#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtn n SER 2 N 0.00 5.12 -3.22 -3.46 2.88 -1.26 -4.83 113.62 108.86 2jtn n SER 2 Ca 0.00 -2.96 0.04 0.00 -1.33 0.00 0.00 58.87 54.62 2jtn n SER 2 Cb 0.00 -1.63 -0.04 0.00 -0.75 0.00 0.00 64.21 61.79 2jtn n SER 2 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2jtn s GLN 3 N 2.45 0.10 -0.22 -1.46 2.00 -1.26 -5.12 119.66 116.15 2jtn s GLN 3 Ca 0.47 0.24 -0.28 0.00 -2.00 0.00 0.00 55.36 53.79 2jtn s GLN 3 Cb -0.00 0.14 -0.05 0.00 0.80 0.00 0.00 33.01 33.90 2jtn s GLN 3 CO 0.03 -0.05 2.23 1.33 -0.50 0.00 0.00 175.29 178.33 2jtn n VAL 4 N 4.81 0.33 -0.09 1.34 0.24 -1.26 -4.86 118.33 118.84 2jtn n VAL 4 Ca -0.07 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.62 2jtn n VAL 4 Cb 0.55 -2.58 -0.04 0.00 -1.47 0.00 0.00 33.84 30.29 2jtn n VAL 4 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jtn h PRO 5 N 15.22 0.70 -1.87 7.34 0.13 -1.99 -3.44 132.00 148.08 2jtn h PRO 5 Ca -0.41 -0.38 -0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2jtn h PRO 5 Cb 1.24 0.02 -0.24 0.00 0.13 0.00 0.00 31.00 32.15 2jtn h PRO 5 CO 0.96 0.99 -0.28 -0.51 -0.23 0.00 0.00 178.00 178.93 2jtn s ASP 6 N -6.56 -0.75 0.20 1.44 1.01 -1.26 -5.17 116.67 105.58 2jtn s ASP 6 Ca -0.12 1.03 0.08 0.00 0.71 0.00 0.00 52.55 54.25 2jtn s ASP 6 Cb 0.09 1.83 -0.05 0.00 1.01 0.00 0.00 42.92 45.80 2jtn s ASP 6 CO 0.83 -0.25 -0.16 0.54 0.21 0.00 0.00 175.17 176.35 2jtn s VAL 7 N 2.76 1.79 0.33 -1.27 0.11 -1.26 -4.82 120.40 118.03 2jtn s VAL 7 Ca 0.05 -2.14 0.01 0.00 -2.93 0.00 0.00 61.98 56.97 2jtn s VAL 7 Cb -0.13 -1.99 -0.00 0.00 -1.53 0.00 0.00 36.38 32.72 2jtn s VAL 7 CO -0.17 -0.51 0.41 0.23 -3.33 0.00 0.00 175.10 171.73 2jtn n MET 8 N -0.21 0.60 -3.68 1.54 0.00 -1.20 -5.08 117.12 109.08 2jtn n MET 8 Ca -0.09 -2.85 -0.11 0.00 0.00 0.00 0.00 57.70 54.65 2jtn n MET 8 Cb 0.59 2.61 -0.09 0.00 0.00 0.00 0.00 33.22 36.34 2jtn n MET 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2jtn s VAL 9 N -2.95 -0.01 0.54 2.03 0.11 -1.26 -2.66 120.40 116.21 2jtn s VAL 9 Ca 0.31 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.17 2jtn s VAL 9 Cb -0.00 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 2jtn s VAL 9 CO 0.22 0.01 1.31 0.52 -3.33 0.00 0.00 175.10 173.84 2jtn n VAL 10 N 3.48 3.73 -2.98 2.04 0.31 0.34 -4.81 118.33 120.44 2jtn n VAL 10 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2jtn n VAL 10 Cb 0.56 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2jtn n VAL 10 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jtn n GLY 11 N 0.81 5.69 3.68 2.92 0.00 -1.26 1.00 105.19 118.03 2jtn n GLY 11 Ca 0.10 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 2jtn n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jtn n GLU 12 N 0.00 2.76 -1.87 1.61 1.02 -1.26 -4.07 120.64 118.84 2jtn n GLU 12 Ca 0.00 1.01 -0.41 0.00 -0.02 0.00 0.00 57.16 57.74 2jtn n GLU 12 Cb 0.00 -2.92 -0.01 0.00 -0.02 0.00 0.00 31.44 28.49 2jtn n GLU 12 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2jtn s PRO 13 N 3.36 4.17 -0.15 3.49 0.02 -1.26 -4.87 135.00 139.75 2jtn s PRO 13 Ca 0.85 2.49 -0.30 0.00 0.02 0.00 0.00 61.00 64.06 2jtn s PRO 13 Cb -0.49 -3.01 0.11 0.00 0.02 0.00 0.00 34.50 31.13 2jtn s PRO 13 CO 0.40 -0.49 0.91 -0.08 -0.33 0.00 0.00 177.00 177.41 2jtn s THR 14 N -0.76 0.00 0.46 0.99 -1.32 0.29 -4.51 115.64 110.79 2jtn s THR 14 Ca 0.55 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.08 2jtn s THR 14 Cb -0.45 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 2jtn s THR 14 CO 0.56 0.00 0.11 -0.76 -2.21 0.00 0.00 174.62 172.32 2jtn s LEU 15 N -0.93 2.77 0.33 9.08 1.43 -1.22 -4.19 118.68 125.94 2jtn s LEU 15 Ca -0.04 -1.34 0.01 0.00 -1.03 0.00 0.00 54.13 51.73 2jtn s LEU 15 Cb -0.01 -1.06 0.57 0.00 0.03 0.00 0.00 46.19 45.73 2jtn s LEU 15 CO 0.03 -0.67 1.99 0.00 0.23 0.00 0.00 176.35 177.92 2jtn h MET 16 N 1.42 0.92 -5.42 1.70 -0.00 -1.90 -3.48 114.93 108.17 2jtn h MET 16 Ca -0.43 -0.06 -0.04 0.00 -0.00 0.00 0.00 59.70 59.17 2jtn h MET 16 Cb 1.27 -0.21 0.00 0.00 -0.00 0.00 0.00 31.60 32.67 2jtn h MET 16 CO 0.73 0.61 -0.66 0.41 -0.00 0.00 0.00 176.91 178.00 2jtn n GLY 17 N -1.43 -1.54 1.27 -3.00 0.00 0.21 -4.96 105.19 95.74 2jtn n GLY 17 Ca 0.08 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.23 2jtn n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtn n GLY 18 N -0.12 -0.07 2.72 -0.02 0.00 -1.13 -4.88 105.19 101.70 2jtn n GLY 18 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 2jtn n GLY 18 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jtn n GLU 19 N -2.16 -3.07 -0.19 1.61 2.13 -1.26 -4.91 120.64 112.79 2jtn n GLU 19 Ca 0.00 2.53 -0.06 0.00 0.66 0.00 0.00 57.16 60.29 2jtn n GLU 19 Cb 0.00 -5.36 0.03 0.00 0.27 0.00 0.00 31.44 26.38 2jtn n GLU 19 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jtn h PHE 20 N 2.64 0.70 0.00 4.31 -5.15 -1.99 -3.46 116.94 113.98 2jtn h PHE 20 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 2jtn h PHE 20 Cb 0.30 -0.23 0.00 0.00 0.22 0.00 0.00 35.95 36.24 2jtn h PHE 20 CO 0.04 0.43 0.00 0.41 -2.00 0.00 0.00 178.31 177.19 2jtn n GLY 21 N -1.25 4.06 0.14 6.09 0.00 -1.26 -1.13 105.19 111.83 2jtn n GLY 21 Ca 0.04 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.26 2jtn n GLY 21 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jtn h ASP 22 N 0.00 0.00 -0.70 1.61 1.82 -1.90 -3.31 116.42 113.94 2jtn h ASP 22 Ca 0.00 0.00 0.20 0.00 -0.39 0.00 0.00 57.03 56.84 2jtn h ASP 22 Cb 0.00 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 2jtn h ASP 22 CO 0.00 0.39 0.50 -0.08 -1.61 0.00 0.00 179.24 178.44 2jtn h GLU 23 N 0.00 0.00 0.00 0.28 4.57 -1.49 -3.17 114.58 114.78 2jtn h GLU 23 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2jtn h GLU 23 