#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 0.00 -4.70 -3.46 7.64 -1.26 -4.90 113.62 106.93 2jtn n SER 2 Ca 0.00 0.45 -0.32 0.00 1.01 0.00 0.00 58.87 60.02 2jtn n SER 2 Cb 0.00 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 2jtn n SER 2 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2jtn s GLN 3 N -1.09 2.77 -0.62 1.43 0.74 -1.26 -5.08 119.66 116.55 2jtn s GLN 3 Ca 0.00 -0.66 0.04 0.00 0.05 0.00 0.00 55.36 54.79 2jtn s GLN 3 Cb 0.00 -2.66 0.16 0.00 1.10 0.00 0.00 33.01 31.60 2jtn s GLN 3 CO 0.00 0.60 0.41 0.14 -0.55 0.00 0.00 175.29 175.89 2jtn s VAL 4 N -1.18 2.55 0.08 1.34 -7.23 -1.26 -4.99 120.40 109.71 2jtn s VAL 4 Ca 0.22 -3.84 -0.30 0.00 -1.81 0.00 0.00 61.98 56.26 2jtn s VAL 4 Cb -0.12 -2.70 -0.13 0.00 0.56 0.00 0.00 36.38 33.99 2jtn s VAL 4 CO 0.14 -0.97 1.47 -0.65 -0.31 0.00 0.00 175.10 174.78 2jtn h PRO 5 N 5.75 -0.69 -1.33 4.82 0.11 -2.04 -3.41 132.00 135.21 2jtn h PRO 5 Ca 0.09 0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.04 2jtn h PRO 5 Cb 0.81 0.16 -0.22 0.00 0.11 0.00 0.00 31.00 31.85 2jtn h PRO 5 CO 0.67 -0.46 -0.57 -0.51 -0.21 0.00 0.00 178.00 176.93 2jtn s ASP 6 N -4.20 -0.65 0.20 -2.05 1.01 -1.26 -5.15 116.67 104.57 2jtn s ASP 6 Ca -0.14 -1.50 0.08 0.00 0.71 0.00 0.00 52.55 51.70 2jtn s ASP 6 Cb 0.04 1.41 -0.05 0.00 1.01 0.00 0.00 42.92 45.34 2jtn s ASP 6 CO 0.51 -0.15 -0.15 0.54 0.21 0.00 0.00 175.17 176.13 2jtn s VAL 7 N 1.25 1.78 0.39 -1.27 0.11 -1.26 -5.07 120.40 116.33 2jtn s VAL 7 Ca 0.23 -2.14 0.03 0.00 -2.93 0.00 0.00 61.98 57.16 2jtn s VAL 7 Cb -0.04 -2.00 0.03 0.00 -1.53 0.00 0.00 36.38 32.84 2jtn s VAL 7 CO -0.07 -0.52 0.22 0.23 -3.33 0.00 0.00 175.10 171.63 2jtn n MET 8 N -0.22 0.96 -3.68 1.54 0.00 -1.18 -5.04 117.12 109.50 2jtn n MET 8 Ca -0.09 -2.52 -0.12 0.00 0.00 0.00 0.00 57.70 54.97 2jtn n MET 8 Cb 0.60 0.38 -0.09 0.00 0.00 0.00 0.00 33.22 34.11 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 -2.05 -0.01 0.52 2.03 0.11 -1.26 -2.51 120.40 117.23 2jtn s VAL 9 Ca 0.17 0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 59.01 2jtn s VAL 9 Cb -0.01 -0.77 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 2jtn s VAL 9 CO 0.10 0.01 1.36 -0.69 -3.33 0.00 0.00 175.10 172.55 2jtn s VAL 10 N 0.71 2.15 0.05 2.04 1.01 0.31 -4.81 120.40 121.87 2jtn s VAL 10 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2jtn s VAL 10 Cb -0.05 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 2jtn s VAL 10 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2jtn n GLY 11 N 0.67 4.11 3.74 4.51 0.00 -1.26 0.30 