s GLU 11 N -3.11 3.24 0.18 0.11 2.56 -1.26 -4.91 118.70 115.49 2jba s GLU 11 Ca 0.08 -0.18 -0.14 0.00 0.00 0.00 0.00 54.97 54.73 2jba s GLU 11 Cb 0.15 -4.16 0.15 0.00 2.00 0.00 0.00 34.13 32.27 2jba s GLU 11 CO 0.70 -2.08 1.70 0.00 -0.56 0.00 0.00 175.26 175.03 2jba h ALA 12 N 9.95 0.45 -0.75 6.30 0.00 -1.98 -0.59 119.26 132.64 2jba h ALA 12 Ca -0.28 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2jba h ALA 12 Cb 1.05 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2jba h ALA 12 CO 1.27 -0.36 0.50 -1.35 0.00 0.00 0.00 179.25 179.30 2jba h PRO 13 N 0.15 0.84 -0.10 0.00 0.11 -1.98 0.05 132.00 131.07 2jba h PRO 13 Ca 0.23 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 2jba h PRO 13 Cb 0.32 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2jba h PRO 13 CO -0.35 0.55 -0.29 0.82 -0.21 0.00 0.00 178.00 178.53 2jba h ILE 14 N 0.86 1.40 -0.81 4.15 1.08 -1.76 -1.44 117.51 120.99 2jba h ILE 14 Ca 0.31 -1.63 0.06 0.00 -0.39 0.00 0.00 64.86 63.22 2jba h ILE 14 Cb 0.15 2.19 -0.06 0.00 -3.07 0.00 0.00 36.82 36.03 2jba h ILE 14 CO -0.10 0.47 0.50 -0.09 -0.69 0.00 0.00 178.15 178.24 2jba h ARG 15 N -0.09 0.88 -0.21 2.37 2.43 -0.77 -0.55 114.38 118.43 2jba h ARG 15 Ca -0.01 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 2jba h ARG 15 Cb 0.91 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2jba h ARG 15 CO 0.06 0.58 -0.52 0.93 -1.51 0.00 0.00 179.97 179.51 2jba h GLU 16 N 0.90 0.60 -0.29 0.20 5.08 -0.95 -1.67 114.58 118.46 2jba h GLU 16 Ca 0.36 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jba h GLU 16 Cb 0.18 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2jba h GLU 16 CO -0.18 0.97 0.15 1.98 -1.00 0.00 0.00 179.01 180.94 2jba h MET 17 N 0.47 0.42 -0.24 2.33 4.05 -0.86 -0.51 114.93 120.58 2jba h MET 17 Ca 0.02 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2jba h MET 17 Cb 1.06 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 2jba h MET 17 CO 0.10 0.38 0.16 0.28 0.23 0.00 0.00 176.91 178.06 2jba h VAL 18 N 0.35 1.06 -0.53 -5.77 2.07 -0.92 -1.44 116.25 111.07 2jba h VAL 18 Ca 0.10 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 2jba h VAL 18 Cb 0.09 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2jba h VAL 18 CO -0.01 0.06 0.06 0.00 0.02 0.00 0.00 177.57 177.69 2jba h PHE 20 N 0.81 0.43 -0.22 0.00 3.04 -0.74 -0.05 116.94 120.20 2jba h PHE 20 Ca 0.17 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 2jba h PHE 20 Cb 0.40 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2jba h PHE 20 CO 0.02 0.40 0.05 0.28 -2.02 0.00 0.00 178.31 177.04 2jba h VAL 21 N 0.33 1.21 -0.65 1.41 2.07 -1.03 -2.53 116.25 117.06 2jba h VAL 21 Ca 0.10 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 2jba h VAL 21 Cb 0.14 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2jba h VAL 21 CO -0.01 0.21 0.13 -0.07 0.02 0.00 0.00 177.57 177.86 2jba h LEU 22 N 0.18 1.02 -0.73 2.57 3.38 -1.05 -2.26 115.31 118.42 2jba h LEU 22 Ca 0.07 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2jba h LEU 22 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jba h LEU 22 CO 0.00 1.00 0.05 -0.08 0.09 0.00 0.00 178.44 179.51 2jba h GLU 23 N 0.99 1.02 0.00 1.13 4.81 -0.97 -1.14 114.58 120.42 2jba h GLU 23 Ca 0.20 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2jba h GLU 23 Cb 0.40 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2jba h GLU 23 CO 0.01 0.97 0.00 1.96 -0.73 0.00 0.00 179.01 181.22 2jba h GLN 24 N 0.95 0.00 -0.60 1.92 1.08 -1.27 -2.63 115.11 114.56 2jba h GLN 24 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2jba h GLN 24 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2jba h GLN 24 CO 0.02 0.00 0.00 -1.71 -0.95 0.00 0.00 178.83 176.19 2jba n ASN 25 N -2.80 3.34 0.00 1.46 2.85 -0.83 -4.94 115.26 114.34 2jba n ASN 25 Ca 0.02 -1.99 0.00 0.00 -0.11 