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 2jtn h GLU 23 CO 0.04 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.62 2jtn n ASP 24 N -4.32 0.00 -4.50 1.04 9.92 -1.24 -5.01 116.55 112.44 2jtn n ASP 24 Ca 0.14 0.29 -0.25 0.00 -0.53 0.00 0.00 54.79 54.44 2jtn n ASP 24 Cb 0.77 -0.32 -0.10 0.00 -0.64 0.00 0.00 41.12 40.83 2jtn n ASP 24 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2jtn s GLU 25 N -0.65 1.73 0.43 -1.24 2.56 -1.20 -5.13 118.70 115.21 2jtn s GLU 25 Ca 0.00 -1.86 -0.22 0.00 0.00 0.00 0.00 54.97 52.88 2jtn s GLU 25 Cb 0.00 -1.63 -0.09 0.00 2.00 0.00 0.00 34.13 34.41 2jtn s GLU 25 CO 0.00 0.18 1.03 -0.98 -0.56 0.00 0.00 175.26 174.92 2jtn s ARG 26 N -3.60 4.06 0.33 4.30 3.03 -1.26 -4.35 118.95 121.47 2jtn s ARG 26 Ca 0.31 1.40 0.07 0.00 2.03 0.00 0.00 55.73 59.54 2jtn s ARG 26 Cb 0.01 -2.35 -0.01 0.00 -1.03 0.00 0.00 34.95 31.57 2jtn s ARG 26 CO 0.15 -0.21 0.42 -0.51 -1.13 0.00 0.00 175.30 174.03 2jtn s LEU 27 N -2.98 3.88 0.46 -1.89 2.01 -1.26 -4.57 118.68 114.34 2jtn s LEU 27 Ca 0.61 -0.26 -0.24 0.00 0.01 0.00 0.00 54.13 54.25 2jtn s LEU 27 Cb -0.18 -2.62 -0.07 0.00 0.01 0.00 0.00 46.19 43.33 2jtn s LEU 27 CO 0.23 -0.41 1.35 0.27 1.01 0.00 0.00 176.35 178.80 2jtn s ILE 28 N -2.20 2.33 -0.37 -0.59 -4.36 -1.26 -4.81 121.20 109.94 2jtn s ILE 28 Ca 0.44 0.27 -0.06 0.00 -0.26 0.00 0.00 60.65 61.05 2jtn s ILE 28 Cb -0.09 -3.15 0.06 0.00 1.25 0.00 0.00 42.46 40.53 2jtn s ILE 28 CO 0.30 0.03 0.15 -0.89 0.24 0.00 0.00 174.94 174.76 2jtn s THR 29 N -1.28 3.68 -0.67 8.37 2.01 0.11 -4.91 115.64 122.95 2jtn s THR 29 Ca 0.63 -1.41 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 2jtn s THR 29 Cb -0.40 -3.21 0.04 0.00 0.01 0.00 0.00 72.50 68.94 2jtn s THR 29 CO 0.50 -0.34 1.16 -0.60 -0.69 0.00 0.00 174.62 174.65 2jtn s ARG 30 N 1.34 3.25 0.06 4.92 3.52 -1.26 -1.67 118.95 129.11 2jtn s ARG 30 Ca 0.01 -0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 55.27 2jtn s ARG 30 Cb -0.21 -4.14 -0.01 0.00 -1.56 0.00 0.00 34.95 29.03 2jtn s ARG 30 CO 0.01 -1.92 0.14 -0.48 -0.81 0.00 0.00 175.30 172.24 2jtn s LEU 31 N 5.06 1.61 0.43 -0.88 0.05 -0.74 -5.00 118.68 119.21 2jtn s LEU 31 Ca 0.34 -0.57 -0.08 0.00 0.05 0.00 0.00 54.13 53.86 2jtn s LEU 31 Cb -0.10 0.82 -0.05 0.00 -2.05 0.00 0.00 46.19 44.80 2jtn s LEU 31 CO 0.17 -0.61 0.76 -0.70 -0.55 0.00 0.00 176.35 175.42 2jtn s GLU 32 N -3.17 3.66 0.45 1.48 2.12 -1.26 0.30 118.70 122.29 2jtn s GLU 32 Ca -0.00 0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.69 2jtn s GLU 32 Cb 0.02 -2.40 0.04 0.00 0.26 0.00 0.00 34.13 32.05 2jtn s GLU 32 CO -0.07 -0.10 0.31 0.09 -0.54 0.00 0.00 175.26 174.95 2jtn n ASN 33 N -1.70 2.54 -1.65 -1.70 4.13 0.30 -4.82 115.26 112.35 2jtn n ASN 33 Ca 0.01 -2.61 -0.15 0.00 1.68 0.00 0.00 54.58 53.52 2jtn n ASN 33 Cb 0.54 -0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.86 2jtn n ASN 33 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2jtn n THR 34 N -1.52 2.39 -0.09 3.41 -2.24 -1.26 -4.76 114.28 110.21 2jtn n THR 34 Ca -0.03 -3.90 -0.15 0.00 -2.27 0.00 0.00 64.05 57.69 2jtn n THR 34 Cb 0.52 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.86 2jtn n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jtn n GLN 35 N -0.81 0.52 0.00 -0.78 3.00 -1.26 -4.94 117.38 113.11 2jtn n GLN 35 Ca 0.36 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 2jtn n GLN 35 Cb 0.89 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 29.42 2jtn n GLN 35 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jtn n PHE 36 N -4.50 0.00 0.04 1.08 7.35 -1.26 -3.30 117.46 116.87 2jtn n PHE 36 Ca -0.23 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.46 2jtn n PHE 36 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 2jtn n PHE 36 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2jtn n ASP 37 N 1.70 0.25 0.00 -2.13 -0.08 -1.26 -4.74 116.55 110.29 2jtn n ASP 37 Ca 0.00 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2jtn n ASP 37 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2jtn n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jtn n ALA 38 N -2.97 0.00 -1.70 -1.67 0.00 -1.21 -0.73 120.51 112.22 2jtn n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jtn n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jtn n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtn n ALA 39 N 0.85 1.76 -3.64 0.00 0.00 -1.26 -5.06 120.51 113.15 2jtn n ALA 39 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 2jtn n ALA 39 Cb 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 2jtn n ALA 39 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jtn s ASN 40 N -0.80 -0.12 0.00 0.00 3.04 0.09 -4.33 114.94 112.81 2jtn s ASN 40 Ca 0.01 0.22 0.00 0.00 0.04 0.00 0.00 52.86 53.13 2jtn s ASN 40 Cb 0.01 0.22 0.00 0.00 -1.54 0.00 0.00 41.25 39.94 2jtn s ASN 40 CO 0.00 -0.05 0.00 0.61 -3.04 0.00 0.00 177.10 174.62 2jtn n GLY 41 N 1.49 0.00 0.00 1.21 0.00 -1.26 -4.25 105.19 102.38 2jtn n GLY 41 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jtn n GLY 41 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jtn n ILE 42 N 0.00 0.00 -4.35 -0.61 -0.00 -1.26 -4.95 119.36 108.20 2jtn n ILE 42 Ca 0.00 0.38 -0.18 0.00 -0.00 0.00 0.00 62.75 62.95 2jtn n ILE 42 Cb 0.00 -1.19 -0.05 0.00 -0.00 0.00 0.00 39.64 38.39 2jtn n ILE 42 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2jtn n ASP 43 N -1.78 0.89 -4.57 4.38 2.03 -1.26 -5.04 116.55 111.21 2jtn n ASP 43 Ca 0.00 -2.62 -0.14 0.00 0.52 0.00 0.00 54.79 52.55 2jtn n ASP 43 Cb 0.00 0.84 -0.08 0.00 -0.72 0.00 0.00 41.12 41.16 2jtn n ASP 43 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2jtn s ASP 44 N -2.84 3.78 -0.50 1.67 1.11 -1.26 -4.88 116.67 113.75 2jtn s ASP 44 Ca 0.18 -0.23 -0.26 0.00 0.18 0.00 0.00 52.55 52.41 2jtn s ASP 