105.19 117.26 2jtn n GLY 11 Ca 0.09 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 2jtn n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jtn s GLU 12 N -2.20 2.74 0.22 1.61 2.02 -1.26 -3.81 118.70 118.03 2jtn s GLU 12 Ca 0.00 2.07 -0.30 0.00 0.02 0.00 0.00 54.97 56.77 2jtn s GLU 12 Cb 0.00 -1.95 -0.09 0.00 0.10 0.00 0.00 34.13 32.20 2jtn s GLU 12 CO 0.00 -1.45 1.00 -1.25 0.02 0.00 0.00 175.26 173.57 2jtn s PRO 13 N -3.26 4.76 -0.23 0.39 0.05 -1.26 -4.76 135.00 130.69 2jtn s PRO 13 Ca 0.80 1.58 -0.27 0.00 0.05 0.00 0.00 61.00 63.16 2jtn s PRO 13 Cb -0.37 -3.27 0.10 0.00 0.05 0.00 0.00 34.50 31.00 2jtn s PRO 13 CO 0.41 0.36 0.87 -0.08 0.05 0.00 0.00 177.00 178.60 2jtn s THR 14 N -0.91 0.00 0.45 1.26 -1.32 0.44 -4.47 115.64 111.09 2jtn s THR 14 Ca 0.43 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.96 2jtn s THR 14 Cb -0.27 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.67 2jtn s THR 14 CO 0.34 0.00 0.01 -0.76 -2.21 0.00 0.00 174.62 172.00 2jtn s LEU 15 N -0.12 2.64 0.26 9.08 1.43 -1.25 -4.35 118.68 126.37 2jtn s LEU 15 Ca -0.01 -1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 51.60 2jtn s LEU 15 Cb -0.04 -0.84 0.34 0.00 0.03 0.00 0.00 46.19 45.69 2jtn s LEU 15 CO -0.00 -0.62 1.72 0.00 0.23 0.00 0.00 176.35 177.68 2jtn h MET 16 N 1.58 0.66 -5.16 1.70 -0.00 -1.90 -3.48 114.93 108.33 2jtn h MET 16 Ca -0.44 -0.22 0.01 0.00 -0.00 0.00 0.00 59.70 59.05 2jtn h MET 16 Cb 1.27 -0.06 -0.11 0.00 -0.00 0.00 0.00 31.60 32.71 2jtn h MET 16 CO 0.78 0.78 -1.38 0.41 -0.00 0.00 0.00 176.91 177.50 2jtn n GLY 17 N -0.47 -4.58 0.49 -3.00 0.00 0.25 -4.95 105.19 92.93 2jtn n GLY 17 Ca 0.01 1.48 0.00 0.00 0.00 0.00 0.00 46.02 47.51 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 1.68 0.00 2.83 -0.02 0.00 -1.20 -4.88 105.19 103.60 2jtn n GLY 18 Ca -0.33 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.46 -2.00 -0.35 1.61 2.13 -1.26 -4.90 120.64 114.41 2jtn n GLU 19 Ca 0.00 1.89 -0.01 0.00 0.66 0.00 0.00 57.16 59.70 2jtn n GLU 19 Cb 0.00 -5.49 0.15 0.00 0.27 0.00 0.00 31.44 26.37 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 1.51 1.20 -2.43 4.31 -5.15 -2.01 -3.48 116.94 110.88 2jtn h PHE 20 Ca 0.00 0.03 0.30 0.00 -0.20 0.00 0.00 57.97 58.10 2jtn h PHE 20 Cb 0.96 -0.40 -0.08 0.00 0.22 0.00 0.00 35.95 36.65 2jtn h PHE 20 CO 0.12 0.73 -0.40 0.41 -2.00 0.00 0.00 178.31 177.17 2jtn n GLY 21 N -1.39 -1.75 0.33 6.09 0.00 -1.26 -3.65 105.19 103.57 2jtn n GLY 21 Ca 0.12 -1.25 0.19 0.00 0.00 0.00 0.00 46.02 45.08 2jtn n GLY 21 