0.00 0.00 54.58 52.50 2jba n ASN 25 Cb 0.33 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 40.95 2jba n ASN 25 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jba n GLY 26 N 1.50 0.78 3.78 8.20 0.00 -0.99 -5.04 105.19 113.41 2jba n GLY 26 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2jba n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jba s PHE 27 N -3.09 2.57 -0.61 1.61 0.08 -0.49 -0.18 117.98 117.87 2jba s PHE 27 Ca 0.00 0.98 -0.03 0.00 0.12 0.00 0.00 56.93 58.01 2jba s PHE 27 Cb 0.00 -3.28 0.16 0.00 -0.57 0.00 0.00 43.02 39.33 2jba s PHE 27 CO 0.00 -2.21 0.43 -1.14 -0.10 0.00 0.00 175.22 172.20 2jba s GLN 28 N -5.19 2.54 0.39 0.44 0.74 0.58 -4.26 119.66 114.90 2jba s GLN 28 Ca 0.63 -2.49 -0.24 0.00 0.05 0.00 0.00 55.36 53.31 2jba s GLN 28 Cb -0.15 -3.73 -0.09 0.00 1.10 0.00 0.00 33.01 30.14 2jba s GLN 28 CO 0.54 -1.17 1.05 -1.25 -0.55 0.00 0.00 175.29 173.91 2jba s PRO 29 N 0.01 4.21 -0.10 1.67 0.04 -1.26 -1.19 135.00 138.37 2jba s PRO 29 Ca 0.16 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2jba s PRO 29 Cb -0.20 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 31.77 2jba s PRO 29 CO -0.03 -0.11 -0.12 0.08 0.04 0.00 0.00 177.00 176.86 2jba s VAL 30 N -1.63 1.23 0.06 -0.36 1.01 0.35 -4.87 120.40 116.19 2jba s VAL 30 Ca 0.57 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 2jba s VAL 30 Cb -0.22 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 2jba s VAL 30 CO 0.28 0.39 0.69 -1.61 0.00 0.00 0.00 175.10 174.85 2jba s GLU 31 N 1.20 4.41 -0.17 2.72 2.02 -1.26 -0.64 118.70 126.97 2jba s GLU 31 Ca -0.04 0.93 -0.03 0.00 0.02 0.00 0.00 54.97 55.86 2jba s GLU 31 Cb -0.14 -3.32 0.05 0.00 0.10 0.00 0.00 34.13 30.83 2jba s GLU 31 CO -0.03 0.42 0.03 0.00 0.02 0.00 0.00 175.26 175.70 2jba s ALA 32 N -0.48 0.91 -0.96 5.21 0.00 -0.20 -4.91 121.76 121.33 2jba s ALA 32 Ca 0.34 -0.57 0.26 0.00 0.00 0.00 0.00 51.96 51.99 2jba s ALA 32 Cb -0.20 -1.09 0.63 0.00 0.00 0.00 0.00 23.12 22.45 2jba s ALA 32 CO 0.21 -1.05 1.50 -0.85 0.00 0.00 0.00 175.76 175.58 2jba n GLU 33 N 5.08 0.03 -3.97 0.00 0.28 -1.26 -1.85 120.64 118.96 2jba n GLU 33 Ca -0.08 0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.80 2jba n GLU 33 Cb 0.48 -1.52 -0.01 0.00 1.43 0.00 0.00 31.44 31.82 2jba n GLU 33 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2jba s ASP 34 N -3.14 0.61 0.04 -1.84 1.47 -1.26 -4.13 116.67 108.43 2jba s ASP 34 Ca 0.11 -1.40 -0.24 0.00 1.18 0.00 0.00 52.55 52.20 2jba s ASP 34 Cb 0.17 0.77 -0.17 0.00 -0.34 0.00 0.00 42.92 43.35 2jba s ASP 34 CO 0.67 -1.51 1.54 0.22 0.68 0.00 0.00 175.17 176.77 2jba h TYR 35 N 2.04 -0.00 -0.62 2.11 3.20 -1.58 -2.39 116.97 119.73 2jba h TYR 35 Ca -0.30 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.51 2jba h TYR 35 Cb 1.24 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 2jba h TYR 35 CO 1.58 0.20 0.18 -0.44 -1.64 0.00 0.00 178.16 178.04 2jba h ASP 36 N -0.21 0.87 -0.87 -2.11 3.32 -1.88 -1.50 116.42 114.05 2jba h ASP 36 Ca -0.00 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.94 2jba h ASP 36 Cb 0.20 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 2jba h ASP 36 CO 0.00 0.83 0.57 0.28 -1.72 0.00 0.00 179.24 179.20 2jba h SER 37 N 0.91 0.93 -0.07 6.45 0.02 -1.93 0.04 113.55 119.89 2jba h SER 37 Ca 0.20 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2jba h SER 37 Cb 0.28 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2jba h SER 37 CO -0.01 0.64 -0.02 0.00 -1.14 0.00 0.00 176.83 176.29 2jba h ALA 38 N 1.49 0.10 -0.92 3.77 0.00 -0.83 -2.95 119.26 119.93 2jba h ALA 38 Ca 0.35 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jba h ALA 38 Cb 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2jba h ALA 38 CO -0.11 -0.17 0.60 0.28 0.00 0.00 0.00 179.25 179.86 2jba h VAL 39 N -0.20 1.15 0.00 0.00 2.07 -1.00 -1.78 116.25 116.49 2jba h VAL 39 Ca 0.02 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2jba h VAL 39 Cb 0.44 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2jba h VAL 39 CO 0.01 0.21 0.00 0.59 0.02 0.00 0.00 177.57 178.40 2jba n ASN 40 N -4.44 0.48 -1.01 0.57 3.02 -0.03 -1.77 115.26 112.08 2jba n ASN 40 Ca 0.12 0.65 0.12 0.00 -0.03 0.00 0.00 54.58 55.44 2jba n ASN 40 Cb 0.10 -0.74 0.24 0.00 -0.61 0.00 0.00 39.78 38.77 2jba n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jba n GLN 41 N -2.06 2.33 -2.51 3.52 1.13 -0.67 -4.63 117.38 114.48 2jba n GLN 41 Ca 0.01 -1.99 -0.43 0.00 -1.94 0.00 0.00 57.00 52.65 2jba n GLN 41 Cb 0.15 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.02 2jba n GLN 41 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jba n LEU 42 N 1.23 6.45 -3.97 1.08 4.77 -0.73 -4.67 117.00 121.17 2jba n LEU 42 Ca 0.18 -4.71 -0.09 0.00 -0.03 0.00 0.00 56.01 51.36 2jba n LEU 42 Cb 0.55 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.14 2jba n LEU 42 CO 0.15 1.35 0.26 0.54 -1.33 0.00 0.00 177.39 178.36 2jba s ASN 43 N 0.73 -0.01 0.11 -1.43 2.20 -1.26 -5.07 114.94 110.21 2jba s ASN 43 Ca 0.39 -0.95 -0.31 0.00 -0.94 0.00 0.00 52.86 51.05 2jba s ASN 43 Cb 0.07 0.64 -0.08 0.00 -2.00 0.00 0.00 41.25 39.89 2jba s ASN 43 CO 0.02 -1.24 1.35 -0.70 -2.94 0.00 0.00 177.10 173.59 2jba s GLU 44 N -3.76 4.35 0.08 3.55 2.12 -1.26 -2.21 118.70 121.56 2jba s GLU 44 Ca 0.21 2.02 -0.30 0.00 0.36 0.00 0.00 54.97 57.25 2jba s GLU 44 Cb -0.02 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 2jba s GLU 44 CO 0.10 -0.39 1.01 -1.25 -0.54 0.00 0.00 175.26 174.19 2jba s PRO 45 N 0.98 4.62 0.59 4.30 0.04 -1.26 -5.15 135.00 139.12 2jba s PRO 45 Ca 0.63 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2jba s PRO 45 Cb -0.35 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 2jba s PRO 45 CO 0.31 0.07 1.09 -1.58 0.04 0.00 0.00 177.00 176.93 2jba s TRP 46 N 0.38 2.80 0.48 0.56 0.51 -0.94 -5.01 118.94 117.72 2jba s TRP 46 Ca 0.50 1.54 -0.23 0.00 -2.12 0.00 0.00 56.10 55.79 2jba s TRP 46 Cb -0.24 -3.13 -0.07 0.00 -0.81 0.00 0.00 33.47 29.23 2jba s TRP 46 CO 0.30 -1.38 1.25 -2.14 -0.51 0.00 0.00 176.95 174.47 2jba s PRO 47 N -3.83 3.59 0.26 4.98 0.02 -1.26 -4.82 135.00 133.94 2jba s PRO 47 Ca 0.67 2.00 0.17 0.00 0.02 0.00 0.00 61.00 63.86 2jba s PRO 47 Cb -0.19 -2.42 0.07 0.00 0.02 0.00 0.00 34.50 31.98 2jba s PRO 47 CO 0.35 -0.76 1.33 -0.44 -0.33 0.00 0.00 177.00 177.15 2jba h ASP 48 N 1.96 0.00 -4.82 2.53 5.19 -0.92 -3.47 116.42 116.89 2jba h ASP 48 Ca -0.50 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.85 2jba h ASP 48 Cb 1.26 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.58 2jba h ASP 48 CO 0.60 0.38 0.13 -0.22 -3.12 0.00 0.00 179.24 177.01 2jba s LEU 49 N -6.20 -0.53 -0.14 1.55 0.20 -1.16 -4.30 118.68 108.09 2jba s LEU 49 Ca 0.03 0.78 0.02 0.00 0.69 0.00 0.00 54.13 55.66 2jba s LEU 49 Cb 0.07 2.40 0.01 0.00 -0.43 0.00 0.00 46.19 48.25 2jba s LEU 49 CO 0.75 -0.53 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.43 2jba s ILE 50 N -0.93 2.06 -0.20 6.68 1.01 -0.13 -1.53 121.20 128.15 2jba s ILE 50 Ca -0.09 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 2jba s ILE 50 Cb -0.01 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2jba s ILE 50 CO 0.08 0.55 0.18 -0.76 0.00 0.00 0.00 174.94 174.99 2jba s LEU 51 N 0.82 4.19 -0.08 2.97 1.43 0.18 -0.58 118.68 127.61 2jba s LEU 51 Ca -0.07 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2jba s LEU 51 Cb -0.15 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.94 2jba s LEU 51 CO -0.02 0.13 0.01 -0.22 0.23 0.00 0.00 176.35 176.48 2jba s LEU 52 N 0.58 0.56 0.63 1.79 2.96 -0.10 -0.43 118.68 124.67 2jba s LEU 52 Ca 0.10 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.75 2jba s LEU 52 Cb -0.12 