44 Cb 0.01 -2.56 0.03 0.00 1.07 0.00 0.00 42.92 41.47 2jtn s ASP 44 CO 0.12 -4.11 1.01 -0.70 1.18 0.00 0.00 175.17 172.68 2jtn s GLU 45 N 8.75 3.53 -0.13 8.23 -6.30 -1.26 -4.99 118.70 126.54 2jtn s GLU 45 Ca 0.89 0.18 -0.04 0.00 -2.50 0.00 0.00 54.97 53.51 2jtn s GLU 45 Cb -0.11 -3.96 0.05 0.00 0.00 0.00 0.00 34.13 30.12 2jtn s GLU 45 CO 0.10 -1.37 0.10 0.20 0.02 0.00 0.00 175.26 174.32 2jtn s GLY 46 N 2.51 0.24 0.00 -1.50 0.00 -1.26 -5.02 107.32 102.29 2jtn s GLY 46 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.10 2jtn s GLY 46 CO 0.26 1.68 0.00 0.61 0.00 0.00 0.00 173.10 175.65 2jtn n GLY 47 N 5.29 0.78 3.10 0.20 0.00 -1.26 -4.79 105.19 108.51 2jtn n GLY 47 Ca -0.05 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.24 2jtn n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jtn s SER 48 N -4.00 -1.15 0.00 1.61 0.01 -1.26 -5.01 113.70 103.90 2jtn s SER 48 Ca 0.00 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2jtn s SER 48 Cb 0.00 1.87 0.00 0.00 0.21 0.00 0.00 66.02 68.10 2jtn s SER 48 CO 0.00 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2jtn n GLY 49 N 5.41 0.00 1.78 3.44 0.00 -1.26 -5.07 105.19 109.49 2jtn n GLY 49 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2jtn n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtn n GLY 50 N 0.00 1.84 2.60 -0.02 0.00 -1.26 -4.92 105.19 103.43 2jtn n GLY 50 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 2jtn n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jtn s HIS 51 N -1.45 1.97 -0.01 1.61 3.76 -1.26 -4.97 115.29 114.94 2jtn s HIS 51 Ca 0.33 -2.61 -0.19 0.00 -0.15 0.00 0.00 55.06 52.45 2jtn s HIS 51 Cb 0.37 -1.62 -0.10 0.00 1.11 0.00 0.00 32.58 32.33 2jtn s HIS 51 CO -0.12 -0.73 0.81 1.98 -0.85 0.00 0.00 174.74 175.83 2jtn h MET 52 N 5.83 -0.64 0.00 1.40 4.05 -2.05 -3.45 114.93 120.07 2jtn h MET 52 Ca 0.17 0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.53 2jtn h MET 52 Cb 0.87 0.15 -0.09 0.00 -0.80 0.00 0.00 31.60 31.72 2jtn h MET 52 CO 0.49 -0.43 -0.00 0.41 0.23 0.00 0.00 176.91 177.61 2jtn n GLY 53 N -0.03 -0.05 3.73 1.39 0.00 -1.26 -5.16 105.19 103.81 2jtn n GLY 53 Ca -0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2jtn n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jtn s SER 54 N -0.47 -0.06 0.00 1.61 0.15 -1.26 -5.16 113.70 108.51 2jtn s SER 54 Ca 0.07 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2jtn s SER 54 Cb 0.16 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2jtn s SER 54 CO -0.04 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.68 2jtn n GLY 55 N -0.45 -2.68 0.88 9.45 0.00 -1.26 -4.97 105.19 106.16 2jtn n GLY 55 Ca -0.03 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2jtn n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtn n GLY 56 N -0.04 -1.71 2.69 -0.02 0.00 -1.26 -5.07 105.19 99.78 2jtn n GLY 56 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2jtn n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtn s THR 57 N 0.00 1.43 1.03 2.61 2.01 -1.26 -5.12 115.64 116.34 2jtn s THR 57 Ca 0.00 -2.77 -0.16 0.00 0.31 0.00 0.00 61.69 59.07 2jtn s THR 57 Cb 0.00 -1.99 0.06 0.00 0.01 0.00 0.00 72.50 70.58 2jtn s THR 57 CO 0.00 -0.95 0.15 -2.65 -0.69 0.00 0.00 174.62 170.48 2jtn n PRO 58 N 3.27 -0.90 -2.55 4.92 -0.02 -1.26 -3.15 135.00 135.31 2jtn n PRO 58 Ca 0.13 -0.23 -0.21 0.00 -2.02 0.00 0.00 63.50 61.17 2jtn n PRO 58 Cb 0.36 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2jtn n PRO 58 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jtn n GLU 59 N -1.69 -2.45 -4.52 -0.52 4.71 -1.26 -4.98 120.64 109.93 2jtn n GLU 59 Ca 0.03 0.96 -0.34 0.00 -0.01 0.00 0.00 57.16 57.81 2jtn n GLU 59 Cb 0.58 -5.67 -0.12 0.00 -1.01 0.00 0.00 31.44 25.22 2jtn n GLU 59 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 2jtn s ILE 60 N -3.05 3.79 0.13 -3.67 1.10 -1.19 -5.08 121.20 113.24 2jtn s ILE 60 Ca 0.07 -0.42 -0.31 0.00 -0.51 0.00 0.00 60.65 59.48 2jtn s ILE 60 Cb -0.03 -2.61 -0.11 0.00 0.15 0.00 0.00 42.46 39.87 2jtn s ILE 60 CO 0.09 0.55 1.81 -2.16 -2.11 0.00 0.00 174.94 173.12 2jtn s PRO 61 N -0.24 4.14 0.07 3.50 0.04 -1.26 -4.85 135.00 136.40 2jtn s PRO 61 Ca 0.04 2.59 -0.20 0.00 0.04 0.00 0.00 61.00 63.46 2jtn s PRO 61 Cb -0.13 -3.52 -0.07 0.00 0.04 0.00 0.00 34.50 30.83 2jtn s PRO 61 CO 0.02 -0.83 0.60 -1.64 0.04 0.00 0.00 177.00 175.20 2jtn s MET 62 N 2.50 4.26 1.04 4.56 -1.94 -1.26 -3.92 119.30 124.54 2jtn s MET 62 Ca 0.80 0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 55.45 2jtn s MET 62 Cb -0.46 -3.25 0.17 0.00 2.01 0.00 0.00 34.83 33.29 2jtn s MET 62 CO 0.36 0.60 0.84 0.00 -0.01 0.00 0.00 175.02 176.80 2jtn s ALA 64 N -2.47 3.43 0.00 0.00 0.00 -1.19 -4.37 121.76 117.16 2jtn s ALA 64 Ca 0.64 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2jtn s ALA 64 Cb -0.22 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2jtn s ALA 64 CO 0.63 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 175.31 2jtn n GLY 65 N 4.45 2.27 3.93 0.00 0.00 -1.26 -4.11 105.19 110.46 2jtn n GLY 65 Ca 0.04 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2jtn n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtn s ASP 67 N -2.84 5.73 -0.30 0.00 -1.08 -1.26 -4.29 116.67 112.64 2jtn s ASP 67 Ca 0.36 -1.28 -0.22 0.00 -0.52 0.00 0.00 52.55 50.89 2jtn s ASP 67 Cb -0.12 -2.57 0.20 0.00 -1.46 0.00 0.00 42.92 38.97 2jtn s ASP 67 CO 0.28 -2.24 1.40 -1.58 0.52 0.00 0.00 175.17 173.55 2jtn s GLN 68 N 5.98 0.04 0.53 4.34 0.74 -1.26 -5.02 119.66 125.01 2jtn s GLN 68 Ca 0.61 0.05 -0.19 0.00 0.05 0.00 0.00 55.36 55.88 2jtn s GLN 68 Cb -0.02 0.02 -0.06 0.00 1.10 0.00 0.00 33.01 34.04 2jtn s GLN 68 CO -0.00 -0.01 1.06 -3.38 -0.55 0.00 0.00 175.29 172.41 2jtn s HIS 69 N 0.34 2.93 0.50 1.67 0.00 -1.26 0.96 115.29 