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jtn h ASP 22 N -1.01 0.00 -0.42 1.61 3.04 -1.94 -1.53 116.42 116.17 2jtn h ASP 22 Ca 0.02 0.00 0.12 0.00 -3.24 0.00 0.00 57.03 53.93 2jtn h ASP 22 Cb 0.99 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.27 2jtn h ASP 22 CO 0.01 0.00 0.37 -0.08 -2.04 0.00 0.00 179.24 177.50 2jtn h GLU 23 N 0.00 0.00 0.00 4.15 4.57 -1.97 -3.19 114.58 118.14 2jtn h GLU 23 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2jtn h GLU 23 Cb 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2jtn h GLU 23 CO -0.00 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.58 2jtn n ASP 24 N -4.02 0.00 -4.92 1.04 9.92 -0.58 -4.92 116.55 113.07 2jtn n ASP 24 Ca 0.07 0.21 -0.27 0.00 -0.53 0.00 0.00 54.79 54.27 2jtn n ASP 24 Cb 0.56 -0.10 -0.02 0.00 -0.64 0.00 0.00 41.12 40.91 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 -0.47 3.58 -0.69 -1.24 2.56 -1.21 -5.02 118.70 116.22 2jtn s GLU 25 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 54.97 54.62 2jtn s GLU 25 Cb 0.00 -2.65 0.01 0.00 2.00 0.00 0.00 34.13 33.49 2jtn s GLU 25 CO 0.00 0.18 1.51 -0.98 -0.56 0.00 0.00 175.26 175.41 2jtn s ARG 26 N -3.80 2.97 0.85 4.30 1.70 -1.26 -4.68 118.95 119.03 2jtn s ARG 26 Ca 0.43 0.09 -0.10 0.00 -0.47 0.00 0.00 55.73 55.68 2jtn s ARG 26 Cb -0.10 -4.26 0.10 0.00 -0.57 0.00 0.00 34.95 30.12 2jtn s ARG 26 CO 0.32 -2.37 1.12 -1.17 -1.08 0.00 0.00 175.30 172.12 2jtn s LEU 27 N 7.04 2.91 0.39 -1.89 2.96 -1.26 -4.68 118.68 124.15 2jtn s LEU 27 Ca 0.48 1.99 -0.27 0.00 -0.22 0.00 0.00 54.13 56.11 2jtn s LEU 27 Cb -0.10 -4.53 -0.10 0.00 0.50 0.00 0.00 46.19 41.97 2jtn s LEU 27 CO 0.17 -2.58 1.39 0.27 -1.32 0.00 0.00 176.35 174.29 2jtn s ILE 28 N -2.78 2.32 -0.32 6.68 -4.36 -1.26 -4.91 121.20 116.56 2jtn s ILE 28 Ca 0.64 0.30 -0.00 0.00 -0.26 0.00 0.00 60.65 61.33 2jtn s ILE 28 Cb -0.20 -3.19 0.07 0.00 1.25 0.00 0.00 42.46 40.39 2jtn s ILE 28 CO 0.57 0.06 0.02 -0.89 0.24 0.00 0.00 174.94 174.94 2jtn s THR 29 N -1.18 2.82 -0.67 8.37 2.01 -1.00 -4.88 115.64 121.11 2jtn s THR 29 Ca 0.55 -1.67 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 2jtn s THR 29 Cb -0.43 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.37 2jtn s THR 29 CO 0.56 -0.26 1.34 -0.13 -0.69 0.00 0.00 174.62 175.44 2jtn s ARG 30 N 1.16 3.21 0.15 4.92 0.52 -1.26 -2.72 118.95 124.93 2jtn s ARG 30 Ca -0.01 0.04 -0.03 0.00 -0.52 0.00 0.00 55.73 55.20 2jtn s ARG 30 Cb -0.20 -4.16 -0.03 0.00 0.52 0.00 0.00 34.95 31.07 2jtn s ARG 30 CO -0.03 -2.09 0.12 -0.48 0.02 0.00 0.00 175.30 172.84 2jtn s LEU 31 N 5.96 