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 2jba s LEU 52 CO 0.01 -0.21 1.07 0.00 -1.32 0.00 0.00 176.35 175.89 2jba s ALA 53 N 1.99 2.67 0.26 5.97 0.00 -0.08 -0.69 121.76 131.89 2jba s ALA 53 Ca 0.05 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.39 2jba s ALA 53 Cb -0.13 -3.23 0.35 0.00 0.00 0.00 0.00 23.12 20.11 2jba s ALA 53 CO -0.05 -0.99 1.64 -1.49 0.00 0.00 0.00 175.76 174.87 2jba h TRP 54 N 0.10 0.40 -3.68 0.00 4.06 -1.91 -3.30 115.95 111.61 2jba h TRP 54 Ca -0.46 -0.12 -0.25 0.00 2.06 0.00 0.00 58.89 60.12 2jba h TRP 54 Cb 1.22 -0.08 -0.30 0.00 -1.00 0.00 0.00 29.16 29.00 2jba h TRP 54 CO 0.59 0.73 -0.72 1.41 -3.56 0.00 0.00 178.44 176.88 2jba s MET 55 N -4.09 0.01 0.14 0.49 1.75 -1.26 -0.56 119.30 115.78 2jba s MET 55 Ca -0.05 0.04 0.05 0.00 -1.25 0.00 0.00 55.69 54.48 2jba s MET 55 Cb 0.13 -0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.67 2jba s MET 55 CO 0.79 -0.04 -0.11 -0.51 -0.65 0.00 0.00 175.02 174.50 2jba s LEU 56 N 0.29 2.50 0.11 4.11 1.43 -0.77 -4.76 118.68 121.59 2jba s LEU 56 Ca -0.02 -0.96 -0.34 0.00 -1.03 0.00 0.00 54.13 51.78 2jba s LEU 56 Cb -0.04 -0.36 -0.13 0.00 0.03 0.00 0.00 46.19 45.69 2jba s LEU 56 CO -0.01 -0.30 1.67 -2.65 0.23 0.00 0.00 176.35 175.29 2jba n PRO 57 N -0.01 2.23 0.00 1.29 -0.02 -1.26 -2.71 135.00 134.52 2jba n PRO 57 Ca -0.12 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2jba n PRO 57 Cb 0.60 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2jba n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jba n GLY 58 N 3.71 1.84 0.00 -1.23 0.00 -1.26 -1.56 105.19 106.69 2jba n GLY 58 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2jba n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jba n GLY 59 N -2.00 2.04 3.97 -0.02 0.00 -1.10 -4.81 105.19 103.27 2jba n GLY 59 Ca 0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 2jba n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jba s SER 60 N 0.00 6.07 0.21 1.61 1.04 -1.26 -1.85 113.70 119.52 2jba s SER 60 Ca 0.00 0.12 -0.09 0.00 0.48 0.00 0.00 55.95 56.46 2jba s SER 60 Cb 0.00 -1.61 0.25 0.00 0.10 0.00 0.00 66.02 64.77 2jba s SER 60 CO 0.00 -0.40 1.78 1.23 0.98 0.00 0.00 173.24 176.83 2jba h GLY 61 N 0.79 0.92 0.90 7.32 0.00 -0.91 -1.18 103.07 110.90 2jba h GLY 61 Ca -0.48 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 46.67 2jba h GLY 61 CO 0.57 0.08 0.43 -2.22 0.00 0.00 0.00 176.54 175.41 2jba h ILE 62 N 0.56 1.11 -0.57 2.60 1.08 -1.88 0.13 117.51 120.54 2jba h ILE 62 Ca 0.30 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2jba h ILE 62 Cb 0.26 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.16 2jba h ILE 62 CO -0.23 0.16 0.36 -0.61 -0.69 0.00 0.00 178.15 177.14 2jba h GLN 63 N 0.85 0.69 -0.61 2.37 4.15 -1.87 -1.83 115.11 118.86 2jba h GLN 63 Ca 0.27 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.55 2jba h GLN 63 Cb -0.01 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 2jba h GLN 63 CO -0.09 0.46 0.00 0.35 -1.93 0.00 0.00 178.83 177.62 2jba h PHE 64 N 0.71 1.18 -0.79 3.99 3.04 -0.55 -1.48 116.94 123.05 2jba h PHE 64 Ca 0.22 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2jba h PHE 64 Cb -0.02 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.15 2jba h PHE 64 CO -0.05 1.03 0.50 0.82 -2.02 0.00 0.00 178.31 178.59 2jba h ILE 65 N 0.98 1.21 -0.74 1.41 2.04 -0.77 -0.48 117.51 121.16 2jba h ILE 65 Ca 0.17 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2jba h ILE 65 Cb 0.56 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2jba h ILE 65 CO 0.03 0.21 0.38 0.11 0.00 0.00 0.00 178.15 178.89 2jba h LYS 66 N 1.07 1.06 -0.57 2.37 6.56 -0.94 -0.53 116.57 125.59 2jba h LYS 66 Ca 0.28 -0.14 0.05 0.00 -1.06 0.00 0.00 60.65 59.78 2jba h LYS 66 Cb -0.08 -0.20 -0.05 0.00 -0.57 0.00 0.00 32.23 31.33 2jba h LYS 66 CO -0.06 