120.43 2jtn s HIS 69 Ca 0.03 1.55 -0.17 0.00 -3.00 0.00 0.00 55.06 53.46 2jtn s HIS 69 Cb -0.04 -3.09 -0.08 0.00 -4.00 0.00 0.00 32.58 25.37 2jtn s HIS 69 CO -0.14 -1.06 0.98 0.42 -1.00 0.00 0.00 174.74 173.94 2jtn s ILE 70 N -2.09 4.46 -0.06 -5.38 -1.09 -1.25 -4.70 121.20 111.08 2jtn s ILE 70 Ca 0.67 1.26 0.02 0.00 -2.23 0.00 0.00 60.65 60.37 2jtn s ILE 70 Cb -0.18 -3.68 0.08 0.00 -1.58 0.00 0.00 42.46 37.10 2jtn s ILE 70 CO 0.26 -0.60 0.63 0.00 -1.23 0.00 0.00 174.94 174.00 2jtn n LEU 71 N -1.40 -0.42 -4.77 2.97 -0.00 -1.26 -5.02 117.00 107.10 2jtn n LEU 71 Ca 0.07 -1.28 -0.22 0.00 -0.00 0.00 0.00 56.01 54.58 2jtn n LEU 71 Cb 0.54 0.40 -0.05 0.00 -0.00 0.00 0.00 43.42 44.31 2jtn n LEU 71 CO 0.44 1.06 -0.19 -1.81 -0.00 0.00 0.00 177.39 176.90 2jtn s ASP 72 N -0.35 4.98 0.00 1.45 1.11 -1.26 -4.24 116.67 118.36 2jtn s ASP 72 Ca 0.02 -0.57 0.00 0.00 0.18 0.00 0.00 52.55 52.18 2jtn s ASP 72 Cb 0.09 -0.95 0.00 0.00 1.07 0.00 0.00 42.92 43.12 2jtn s ASP 72 CO -0.02 -0.20 0.58 0.54 1.18 0.00 0.00 175.17 177.24 2jtn n ARG 73 N -1.16 0.00 -2.53 8.23 3.00 -1.26 -4.27 116.66 118.66 2jtn n ARG 73 Ca -0.04 0.12 -0.43 0.00 -0.01 0.00 0.00 57.85 57.49 2jtn n ARG 73 Cb 0.60 -1.08 -0.02 0.00 0.00 0.00 0.00 32.46 31.95 2jtn n ARG 73 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2jtn s PHE 74 N -1.39 3.10 0.17 -1.55 0.40 -1.26 0.11 117.98 117.56 2jtn s PHE 74 Ca 0.00 1.23 0.10 0.00 -0.60 0.00 0.00 56.93 57.66 2jtn s PHE 74 Cb 0.00 -3.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.10 2jtn s PHE 74 CO 0.00 -1.11 -0.21 0.42 0.70 0.00 0.00 175.22 175.01 2jtn s ILE 75 N 3.23 2.04 -0.35 0.64 -1.09 0.15 -4.94 121.20 120.88 2jtn s ILE 75 Ca 0.50 -1.92 -0.04 0.00 -2.23 0.00 0.00 60.65 56.97 2jtn s ILE 75 Cb -0.19 -1.93 0.07 0.00 -1.58 0.00 0.00 42.46 38.83 2jtn s ILE 75 CO 0.12 -0.19 0.11 -0.76 -1.23 0.00 0.00 174.94 172.98 2jtn s LEU 76 N -2.56 4.49 -0.12 2.97 1.02 -1.22 -1.80 118.68 121.46 2jtn s LEU 76 Ca 0.17 -1.46 -0.19 0.00 0.02 0.00 0.00 54.13 52.66 2jtn s LEU 76 Cb -0.07 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 2jtn s LEU 76 CO 0.08 -0.38 0.52 -0.75 0.02 0.00 0.00 176.35 175.84 2jtn s LYS 77 N 1.28 4.34 0.16 1.70 2.20 -0.67 0.19 119.74 128.94 2jtn s LYS 77 Ca 0.00 0.52 -0.23 0.00 -0.36 0.00 0.00 55.97 55.90 2jtn s LYS 77 Cb -0.21 -3.45 0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2jtn s LYS 77 CO -0.01 0.11 0.69 0.00 -0.36 0.00 0.00 175.35 175.78 2jtn s ALA 78 N 0.76 -1.55 -1.44 3.13 0.00 0.28 0.06 121.76 123.01 2jtn s ALA 78 Ca 0.28 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 2jtn s ALA 78 Cb -0.16 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.80 2jtn s ALA 78 CO 0.12 -0.83 0.64 1.28 0.00 0.00 0.00 175.76 176.96 2jtn n LEU 79 N -0.38 -2.26 -2.12 0.00 4.77 -1.26 -0.63 117.00 115.11 2jtn n LEU 79 Ca -0.12 -0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 55.28 2jtn n LEU 79 Cb 0.63 -2.60 -0.01 0.00 -2.33 0.00 0.00 43.42 39.11 2jtn n LEU 79 CO 0.13 0.25 -0.23 0.47 -1.33 0.00 0.00 177.39 176.68 2jtn n ASP 80 N -2.50 -5.35 -3.79 -1.43 8.00 -1.26 -4.95 116.55 105.27 2jtn n ASP 80 Ca -0.05 -0.03 -0.05 0.00 0.71 0.00 0.00 54.79 55.38 2jtn n ASP 80 Cb 0.58 -4.40 -0.02 0.00 -0.02 0.00 0.00 41.12 37.26 2jtn n ASP 80 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2jtn s ARG 81 N -4.94 1.43 -0.24 -1.24 3.52 0.20 -5.14 118.95 112.54 2jtn s ARG 81 Ca 0.01 -0.80 -0.21 0.00 -0.13 0.00 0.00 55.73 54.60 2jtn s ARG 81 Cb -0.00 0.49 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 2jtn s ARG 81 CO 0.01 -0.66 0.68 -3.38 -0.81 0.00 0.00 175.30 171.14 2jtn s HIS 82 N -3.52 3.31 -0.15 5.12 -3.43 -1.26 0.10 115.29 115.47 2jtn s HIS 82 Ca 0.12 0.92 -0.03 0.00 -0.80 0.00 0.00 55.06 55.28 2jtn s HIS 82 Cb -0.03 -2.88 -0.02 0.00 -1.43 0.00 0.00 32.58 28.21 2jtn s HIS 82 CO 0.04 -0.30 -0.06 -1.58 -2.00 0.00 0.00 174.74 170.84 2jtn s TRP 83 N 2.42 2.98 1.22 0.38 0.52 0.13 -3.18 118.94 123.40 2jtn s TRP 83 Ca 0.29 -0.37 -0.18 0.00 0.02 0.00 0.00 56.10 55.86 2jtn s TRP 83 Cb -0.16 -1.93 0.25 0.00 -1.15 0.00 0.00 33.47 30.48 2jtn s TRP 83 CO 0.09 -0.07 0.55 1.58 0.02 0.00 0.00 176.95 179.12 2jtn n HIS 84 N 3.51 -2.29 0.10 -1.98 -0.00 -1.26 -3.42 115.22 109.89 2jtn n HIS 84 Ca -0.18 -0.24 -0.23 0.00 0.46 0.00 0.00 57.72 57.54 2jtn n HIS 84 Cb 0.53 -1.49 -0.15 0.00 -0.12 0.00 0.00 29.99 28.75 2jtn n HIS 84 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2jtn h SER 85 N -2.82 0.67 0.49 0.26 0.87 -1.93 -2.96 113.55 108.14 2jtn h SER 85 Ca -0.46 -0.94 -0.29 0.00 -1.23 0.00 0.00 61.79 58.88 2jtn h SER 85 Cb 1.21 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.90 2jtn h SER 85 CO 0.32 1.56 -1.70 0.29 -0.53 0.00 0.00 176.83 176.77 2jtn n LYS 86 N -3.91 0.63 0.12 2.24 4.76 -1.26 -4.04 118.16 116.70 2jtn n LYS 86 Ca -0.15 0.29 -0.01 0.00 -2.87 0.00 0.00 58.31 55.56 2jtn n LYS 86 Cb 0.97 -1.79 0.23 0.00 -1.84 0.00 0.00 35.03 32.60 2jtn n LYS 86 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jtn n LEU 88 N -3.98 3.92 -4.21 0.00 7.94 -1.12 -4.84 117.00 114.72 2jtn n LEU 88 Ca -0.02 -3.35 -0.12 0.00 -1.11 0.00 0.00 56.01 51.41 2jtn n LEU 88 Cb 0.50 -1.62 -0.10 0.00 0.53 0.00 0.00 43.42 42.73 2jtn n LEU 88 CO 0.41 -0.93 -0.31 -0.54 -1.11 0.00 0.00 177.39 174.92 2jtn s LYS 89 N 5.49 1.07 0.42 1.96 -0.14 -1.26 -3.20 119.74 124.07 2jtn s LYS 89 Ca 0.62 -1.52 -0.23 0.00 -1.36 0.00 0.00 55.97 53.48 2jtn s LYS 89 Cb 0.04 -0.04 -0.09 0.00 -1.68 0.00 0.00 37.83 36.06 2jtn s LYS 89 CO 0.11 -0.21 1.04 0.00 -0.76 0.00 0.00 175.35 175.53 2jtn h SER 91 N 2.28 0.00 0.00 0.00 0.87 -1.97 -0.87 113.55 113.85 2jtn h SER 91 Ca -0.49 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.02 2jtn h SER 91 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2jtn