1.51 0.71 2.53 0.05 -1.17 -5.01 118.68 123.26 2jtn s LEU 31 Ca 0.42 -1.14 -0.13 0.00 0.05 0.00 0.00 54.13 53.33 2jtn s LEU 31 Cb -0.09 0.53 0.03 0.00 -2.05 0.00 0.00 46.19 44.61 2jtn s LEU 31 CO 0.19 -0.78 1.11 -0.70 -0.55 0.00 0.00 176.35 175.62 2jtn s GLU 32 N -4.04 2.52 0.00 1.48 2.12 -1.26 -0.79 118.70 118.74 2jtn s GLU 32 Ca 0.24 1.33 0.00 0.00 0.36 0.00 0.00 54.97 56.89 2jtn s GLU 32 Cb 0.06 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.53 2jtn s GLU 32 CO 0.02 -1.46 0.01 -1.71 -0.54 0.00 0.00 175.26 171.58 2jtn n ASN 33 N -2.89 0.09 -0.10 -1.70 2.85 0.29 -4.66 115.26 109.14 2jtn n ASN 33 Ca 0.10 -1.01 -0.13 0.00 -0.11 0.00 0.00 54.58 53.43 2jtn n ASN 33 Cb 0.52 -0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.39 2jtn n ASN 33 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2jtn n THR 34 N -0.97 1.45 -0.66 -0.44 5.66 -1.26 -4.98 114.28 113.08 2jtn n THR 34 Ca 0.00 -0.76 -0.29 0.00 -3.05 0.00 0.00 64.05 59.95 2jtn n THR 34 Cb 0.00 -0.83 0.25 0.00 -1.55 0.00 0.00 70.33 68.20 2jtn n THR 34 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2jtn s GLN 35 N -2.51 -1.37 0.00 1.09 1.11 -1.26 -4.93 119.66 111.79 2jtn s GLN 35 Ca -0.17 0.47 0.00 0.00 0.01 0.00 0.00 55.36 55.67 2jtn s GLN 35 Cb 0.07 -1.53 0.00 0.00 -1.01 0.00 0.00 33.01 30.54 2jtn s GLN 35 CO 0.76 -3.93 0.00 0.34 0.01 0.00 0.00 175.29 172.47 2jtn n PHE 36 N -5.01 -0.17 -2.04 0.91 -0.00 -1.26 -4.80 117.46 105.09 2jtn n PHE 36 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.54 2jtn n PHE 36 Cb 0.57 0.03 0.11 0.00 -0.00 0.00 0.00 39.48 40.20 2jtn n PHE 36 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2jtn n ASP 37 N -1.19 1.73 0.11 -2.13 8.00 -1.26 -4.68 116.55 117.13 2jtn n ASP 37 Ca 0.00 -3.09 -0.04 0.00 0.71 0.00 0.00 54.79 52.38 2jtn n ASP 37 Cb 0.00 -0.43 0.11 0.00 -0.02 0.00 0.00 41.12 40.78 2jtn n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jtn h ALA 38 N 1.21 0.83 -0.87 2.24 0.00 -1.93 -3.43 119.26 117.31 2jtn h ALA 38 Ca -0.06 -0.60 0.11 0.00 0.00 0.00 0.00 54.91 54.36 2jtn h ALA 38 Cb 1.39 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.87 2jtn h ALA 38 CO 0.12 0.81 -0.21 0.00 0.00 0.00 0.00 179.25 179.97 2jtn s ALA 39 N -3.53 -2.51 0.16 0.00 0.00 -1.26 -5.04 121.76 109.58 2jtn s ALA 39 Ca -0.02 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2jtn s ALA 39 Cb 0.12 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2jtn s ALA 39 CO 0.79 -1.42 0.00 -1.71 0.00 0.00 0.00 175.76 173.42 2jtn n ASN 40 N 5.43 -7.11 0.00 0.00 4.05 -1.26 -4.94 115.26 