0.81 0.30 1.25 -2.06 0.00 0.00 179.45 179.69 2jba h HIS 67 N 1.04 0.55 -0.75 -1.35 2.76 -0.80 -2.35 115.15 114.25 2jba h HIS 67 Ca 0.26 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.41 2jba h HIS 67 Cb 0.08 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 2jba h HIS 67 CO 0.00 0.27 0.31 -0.07 -1.30 0.00 0.00 177.93 177.14 2jba h LEU 68 N 0.57 1.03 -0.14 0.26 3.38 -0.29 -3.13 115.31 116.99 2jba h LEU 68 Ca 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jba h LEU 68 Cb 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jba h LEU 68 CO -0.17 0.91 0.00 0.11 0.09 0.00 0.00 178.44 179.39 2jba h LYS 69 N 1.08 0.00 -0.01 1.13 1.79 -0.77 -2.62 116.57 117.17 2jba h LYS 69 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2jba h LYS 69 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2jba h LYS 69 CO -0.02 0.00 -0.13 2.89 -1.08 0.00 0.00 179.45 181.11 2jba n ARG 70 N -2.34 0.90 -5.07 3.15 1.85 -0.92 -4.78 116.66 109.45 2jba n ARG 70 Ca 0.05 -0.41 -0.29 0.00 -1.00 0.00 0.00 57.85 56.19 2jba n ARG 70 Cb 0.40 -1.49 -0.16 0.00 -1.05 0.00 0.00 32.46 30.16 2jba n ARG 70 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2jba s GLU 71 N -2.38 2.32 0.37 2.89 2.02 -1.20 -5.04 118.70 117.69 2jba s GLU 71 Ca 0.30 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.57 2jba s GLU 71 Cb 0.20 -1.93 0.73 0.00 0.10 0.00 0.00 34.13 33.22 2jba s GLU 71 CO 0.46 0.28 1.97 0.77 0.02 0.00 0.00 175.26 178.77 2jba h SER 72 N 6.29 0.50 1.27 -0.19 0.02 -1.87 -1.73 113.55 117.84 2jba h SER 72 Ca -0.30 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2jba h SER 72 Cb 1.19 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2jba h SER 72 CO 0.47 0.45 -0.09 -0.03 -1.14 0.00 0.00 176.83 176.49 2jba h MET 73 N 0.56 0.00 0.00 3.45 -1.53 -1.96 -3.34 114.93 112.11 2jba h MET 73 Ca 0.14 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 2jba h MET 73 Cb 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.16 2jba h MET 73 CO -0.02 0.09 -0.74 0.25 0.14 0.00 0.00 176.91 176.64 2jba n THR 74 N -3.18 0.00 0.27 -0.77 -2.24 -0.94 -4.70 114.28 102.72 2jba n THR 74 Ca 0.01 -0.27 0.11 0.00 -2.27 0.00 0.00 64.05 61.64 2jba n THR 74 Cb 0.42 0.73 0.74 0.00 -2.10 0.00 0.00 70.33 70.12 2jba n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jba h ARG 75 N 0.00 0.00 -0.33 -0.78 2.43 -0.94 -2.17 114.38 112.60 2jba h ARG 75 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jba h ARG 75 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2jba h ARG 75 CO 0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 2jba n ASP 76 N -4.28 3.17 -4.70 -3.80 8.00 -1.26 -4.84 116.55 108.84 2jba n ASP 76 Ca -0.03 -1.92 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 2jba n ASP 76 Cb 0.10 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 2jba n ASP 76 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jba s ILE 77 N -1.32 3.69 0.35 0.53 1.01 -0.82 -4.97 121.20 119.68 2jba s ILE 77 Ca 0.33 1.13 -0.28 0.00 0.00 0.00 0.00 60.65 61.82 2jba s ILE 77 Cb 0.19 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.83 2jba s ILE 77 CO 0.27 0.03 1.39 -2.16 0.00 0.00 0.00 174.94 174.47 2jba s PRO 78 N 1.92 4.25 -0.11 2.79 0.04 -1.26 -4.88 135.00 137.75 2jba s PRO 78 Ca 0.63 2.37 0.03 0.00 0.04 0.00 0.00 61.00 64.07 2jba s PRO 78 Cb -0.32 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.20 2jba s PRO 78 CO 0.27 -0.35 -0.21 0.08 0.04 0.00 0.00 177.00 176.84 2jba s VAL 79 N -1.08 1.87 -0.17 -0.36 1.01 -1.26 -0.96 120.40 119.45 2jba s VAL 79 Ca 0.51 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2jba s VAL 79 Cb -0.43 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2jba s VAL 79 CO 0.57 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 175.30 2jba s VAL 80 N 0.66 2.21 0.33 2.92 1.01 0.25 -0.50 120.40 127.28 2jba s VAL 80 Ca -0.12 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 2jba s VAL 80 Cb -0.16 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 2jba s VAL 80 CO 0.03 0.53 1.03 -0.04 0.00 0.00 0.00 175.10 176.65 2jba s MET 81 N 1.12 4.46 -0.34 2.72 -1.94 -0.11 -0.93 119.30 124.29 2jba s MET 81 Ca 0.01 1.55 -0.12 0.00 -1.71 0.00 0.00 55.69 55.42 2jba s MET 81 Cb -0.14 -2.