h SER 91 CO 0.62 0.00 -0.77 -0.67 -0.53 0.00 0.00 176.83 175.48 2jtn n ASP 92 N -4.31 1.29 -0.15 6.23 2.03 -1.26 -4.74 116.55 115.65 2jtn n ASP 92 Ca -0.02 0.20 -0.05 0.00 0.52 0.00 0.00 54.79 55.44 2jtn n ASP 92 Cb 0.13 -0.47 0.04 0.00 -0.72 0.00 0.00 41.12 40.10 2jtn n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jtn n HIS 94 N -4.89 -0.25 -2.82 0.00 -0.00 -0.33 -4.86 115.22 102.07 2jtn n HIS 94 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.45 2jtn n HIS 94 Cb 0.11 -3.37 -0.03 0.00 -0.00 0.00 0.00 29.99 26.71 2jtn n HIS 94 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2jtn s VAL 95 N -2.69 4.81 -0.03 3.57 -7.23 -1.26 -4.71 120.40 112.86 2jtn s VAL 95 Ca 0.00 0.54 -0.31 0.00 -1.81 0.00 0.00 61.98 60.39 2jtn s VAL 95 Cb 0.00 -3.76 -0.10 0.00 0.56 0.00 0.00 36.38 33.09 2jtn s VAL 95 CO 0.00 -0.58 1.97 -2.65 -0.31 0.00 0.00 175.10 173.54 2jtn n PRO 96 N -1.46 2.53 -2.95 4.82 -0.02 -1.26 -4.19 135.00 132.47 2jtn n PRO 96 Ca 0.02 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 62.05 2jtn n PRO 96 Cb 0.54 -2.90 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 2jtn n PRO 96 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jtn n LEU 97 N 7.65 5.86 -2.23 2.45 4.32 -1.19 -4.78 117.00 129.07 2jtn n LEU 97 Ca 0.22 -5.41 -0.25 0.00 -0.02 0.00 0.00 56.01 50.56 2jtn n LEU 97 Cb 0.37 -0.99 0.17 0.00 -1.62 0.00 0.00 43.42 41.35 2jtn n LEU 97 CO 0.70 2.00 1.30 0.00 -1.22 0.00 0.00 177.39 180.17 2jtn n ALA 98 N 0.49 5.65 0.00 -1.18 0.00 -1.26 -4.37 120.51 119.84 2jtn n ALA 98 Ca 0.34 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.84 2jtn n ALA 98 Cb 0.33 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2jtn n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jtn n GLU 99 N -1.13 0.00 -3.68 0.00 -0.58 -1.26 -5.06 120.64 108.93 2jtn n GLU 99 Ca 0.60 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 57.19 2jtn n GLU 99 Cb 1.61 -0.18 -0.08 0.00 -0.57 0.00 0.00 31.44 32.23 2jtn n GLU 99 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jtn s ARG 100 N -1.74 0.77 -0.07 3.49 3.00 -1.26 -4.51 118.95 118.63 2jtn s ARG 100 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 55.73 55.82 2jtn s ARG 100 Cb 0.00 0.36 0.04 0.00 0.00 0.00 0.00 34.95 35.35 2jtn s ARG 100 CO 0.00 -0.21 0.14 0.00 0.00 0.00 0.00 175.30 175.23 2jtn s PHE 102 N 1.37 2.41 -0.19 0.00 0.40 0.24 -4.37 117.98 117.84 2jtn s PHE 102 Ca -0.07 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.56 2jtn s PHE 102 Cb -0.12 -1.99 0.08 0.00 0.51 0.00 0.00 43.02 41.50 2jtn s PHE 102 CO -0.06 -0.02 0.42 -1.54 0.70 0.00 0.00 175.22 174.72 2jtn s SER 103 N -4.04 -0.34 -0.05 1.36 1.04 -1.25 -0.87 113.70 109.54 2jtn s SER 103 Ca 0.40 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.81 2jtn s SER 103 Cb 0.01 1.21 0.03 0.00 0.10 0.00 0.00 66.02 67.37 2jtn s SER 103 CO 0.23 -0.22 -0.00 -0.13 0.98 0.00 0.00 173.24 174.09 2jtn s ARG 104 N 2.29 0.53 4.38 4.02 1.81 -1.11 -4.92 118.95 125.96 2jtn s ARG 104 Ca -0.04 0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.05 2jtn s ARG 104 Cb -0.11 -0.80 0.00 0.00 -0.45 0.00 0.00 34.95 33.59 2jtn s ARG 104 CO -0.13 -0.22 0.00 0.41 -0.68 0.00 0.00 175.30 174.68 2jtn n GLY 105 N 4.72 2.02 2.10 -3.53 0.00 -1.26 -3.40 105.19 105.83 2jtn n GLY 105 Ca -0.15 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.74 2jtn n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jtn n GLU 106 N 0.00 0.82 -3.67 1.61 1.02 -1.26 -5.10 120.64 114.07 2jtn n GLU 106 Ca 0.00 -2.45 -0.14 0.00 -0.02 0.00 0.00 57.16 54.55 2jtn n GLU 106 Cb 0.00 -0.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.78 2jtn n GLU 106 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jtn s SER 107 N -2.57 -0.32 -0.10 1.62 0.01 -1.22 -5.14 113.70 105.98 2jtn s SER 107 Ca 0.26 0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.38 2jtn s SER 107 Cb 0.33 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.96 2jtn s SER 107 CO -0.10 -0.59 1.10 0.54 0.41 0.00 0.00 173.24 174.60 2jtn s VAL 108 N -1.90 4.54 0.03 3.43 0.11 -1.26 -2.73 120.40 122.61 2jtn s VAL 108 Ca -0.09 1.84 0.09 0.00 -2.93 0.00 0.00 61.98 60.88 2jtn s VAL 108 Cb -0.02 -4.18 -0.03 0.00 -1.53 0.00 0.00 36.38 30.62 2jtn s VAL 108 CO 0.02 -0.03 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.20 2jtn s TYR 109 N 2.30 2.21 0.35 1.54 1.51 -0.05 -3.55 117.35 121.65 2jtn s TYR 109 Ca 0.51 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 56.06 2jtn s TYR 109 Cb -0.21 -1.35 -0.07 0.00 -0.11 0.00 0.00 41.96 40.23 2jtn s TYR 109 CO 0.18 0.08 0.70 0.00 -1.11 0.00 0.00 175.55 175.39 2jtn h LYS 111 N 1.63 0.51 0.00 0.00 1.57 -1.93 0.80 116.57 119.15 2jtn h LYS 111 Ca -0.47 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 2jtn h LYS 111 Cb 1.18 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2jtn h LYS 111 CO 0.65 0.33 -0.14 0.22 -0.57 0.00 0.00 179.45 179.95 2jtn h ASP 112 N 0.52 0.00 1.37 0.86 1.82 -1.97 -1.79 116.42 117.24 2jtn h ASP 112 Ca 0.31 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.88 2jtn h ASP 112 Cb 0.52 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 2jtn h ASP 112 CO -0.10 0.14 -0.65 0.44 -1.61 0.00 0.00 179.24 177.46 2jtn h ASP 113 N 0.00 0.00 -0.00 2.28 3.32 -1.24 -3.33 116.42 117.45 2jtn h ASP 113 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2jtn h ASP 113 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2jtn h ASP 113 CO 0.02 0.30 -0.02 0.15 -1.72 0.00 0.00 179.24 177.97 2jtn h PHE 114 N 0.00 0.02 -0.99 4.55 3.04 -0.87 0.11 116.94 122.80 2jtn h PHE 114 Ca -0.03 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.08 2jtn h PHE 114 Cb 1.26 -0.00 -0.10 0.00 2.56 0.00 0.00 35.95 39.66 2jtn h PHE 114 CO 0.00 0.71 0.60 0.74 -2.02 0.00 0.00 