111.43 2jtn n ASN 40 Ca -0.01 0.76 0.00 0.00 0.45 0.00 0.00 54.58 55.78 2jtn n ASN 40 Cb 0.52 -2.15 0.00 0.00 1.23 0.00 0.00 39.78 39.38 2jtn n ASN 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jtn n GLY 41 N -2.09 2.47 3.67 8.20 0.00 -1.26 -4.68 105.19 111.50 2jtn n GLY 41 Ca 0.00 -0.69 -0.48 0.00 0.00 0.00 0.00 46.02 44.86 2jtn n GLY 41 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jtn n ILE 42 N 0.00 0.28 -1.44 -0.61 0.13 -1.26 -4.66 119.36 111.80 2jtn n ILE 42 Ca 0.00 -0.05 0.19 0.00 -1.10 0.00 0.00 62.75 61.79 2jtn n ILE 42 Cb 0.00 -1.65 -0.05 0.00 -0.84 0.00 0.00 39.64 37.10 2jtn n ILE 42 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 2jtn n ASP 43 N 4.95 -8.57 -4.22 9.51 9.92 -1.26 -4.50 116.55 122.38 2jtn n ASP 43 Ca 0.20 0.63 -0.41 0.00 -0.53 0.00 0.00 54.79 54.68 2jtn n ASP 43 Cb 0.28 -4.40 -0.04 0.00 -0.64 0.00 0.00 41.12 36.32 2jtn n ASP 43 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2jtn s ASP 44 N -7.15 6.37 -0.13 -2.24 1.11 -1.26 -5.05 116.67 108.32 2jtn s ASP 44 Ca 0.00 -3.28 -0.27 0.00 0.18 0.00 0.00 52.55 49.18 2jtn s ASP 44 Cb 0.00 -2.05 -0.02 0.00 1.07 0.00 0.00 42.92 41.93 2jtn s ASP 44 CO 0.00 -0.34 0.88 -0.70 1.18 0.00 0.00 175.17 176.20 2jtn s GLU 45 N -0.73 4.36 -0.29 8.23 2.12 -1.26 -5.01 118.70 126.12 2jtn s GLU 45 Ca 0.24 1.15 -0.25 0.00 0.36 0.00 0.00 54.97 56.46 2jtn s GLU 45 Cb -0.11 -3.55 0.17 0.00 0.26 0.00 0.00 34.13 30.90 2jtn s GLU 45 CO -0.09 -0.27 1.29 0.20 -0.54 0.00 0.00 175.26 175.85 2jtn s GLY 46 N 1.09 0.15 0.00 -1.50 0.00 -1.26 -5.01 107.32 100.80 2jtn s GLY 46 Ca 0.42 3.17 0.00 0.00 0.00 0.00 0.00 44.72 48.31 2jtn s GLY 46 CO 0.15 1.84 0.00 0.61 0.00 0.00 0.00 173.10 175.71 2jtn n GLY 47 N 1.72 2.89 3.88 0.20 0.00 -1.26 -5.01 105.19 107.62 2jtn n GLY 47 Ca -0.11 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 2jtn n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jtn s SER 48 N 0.00 6.40 0.00 1.61 0.15 -1.26 -4.98 113.70 115.61 2jtn s SER 48 Ca 0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2jtn s SER 48 Cb 0.00 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2jtn s SER 48 CO 0.00 0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.45 2jtn n GLY 49 N 1.91 2.39 3.24 9.45 0.00 -1.26 -5.11 105.19 115.82 2jtn n GLY 49 Ca -0.19 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.39 2jtn n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtn s GLY 50 N 0.00 -0.31 -0.01 -0.02 0.00 -1.26 -5.12 107.32 100.60 2jtn s GLY 50 Ca 0.00 2.85 -0.15 0.00 0.00 0.00 0.00 44.72 47.42 