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.83 2jba s MET 81 CO -0.08 0.12 0.21 -0.51 -0.01 0.00 0.00 175.02 174.75 2jba s LEU 82 N -2.03 4.42 -0.15 -0.03 1.43 0.14 -0.45 118.68 122.02 2jba s LEU 82 Ca 0.51 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2jba s LEU 82 Cb -0.24 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 2jba s LEU 82 CO 0.31 -0.24 -0.13 -0.89 0.23 0.00 0.00 176.35 175.63 2jba s THR 83 N 1.68 2.92 0.20 5.49 2.01 -0.35 -3.97 115.64 123.62 2jba s THR 83 Ca 0.05 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 2jba s THR 83 Cb -0.17 -2.24 -0.08 0.00 0.01 0.00 0.00 72.50 70.02 2jba s THR 83 CO 0.09 0.51 0.75 0.00 -0.69 0.00 0.00 174.62 175.28 2jba s ALA 84 N 0.63 3.42 0.76 7.40 0.00 -1.26 -0.45 121.76 132.25 2jba s ALA 84 Ca -0.07 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 2jba s ALA 84 Cb -0.16 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.13 2jba s ALA 84 CO 0.03 0.31 1.23 1.03 0.00 0.00 0.00 175.76 178.36 2jba s ARG 85 N -1.64 1.91 2.70 0.00 0.52 -1.25 -1.68 118.95 119.52 2jba s ARG 85 Ca 0.40 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.46 2jba s ARG 85 Cb -0.19 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.48 2jba s ARG 85 CO 0.23 -2.03 0.00 0.41 0.02 0.00 0.00 175.30 173.93 2jba n GLY 86 N 0.61 0.66 0.24 -3.53 0.00 -1.26 -4.42 105.19 97.49 2jba n GLY 86 Ca 0.14 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 45.05 2jba n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jba h GLU 87 N 0.00 0.09 0.22 1.61 4.22 -2.00 -1.58 114.58 117.15 2jba h GLU 87 Ca 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 2jba h GLU 87 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2jba h GLU 87 CO 0.00 0.06 -0.11 1.49 -2.18 0.00 0.00 179.01 178.27 2jba h GLU 88 N 0.09 -0.29 -0.99 1.92 4.81 -1.77 -2.44 114.58 115.90 2jba h GLU 88 Ca 0.32 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.75 2jba h GLU 88 Cb 0.52 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.87 2jba h GLU 88 CO -0.55 0.04 0.62 1.49 -0.73 0.00 0.00 179.01 179.87 2jba h GLU 89 N -0.66 0.75 -0.45 1.92 4.81 -1.07 -1.33 114.58 118.55 2jba h GLU 89 Ca -0.03 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2jba h GLU 89 Cb 0.47 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2jba h GLU 89 CO 0.05 0.50 0.10 -0.44 -0.73 0.00 0.00 179.01 178.49 2jba h ASP 90 N 0.78 0.70 0.42 1.04 3.32 -1.18 -2.23 116.42 119.26 2jba h ASP 90 Ca 0.55 -0.24 -0.18 0.00 0.02 0.00 0.00 57.03 57.18 2jba h ASP 90 Cb 0.85 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2jba h ASP 90 CO -0.34 0.76 -0.74 0.03 -1.72 0.00 0.00 179.24 177.23 2jba h ARG 91 N 0.60 0.27 -0.01 3.56 3.08 -0.88 -3.18 114.38 117.82 2jba h ARG 91 Ca 0.14 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2jba h ARG 91 Cb 0.34 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2jba h ARG 91 CO 0.00 0.89 -0.09 1.33 -1.07 0.00 0.00 179.97 181.03 2jba n VAL 92 N -3.78 0.00 -1.64 2.04 0.24 -0.57 -4.74 118.33 109.88 2jba n VAL 92 Ca -0.03 -0.16 -0.45 0.00 -2.04 0.00 0.00 64.34 61.66 2jba n VAL 92 Cb 0.71 0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 33.32 2jba n VAL 92 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2jba n ARG 93 N -0.37 2.39 -0.91 7.34 0.63 -0.84 -2.27 116.66 122.63 2jba n ARG 93 Ca 0.17 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 2jba n ARG 93 Cb 0.32 -2.92 0.00 0.00 0.45 0.00 