178.31 178.34 2jtn h PHE 115 N -0.67 1.06 0.00 0.41 0.04 -1.61 1.04 116.94 117.22 2jtn h PHE 115 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2jtn h PHE 115 Cb 0.71 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2jtn h PHE 115 CO 0.17 0.27 -0.15 0.87 -0.60 0.00 0.00 178.31 178.87 2jtn h LYS 116 N 0.80 0.00 -0.08 1.51 1.57 -1.66 -2.41 116.57 116.30 2jtn h LYS 116 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2jtn h LYS 116 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2jtn h LYS 116 CO -0.36 0.00 0.05 0.00 -0.57 0.00 0.00 179.45 178.57 2jtn h ARG 117 N -0.59 0.10 -0.78 3.15 2.47 -0.77 -3.05 114.38 114.91 2jtn h ARG 117 Ca 0.00 -0.01 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 2jtn h ARG 117 Cb 0.15 -0.02 -0.30 0.00 -1.65 0.00 0.00 29.97 28.15 2jtn h ARG 117 CO 0.00 0.06 0.10 1.19 0.56 0.00 0.00 179.97 181.89 2jtn n PHE 118 N -5.04 2.61 -3.73 3.04 3.01 0.34 -5.00 117.46 112.69 2jtn n PHE 118 Ca -0.06 -2.37 -0.06 0.00 1.01 0.00 0.00 57.45 55.98 2jtn n PHE 118 Cb 0.03 -0.85 -0.02 0.00 -0.01 0.00 0.00 39.48 38.64 2jtn n PHE 118 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2jtn s GLY 119 N -2.52 -0.25 0.76 1.37 0.00 -0.13 -4.63 107.32 101.93 2jtn s GLY 119 Ca 0.55 0.13 -0.14 0.00 0.00 0.00 0.00 44.72 45.27 2jtn s GLY 119 CO 0.02 0.03 1.21 -1.59 0.00 0.00 0.00 173.10 172.76 2jtn s THR 120 N -3.47 2.20 0.13 0.90 2.01 -1.15 -4.28 115.64 111.98 2jtn s THR 120 Ca 0.10 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 2jtn s THR 120 Cb -0.03 -2.60 0.07 0.00 0.01 0.00 0.00 72.50 69.96 2jtn s THR 120 CO 0.01 -0.06 0.70 -0.75 -0.69 0.00 0.00 174.62 173.83 2jtn s LYS 121 N -4.02 1.20 0.29 4.92 2.20 -1.26 -4.20 119.74 118.86 2jtn s LYS 121 Ca 0.74 -0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 55.58 2jtn s LYS 121 Cb -0.29 0.53 -0.10 0.00 -1.51 0.00 0.00 37.83 36.46 2jtn s LYS 121 CO 0.48 -0.53 1.38 0.00 -0.36 0.00 0.00 175.35 176.32 2jtn n ALA 123 N 1.63 5.20 0.06 0.00 0.00 -1.26 -3.10 120.51 123.04 2jtn n ALA 123 Ca 0.04 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.94 2jtn n ALA 123 Cb 0.41 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2jtn n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtn n ALA 124 N -0.92 3.00 -0.06 0.00 0.00 -1.26 -4.86 120.51 116.41 2jtn n ALA 124 Ca 0.52 0.00 0.05 0.00 0.00 0.00 0.00 53.44 54.02 2jtn n ALA 124 Cb 1.53 0.22 0.13 0.00 0.00 0.00 0.00 19.45 21.33 2jtn n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtn n GLN 126 N 0.52 -1.70 -3.24 0.00 3.00 -1.18 -4.95 117.38 109.83 2jtn n GLN 126 Ca 0.11 1.01 -0.40 0.00 -0.01 0.00 0.00 57.00 57.71 2jtn n GLN 126 Cb 0.40 -5.66 -0.07 0.00 0.00 0.00 0.00 30.24 24.91 2jtn n GLN 126 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2jtn s LEU 127 N -5.95 4.09 -0.21 1.08 2.96 -1.26 -4.84 118.68 114.55 2jtn s LEU 127 Ca 0.00 0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 54.18 2jtn s LEU 127 Cb 0.00 -2.67 -0.08 0.00 0.50 0.00 0.00 46.19 43.94 2jtn s LEU 127 CO 0.00 -0.24 2.16 0.61 -1.32 0.00 0.00 176.35 177.56 2jtn n GLY 128 N 4.19 1.04 3.73 7.98 0.00 -1.26 -2.15 105.19 118.72 2jtn n GLY 128 Ca -0.04 0.83 -0.42 0.00 0.00 0.00 0.00 46.02 46.39 2jtn n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtn s ILE 129 N 7.30 3.55 0.95 -0.61 1.01 -1.26 -4.92 121.20 127.22 2jtn s ILE 129 Ca 1.01 1.22 -0.14 0.00 0.00 0.00 0.00 60.65 62.73 2jtn s ILE 129 Cb -0.50 -3.78 0.08 0.00 0.01 0.00 0.00 42.46 38.28 2jtn s ILE 129 CO 0.41 0.15 -0.04 -2.65 0.00 0.00 0.00 174.94 172.81 2jtn n PRO 130 N 3.09 -1.51 -0.03 2.79 -0.02 -1.26 -4.87 135.00 133.18 2jtn n PRO 130 Ca 0.07 -0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 60.99 2jtn n PRO 130 Cb 0.44 -1.37 -0.10 0.00 -0.02 0.00 0.00 33.50 32.45 2jtn n PRO 130 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jtn h PRO 131 N -2.25 -0.04 0.00 0.52 0.11 -1.97 -3.40 132.00 124.96 2jtn h PRO 131 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 2jtn h PRO 131 Cb 0.84 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2jtn h PRO 131 CO 0.18 0.64 -0.25 2.41 -0.21 0.00 0.00 178.00 180.77 2jtn n THR 132 N -4.73 1.37 0.00 -1.15 -1.04 -1.26 0.68 114.28 108.14 2jtn n THR 132 Ca -0.08 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.14 2jtn n THR 132 Cb 0.34 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 2jtn n THR 132 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtn n GLN 133 N -0.93 -1.16 -4.06 -2.82 10.64 -1.26 -4.70 117.38 113.08 2jtn n GLN 133 Ca 0.12 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.97 2jtn n GLN 133 Cb 0.69 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.92 2jtn n GLN 133 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2jtn s VAL 134 N -0.79 2.17 0.16 -0.39 1.01 -1.26 -3.46 120.40 117.84 2jtn s VAL 134 Ca 0.00 -1.71 -0.20 0.00 0.00 0.00 0.00 61.98 60.07 2jtn s VAL 134 Cb 0.00 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 34.11 2jtn s VAL 134 CO 0.00 -0.10 0.52 0.54 0.00 0.00 0.00 175.10 176.06 2jtn s VAL 135 N 1.08 0.03 -0.11 2.92 0.11 -1.26 -4.80 120.40 118.37 2jtn s VAL 135 Ca -0.07 -0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 58.51 2jtn s VAL 135 Cb -0.20 -1.17 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 2jtn s VAL 135 CO -0.05 -0.13 0.27 0.00 -3.33 0.00 0.00 175.10 171.86 2jtn s ARG 136 N -3.79 3.97 -0.09 1.54 3.03 -1.26 0.11 118.95 122.45 2jtn s ARG 136 Ca 0.03 0.10 0.01 0.00 2.03 0.00 0.00 55.73 57.90 2jtn s ARG 136 Cb -0.00 -3.32 -0.02 0.00 -1.03 0.00 0.00 34.95 30.58 2jtn s ARG 136 CO -0.11 0.48 -0.10 -0.98 -1.13 0.00 0.00 175.30 173.47 2jtn s ARG 137 N -0.27 2.99 -0.73 3.89 1.04 -1.26 -3.35 118.95 121.25 2jtn s ARG 137 Ca 0.17 -0.62 -0.26 0.00 -1.04 0.00 0.00 55.73 53.99 2jtn s