0.00 32.46 30.31 2jba n ARG 93 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jba n GLY 94 N 4.88 0.83 3.62 5.14 0.00 -1.26 -4.99 105.19 113.40 2jba n GLY 94 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2jba n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jba s LEU 95 N 0.00 3.76 -1.12 0.99 1.43 -0.96 -4.93 118.68 117.85 2jba s LEU 95 Ca 0.00 1.53 -0.19 0.00 -1.03 0.00 0.00 54.13 54.44 2jba s LEU 95 Cb 0.00 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.78 2jba s LEU 95 CO 0.00 -1.42 1.49 -0.70 0.23 0.00 0.00 176.35 175.95 2jba s GLU 96 N 5.04 3.79 0.15 1.70 2.12 -1.26 -4.79 118.70 125.44 2jba s GLU 96 Ca 0.75 -1.72 0.20 0.00 0.36 0.00 0.00 54.97 54.56 2jba s GLU 96 Cb -0.24 -5.30 -0.06 0.00 0.26 0.00 0.00 34.13 28.79 2jba s GLU 96 CO 0.31 -2.09 0.95 0.25 -0.54 0.00 0.00 175.26 174.14 2jba n THR 97 N 6.16 0.83 -0.37 -1.70 -2.24 -1.26 -4.96 114.28 110.75 2jba n THR 97 Ca 0.37 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2jba n THR 97 Cb 0.48 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2jba n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jba n GLY 98 N 1.26 0.71 3.74 3.38 0.00 -1.26 -4.98 105.19 108.04 2jba n GLY 98 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2jba n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jba s ALA 99 N -2.75 2.36 -0.21 4.61 0.00 -1.26 -4.93 121.76 119.57 2jba s ALA 99 Ca 0.00 1.01 0.18 0.00 0.00 0.00 0.00 51.96 53.15 2jba s ALA 99 Cb 0.00 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.70 2jba s ALA 99 CO 0.00 -1.52 1.28 -0.44 0.00 0.00 0.00 175.76 175.08 2jba h ASP 100 N 0.38 0.00 -5.59 0.00 5.19 -1.19 -3.49 116.42 111.73 2jba h ASP 100 Ca -0.50 0.00 0.24 0.00 -0.62 0.00 0.00 57.03 56.16 2jba h ASP 100 Cb 1.31 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.76 2jba h ASP 100 CO 0.53 0.37 0.71 -0.62 -3.12 0.00 0.00 179.24 177.11 2jba s ASP 101 N -6.13 -0.02 0.08 6.45 -1.08 -1.16 -5.03 116.67 109.78 2jba s ASP 101 Ca 0.02 -0.44 -0.04 0.00 -0.52 0.00 0.00 52.55 51.58 2jba s ASP 101 Cb 0.08 0.34 -0.02 0.00 -1.46 0.00 0.00 42.92 41.86 2jba s ASP 101 CO 0.75 -0.68 0.07 0.00 0.52 0.00 0.00 175.17 175.84 2jba s ILE 103 N -3.91 0.04 -0.07 0.00 2.07 0.41 -4.87 121.20 114.88 2jba s ILE 103 Ca 0.08 0.09 -0.20 0.00 -1.41 0.00 0.00 60.65 59.22 2jba s ILE 103 Cb 0.07 -0.12 -0.04 0.00 0.13 0.00 0.00 42.46 42.49 2jba s ILE 103 CO -0.09 0.08 0.55 -0.89 -1.91 0.00 0.00 174.94 172.67 2jba s THR 104 N 0.66 5.08 0.08 4.00 2.01 -1.26 -1.21 115.64 124.99 2jba s THR 104 Ca -0.06 1.12 -0.23 0.00 0.31 0.00 0.00 61.69 62.83 2jba s THR 104 Cb -0.09 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 2jba s THR 104 CO -0.02 0.35 0.70 -0.54 -0.69 0.00 0.00 174.62 174.43 2jba s LYS 105 N 0.34 4.43 0.44 4.92 1.02 0.40 -3.77 119.74 127.52 2jba s LYS 105 Ca 0.29 0.97 -0.18 0.00 0.02 0.00 0.00 55.97 57.07 2jba s LYS 105 Cb -0.17 -3.31 -0.09 0.00 -0.52 0.00 0.00 37.83 33.74 2jba s LYS 105 CO 0.14 0.45 0.92 -1.25 -0.92 0.00 0.00 175.35 174.69 2jba s PRO 106 N -0.60 4.08 0.13 -1.68 0.04 -1.26 -3.75 135.00 131.96 2jba s PRO 106 Ca 0.34 0.96 0.05 0.00 0.04 0.00 0.00 61.00 62.39 2jba s PRO 106 Cb -0.21 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2jba s PRO 106 CO 0.22 -0.08 -0.12 -0.59 0.04 0.00 0.00 177.00 176.48 2jba s PHE 107 N -2.30 1.30 0.61 0.56 -0.71 -1.25 -5.14 117.98 111.05 2jba s PHE 107 Ca 0.59 -0.65 -0.11 0.00 -1.04 0.00 0.00 56.93 55.72 2jba s PHE 107 Cb -0.10 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 2jba s PHE 107 CO 0.20 0.11 1.02 -1.54 -1.34 0.00 0.00 175.22 173.67 2jba s SER 108 N -2.78 6.24 0.23 1.98 1.04 -1.26 -4.92 113.70 114.24 2jba s SER 108 Ca 0.12 1.41 -0.07 0.00 0.48 0.00 0.00 55.95 57.89 2jba s SER 108 Cb -0.01 -2.46 0.34 0.00 0.10 0.00 0.00 66.02 63.98 2jba s SER 108 CO 0.02 -0.85 1.79 -0.65 