ARG 137 Cb -0.14 -2.59 -0.02 0.00 -2.04 0.00 0.00 34.95 30.16 2jtn s ARG 137 CO 0.06 0.47 1.81 0.00 -0.04 0.00 0.00 175.30 177.60 2jtn s ALA 138 N -0.31 2.10 0.00 7.88 0.00 0.29 -4.75 121.76 126.97 2jtn s ALA 138 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2jtn s ALA 138 Cb -0.13 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.61 2jtn s ALA 138 CO 0.02 -4.09 0.00 1.04 0.00 0.00 0.00 175.76 172.73 2jtn n GLN 139 N 9.10 0.00 -0.06 0.00 6.02 -1.26 -0.56 117.38 130.61 2jtn n GLN 139 Ca 0.25 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.02 2jtn n GLN 139 Cb 0.50 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.64 2jtn n GLN 139 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2jtn n ASP 140 N 1.64 1.97 -4.93 1.08 -0.08 -1.26 -4.97 116.55 110.00 2jtn n ASP 140 Ca 0.00 0.33 -0.25 0.00 -1.51 0.00 0.00 54.79 53.36 2jtn n ASP 140 Cb 0.00 -0.92 0.03 0.00 2.34 0.00 0.00 41.12 42.58 2jtn n ASP 140 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2jtn s PHE 141 N -2.45 3.15 0.13 -0.67 0.40 0.27 -5.10 117.98 113.72 2jtn s PHE 141 Ca -0.27 0.46 0.09 0.00 -0.60 0.00 0.00 56.93 56.61 2jtn s PHE 141 Cb 0.07 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 2jtn s PHE 141 CO 0.66 -0.83 -0.20 0.54 0.70 0.00 0.00 175.22 176.09 2jtn s VAL 142 N -2.92 2.72 0.35 -0.44 0.11 -1.26 0.10 120.40 119.07 2jtn s VAL 142 Ca 0.54 -1.60 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 2jtn s VAL 142 Cb -0.10 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 2jtn s VAL 142 CO 0.43 0.07 0.13 -0.31 -3.33 0.00 0.00 175.10 172.09 2jtn s TYR 143 N -1.20 1.74 0.73 1.54 1.51 -1.21 -4.10 117.35 116.35 2jtn s TYR 143 Ca 0.18 -1.26 -0.12 0.00 -1.01 0.00 0.00 57.07 54.86 2jtn s TYR 143 Cb -0.10 -1.05 0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2jtn s TYR 143 CO 0.10 -0.34 1.11 -1.58 -1.11 0.00 0.00 175.55 173.73 2jtn s HIS 144 N -3.40 3.22 0.08 2.71 2.46 -1.26 -4.59 115.29 114.52 2jtn s HIS 144 Ca 0.31 1.02 0.02 0.00 0.47 0.00 0.00 55.06 56.89 2jtn s HIS 144 Cb 0.05 -3.13 -0.24 0.00 -0.13 0.00 0.00 32.58 29.12 2jtn s HIS 144 CO 0.16 -1.33 1.15 -0.07 -2.47 0.00 0.00 174.74 172.18 2jtn h LEU 145 N -0.76 0.19 0.01 8.88 4.07 -1.92 -3.09 115.31 122.69 2jtn h LEU 145 Ca -0.45 -0.21 -0.27 0.00 0.08 0.00 0.00 57.88 57.02 2jtn h LEU 145 Cb 1.26 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 2jtn h LEU 145 CO 0.64 1.17 -1.50 1.41 -1.08 0.00 0.00 178.44 179.08 2jtn n HIS 146 N -3.41 0.89 -0.04 1.13 8.25 -1.26 -4.19 115.22 116.59 2jtn n HIS 146 Ca -0.06 0.37 0.23 0.00 -0.26 0.00 0.00 57.72 57.99 2jtn n HIS 146 Cb 0.99 -1.09 0.71 0.00 1.12 0.00 0.00 29.99 31.71 2jtn n HIS 146 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jtn n PHE 148 N -4.28 2.10 -3.58 0.00 7.35 -1.17 -4.91 117.46 112.97 2jtn n PHE 148 Ca 0.12 -0.06 -0.07 0.00 -0.76 0.00 0.00 57.45 56.68 2jtn n PHE 148 Cb 0.71 -2.69 -0.04 0.00 0.35 0.00 0.00 39.48 37.81 2jtn n PHE 148 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jtn s ALA 149 N 6.26 -1.99 0.65 3.13 0.00 -1.26 -3.69 121.76 124.85 2jtn s ALA 149 Ca 0.98 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 54.32 2jtn s ALA 149 Cb -0.55 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2jtn s ALA 149 CO 0.44 -0.43 1.27 0.00 0.00 0.00 0.00 175.76 177.04 2jtn h VAL 151 N 0.53 0.94 0.00 0.00 -1.51 -0.75 0.24 116.25 115.70 2jtn h VAL 151 Ca -0.51 -0.58 -0.08 0.00 -1.23 0.00 0.00 66.70 64.29 2jtn h VAL 151 Cb 1.34 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 2jtn h VAL 151 CO 0.53 0.16 -0.98 0.52 -1.23 0.00 0.00 177.57 176.57 2jtn n VAL 152 N -4.09 1.20 0.22 7.19 0.31 -1.26 -4.65 118.33 117.25 2jtn n VAL 152 Ca -0.02 0.11 0.07 0.00 -0.01 0.00 0.00 64.34 64.48 2jtn n VAL 152 Cb 0.24 -1.91 0.51 0.00 -0.91 0.00 0.00 33.84 31.77 2jtn n VAL 152 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jtn n LYS 154 N -3.98 -3.85 -5.16 0.00 5.02 0.07 -4.82 118.16 105.44 2jtn n LYS 154 Ca -0.02 0.47 -0.32 0.00 -2.02 0.00 0.00 58.31 56.42 2jtn n LYS 154 Cb 0.32 -4.80 -0.16 0.00 -0.02 0.00 0.00 35.03 30.37 2jtn n LYS 154 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jtn s ARG 155 N -6.44 2.53 0.62 1.97 0.52 -1.26 -4.69 118.95 112.19 2jtn s ARG 155 Ca 0.10 -0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 54.28 2jtn s ARG 155 Cb -0.05 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 2jtn s ARG 155 CO 0.87 0.45 1.11 1.04 0.02 0.00 0.00 175.30 178.79 2jtn n GLN 156 N 2.78 1.03 -4.31 3.54 6.02 -1.24 -3.17 117.38 122.02 2jtn n GLN 156 Ca -0.17 0.40 -0.24 0.00 -0.01 0.00 0.00 57.00 56.98 2jtn n GLN 156 Cb 0.52 -2.33 -0.08 0.00 1.02 0.00 0.00 30.24 29.37 2jtn n GLN 156 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jtn s LEU 157 N -2.99 3.04 0.26 1.08 2.01 -1.26 -4.97 118.68 115.86 2jtn s LEU 157 Ca 0.78 -0.83 -0.05 0.00 0.01 0.00 0.00 54.13 54.04 2jtn s LEU 157 Cb -0.40 -1.50 -0.02 0.00 0.01 0.00 0.00 46.19 44.28 2jtn s LEU 157 CO 0.45 -0.11 0.34 0.00 1.01 0.00 0.00 176.35 178.04 2jtn s ALA 158 N -2.43 0.62 -0.13 4.21 0.00 -1.26 -5.05 121.76 117.72 2jtn s ALA 158 Ca 0.33 -1.39 -0.40 0.00 0.00 0.00 0.00 51.96 50.50 2jtn s ALA 158 Cb -0.04 1.23 -0.17 0.00 0.00 0.00 0.00 23.12 24.14 2jtn s ALA 158 CO 0.19 -0.74 1.46 2.41 0.00 0.00 0.00 175.76 179.09 2jtn n THR 159 N -0.40 0.10 0.00 0.00 -1.04 -1.26 0.09 114.28 111.77 2jtn n THR 159 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2jtn n THR 159 Cb 0.63 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 2jtn n THR 159 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jtn n GLY 160 N 3.10 3.26 3.71 3.41 0.00 0.28 -4.90 105.19 114.04 2jtn n GLY 160 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2jtn n GLY 160 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jtn s ASP 161 N -0.51 6.48 -0.19 1.61 -1.08 0.11 -4.67 116.67 118.43 2jtn s ASP 161 Ca 0.00 2.72 -0.22 0.00 -0.52 0.00 0.00 52.55 54.54 2jtn s ASP 161 Cb 0.00 -2.59 -0.02 0.00 -1.46 0.00 0.00 42.92 38.85 2jtn s ASP 161 CO 0.00 -0.91 0.68 -1.61 0.52 0.00 0.00 175.17 173.85 2jtn s GLU 162 N 1.51 4.23 0.05 4.34 2.02 -1.26 0.12 118.70 129.71 2jtn s GLU 162 Ca 0.74 0.72 -0.06 0.00 0.02 0.00 0.00 54.97 56.39 2jtn s GLU 162 Cb -0.46 -3.58 -0.01 0.00 0.10 0.00 0.00 34.13 30.18 2jtn s GLU 162 CO 0.32 -0.27 0.10 -0.59 0.02 0.00 0.00 175.26 174.85 2jtn s PHE 163 N 1.98 0.22 0.43 1.61 -0.71 -1.09 -4.60 117.98 115.83 2jtn s PHE 163 Ca 0.31 -0.58 0.07 0.00 -1.04 0.00 0.00 56.93 55.70 2jtn s PHE 163 Cb -0.16 -0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 2jtn s PHE 163 CO 0.11 -0.40 0.34 0.71 -1.34 0.00 0.00 175.22 174.64 2jtn s TYR 164 N -2.99 2.55 -0.13 3.49 2.02 0.30 -3.23 117.35 119.34 2jtn s TYR 164 Ca -0.02 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 2jtn s TYR 164 Cb 0.01 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 2jtn s TYR 164 CO -0.06 -0.11 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.50 2jtn s LEU 165 N -4.11 1.63 0.72 -1.29 2.96 -1.26 -2.49 118.68 114.84 2jtn s LEU 165 Ca 0.45 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 2jtn s LEU 165 Cb -0.02 -1.11 0.04 0.00 0.50 0.00 0.00 46.19 45.60 2jtn s LEU 165 CO 0.26 -0.05 1.08 -0.04 -1.32 0.00 0.00 176.35 176.29 2jtn s MET 166 N 1.39 2.50 0.43 1.98 -1.94 0.46 -4.89 119.30 119.23 2jtn s MET 166 Ca 0.02 0.19 0.17 0.00 -1.71 0.00 0.00 55.69 54.37 2jtn s MET 166 Cb -0.13 -2.05 0.99 0.00 2.01 0.00 0.00 34.83 35.65 2jtn s MET 166 CO -0.08 -1.19 1.94 0.93 -0.01 0.00 0.00 175.02 176.60 2jtn h GLU 167 N -0.71 0.00 -0.97 2.03 4.39 -2.00 -2.35 114.58 114.97 2jtn h GLU 167 Ca -0.45 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 58.82 2jtn h GLU 167 Cb 1.29 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.68 2jtn h GLU 167 CO 0.64 0.25 0.54 -0.25 -1.16 0.00 0.00 179.01 179.02 2jtn n ASP 168 N -4.02 3.78 -3.42 1.42 8.00 -1.26 -4.90 116.55 116.15 2jtn n ASP 168 Ca -0.02 -3.38 -0.19 0.00 0.71 0.00 0.00 54.79 51.91 2jtn n ASP 168 Cb 0.32 -0.79 0.06 0.00 -0.02 0.00 0.00 41.12 40.69 2jtn n ASP 168 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2jtn n SER 169 N -0.84 -4.91 -4.08 -2.24 7.64 -0.88 -5.01 113.62 103.30 2jtn n SER 169 Ca 0.51 -0.77 -0.28 0.00 1.01 0.00 0.00 58.87 59.34 2jtn n SER 169 Cb 1.51 -4.69 -0.17 0.00 -1.01 0.00 0.00 64.21 59.85 2jtn n SER 169 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jtn s ARG 170 N -5.07 2.17 0.09 1.43 0.52 -1.25 -4.89 118.95 111.94 2jtn s ARG 170 Ca 0.33 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 2jtn s ARG 170 Cb -0.06 -1.77 -0.05 0.00 0.52 0.00 0.00 34.95 33.59 2jtn s ARG 170 CO 0.77 0.03 1.01 -0.51 0.02 0.00 0.00 175.30 176.62 2jtn s LEU 171 N 0.72 4.45 -0.07 2.53 1.02 -1.26 -0.40 118.68 125.67 2jtn s LEU 171 Ca -0.13 1.84 -0.06 0.00 0.02 0.00 0.00 54.13 55.81 2jtn s LEU 171 Cb -0.16 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.49 2jtn s LEU 171 CO 0.03 -0.18 0.19 0.54 0.02 0.00 0.00 176.35 176.95 2jtn s VAL 172 N 0.30 -0.01 0.76 -1.59 0.11 -1.04 0.06 120.40 118.99 2jtn s VAL 172 Ca 0.50 0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 59.49 2jtn s VAL 172 Cb -0.24 -0.27 0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2jtn s VAL 172 CO 0.30 0.02 1.12 0.00 -3.33 0.00 0.00 175.10 173.21 2jtn h LYS 174 N -0.86 -0.23 -0.19 0.00 1.57 -1.96 0.44 116.57 115.34 2jtn h LYS 174 Ca -0.45 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.39 2jtn h LYS 174 Cb 1.31 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2jtn h LYS 174 CO 0.64 -0.15 0.21 0.00 -0.57 0.00 0.00 179.45 179.58 2jtn h ALA 175 N 0.63 1.80 0.00 3.86 0.00 -1.98 0.95 119.26 124.52 2jtn h ALA 175 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jtn h ALA 175 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jtn h ALA 175 CO -0.00 -0.31 -1.22 -0.25 0.00 0.00 0.00 179.25 177.47 2jtn n ASP 176 N -3.78 0.58 0.17 0.00 8.00 -0.69 -4.07 116.55 116.76 2jtn n ASP 176 Ca 0.02 -0.37 -0.08 0.00 0.71 0.00 0.00 54.79 55.07 2jtn n ASP 176 Cb 0.33 1.10 -0.04 0.00 -0.02 0.00 0.00 41.12 42.49 2jtn n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2jtn h TYR 177 N 0.00 -0.54 0.00 1.24 3.20 0.25 0.93 116.97 122.05 2jtn h TYR 177 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2jtn h TYR 177 Cb 0.73 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 2jtn h TYR 177 CO 0.00 -0.30 -0.14 0.93 -1.64 0.00 0.00 178.16 177.01 2jtn h GLU 178 N -0.48 0.00 -0.01 1.82 4.39 -1.79 0.71 114.58 119.22 2jtn h GLU 178 Ca -0.04 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 2jtn h GLU 178 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jtn h GLU 178 CO 0.04 0.14 -0.84 1.15 -1.16 0.00 0.00 179.01 178.34 2jtn h THR 179 N 0.00 1.46 0.01 1.13 2.02 -1.65 -3.35 112.91 112.53 2jtn h THR 179 Ca -0.00 -2.48 -0.22 0.00 0.77 0.00 0.00 66.41 64.48 2jtn h THR 179 Cb 0.28 2.37 -0.03 0.00 -1.74 0.00 0.00 68.15 69.03 2jtn h THR 179 CO 0.02 0.73 -1.17 0.00 0.37 0.00 0.00 175.52 175.46 2jtn h ALA 180 N 0.97 0.25 -2.96 6.16 0.00 0.15 -3.51 119.26 120.32 2jtn h ALA 180 Ca -0.04 -1.15 0.34 0.00 0.00 0.00 0.00 54.91 54.06 2jtn h ALA 180 Cb 1.45 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 19.80 2jtn h ALA 180 CO 0.13 0.66 -0.63 1.63 0.00 0.00 0.00 179.25 181.04 2jtn n LYS 181 N -4.41 -2.72 0.00 0.00 4.76 0.24 -5.07 118.16 110.96 2jtn n LYS 181 Ca -0.30 1.91 0.08 0.00 -2.87 0.00 0.00 58.31 57.12 2jtn n LYS 181 Cb 0.68 -3.28 0.07 0.00 -1.84 0.00 0.00 35.03 30.66 2jtn n LYS 181 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07