0.98 0.00 0.00 173.24 174.53 2jba h PRO 109 N -0.26 0.65 -0.61 4.02 0.11 -1.99 -1.67 132.00 132.25 2jba h PRO 109 Ca -0.44 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2jba h PRO 109 Cb 1.19 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2jba h PRO 109 CO 0.62 0.43 0.19 -0.22 -0.21 0.00 0.00 178.00 178.81 2jba h LYS 110 N 0.67 0.94 -0.60 1.05 3.64 -2.00 -2.17 116.57 118.10 2jba h LYS 110 Ca 0.35 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2jba h LYS 110 Cb 0.34 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2jba h LYS 110 CO -0.25 0.83 0.10 0.93 -2.27 0.00 0.00 179.45 178.79 2jba h GLU 111 N 0.86 0.99 0.21 1.90 5.08 -1.86 -0.68 114.58 121.08 2jba h GLU 111 Ca 0.20 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2jba h GLU 111 Cb 0.28 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jba h GLU 111 CO -0.01 0.93 -0.11 1.25 -1.00 0.00 0.00 179.01 180.08 2jba h LEU 112 N 0.90 -0.26 -0.56 1.33 5.85 -1.07 -1.20 115.31 120.30 2jba h LEU 112 Ca 0.18 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2jba h LEU 112 Cb 0.42 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2jba h LEU 112 CO 0.01 -0.18 -0.01 0.58 -0.34 0.00 0.00 178.44 178.50 2jba h VAL 113 N -0.29 1.27 -0.72 1.05 2.07 -1.33 -2.29 116.25 116.00 2jba h VAL 113 Ca -0.03 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2jba h VAL 113 Cb 0.23 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2jba h VAL 113 CO 0.04 0.41 0.32 0.00 0.02 0.00 0.00 177.57 178.36 2jba h ALA 114 N 0.96 0.93 -0.23 1.67 0.00 -0.96 -1.28 119.26 120.36 2jba h ALA 114 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2jba h ALA 114 Cb 0.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jba h ALA 114 CO 0.03 0.53 -0.02 -0.09 0.00 0.00 0.00 179.25 179.70 2jba h ARG 115 N 1.02 0.41 -0.63 0.00 9.65 -1.08 -1.13 114.38 122.63 2jba h ARG 115 Ca 0.24 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 58.89 2jba h ARG 115 Cb 0.17 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 2jba h ARG 115 CO -0.03 0.61 0.02 -0.84 2.80 0.00 0.00 179.97 182.54 2jba h ILE 116 N 0.17 1.27 -0.64 1.20 3.07 -1.32 -1.50 117.51 119.76 2jba h ILE 116 Ca 0.06 -1.14 -0.07 0.00 1.55 0.00 0.00 64.86 65.26 2jba h ILE 116 Cb 0.44 0.76 -0.03 0.00 -0.27 0.00 0.00 36.82 37.72 2jba h ILE 116 CO 0.01 0.42 0.12 0.11 -1.05 0.00 0.00 178.15 177.76 2jba h LYS 117 N 1.00 1.02 -0.62 0.16 1.57 -1.17 -1.34 116.57 117.19 2jba h LYS 117 Ca 0.18 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 2jba h LYS 117 Cb 0.54 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2jba h LYS 117 CO 0.03 0.93 0.06 0.00 -0.57 0.00 0.00 179.45 179.90 2jba h ALA 118 N 1.16 0.83 -0.54 3.86 0.00 -0.98 -1.62 119.26 121.97 2jba h ALA 118 Ca 0.20 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2jba h ALA 118 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jba h ALA 118 CO 0.01 0.62 0.04 0.28 0.00 0.00 0.00 179.25 180.20 2jba h VAL 119 N 0.96 1.26 -0.12 0.00 2.07 -1.05 -1.97 116.25 117.40 2jba h VAL 119 Ca 0.18 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 2jba h VAL 119 Cb 0.48 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2jba h VAL 119 CO 0.02 0.37 -0.41 0.24 0.02 0.00 0.00 177.57 177.81 2jba h MET 120 N 0.80 0.28 -0.04 1.57 2.07 -1.13 -2.54 114.93 115.94 2jba h MET 120 Ca 0.16 -0.13 -0.13 0.00 -2.07 0.00 0.00 59.70 57.52 2jba h MET 120 Cb 0.47 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.18 2jba h MET 120 CO 0.02 0.65 -0.58 0.00 1.07 0.00 0.00 176.91 178.06 2jba h ARG 121 N 0.23 0.13 -0.03 1.72 3.08 -1.24 -3.51 114.38 114.76 2jba h ARG 121 Ca 0.02 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2jba h ARG 121 Cb 0.83 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2jba h ARG 121 CO 0.07 0.68 0.00 2.89 -1.07 0.00 0.00 179.97 182.53