2jtn s GLY 50 CO 0.00 3.55 0.41 -1.58 0.00 0.00 0.00 173.10 175.48 2jtn s HIS 51 N 2.71 3.70 -0.14 1.90 2.46 -1.26 -5.02 115.29 119.65 2jtn s HIS 51 Ca 0.00 0.98 -0.11 0.00 0.47 0.00 0.00 55.06 56.40 2jtn s HIS 51 Cb -0.09 -2.31 -0.08 0.00 -0.13 0.00 0.00 32.58 29.97 2jtn s HIS 51 CO -0.14 0.59 0.09 1.98 -2.47 0.00 0.00 174.74 174.79 2jtn h MET 52 N 4.93 0.00 0.00 2.88 4.05 -2.04 -3.44 114.93 121.31 2jtn h MET 52 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2jtn h MET 52 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 2jtn h MET 52 CO 0.63 0.32 0.00 0.41 0.23 0.00 0.00 176.91 178.50 2jtn n GLY 53 N 1.64 -2.23 1.55 1.39 0.00 -1.26 -5.04 105.19 101.23 2jtn n GLY 53 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jtn n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jtn n SER 54 N 0.00 -0.50 -1.46 1.61 2.88 -1.26 -5.17 113.62 109.72 2jtn n SER 54 Ca 0.00 0.12 0.18 0.00 -1.33 0.00 0.00 58.87 57.84 2jtn n SER 54 Cb 0.00 0.80 -0.08 0.00 -0.75 0.00 0.00 64.21 64.18 2jtn n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jtn n GLY 55 N -1.48 -2.98 0.00 0.46 0.00 -1.26 -4.99 105.19 94.93 2jtn n GLY 55 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.35 -0.46 3.25 -0.02 0.00 -1.26 -5.05 105.19 97.31 2jtn n GLY 56 Ca -0.07 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.97 5.02 0.85 2.61 2.01 -1.26 -5.07 115.64 116.83 2jtn s THR 57 Ca 0.00 -2.70 -0.11 0.00 0.31 0.00 0.00 61.69 59.19 2jtn s THR 57 Cb 0.00 -4.13 0.10 0.00 0.01 0.00 0.00 72.50 68.48 2jtn s THR 57 CO 0.00 -0.99 1.10 -2.16 -0.69 0.00 0.00 174.62 171.88 2jtn s PRO 58 N -0.01 1.60 -1.73 4.92 0.04 -1.26 -3.54 135.00 135.03 2jtn s PRO 58 Ca 0.18 1.12 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 2jtn s PRO 58 Cb -0.13 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2jtn s PRO 58 CO -0.07 -2.09 0.14 0.39 0.04 0.00 0.00 177.00 175.41 2jtn n GLU 59 N -3.82 -2.43 -4.15 4.56 1.02 -1.26 -4.98 120.64 109.58 2jtn n GLU 59 Ca 0.09 0.98 -0.35 0.00 -0.02 0.00 0.00 57.16 57.86 2jtn n GLU 59 Cb 0.54 -5.70 -0.09 0.00 -0.02 0.00 0.00 31.44 26.16 2jtn n GLU 59 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2jtn s ILE 60 N -3.07 4.65 0.13 -3.67 1.10 -1.23 -5.07 121.20 114.05 2jtn s ILE 60 Ca 0.07 -0.10 -0.31 0.00 -0.51 0.00 0.00 60.65 59.80 2jtn s ILE 60 Cb -0.03 -3.04 -0.10 0.00 0.15 0.00 0.00 42.46 39.44 2jtn s ILE 60 CO 0.09 0.54 1.80 -2.16 -2.11 0.00 0.00 174.94 173.09 2jtn s PRO 61 N -0.25 4.14 0.18 3.50 0.04 -1.26 -4.82 135.00 136.53 2jtn s PRO 61 Ca 0.07 2.58 -0.25 0.00 0.04 0.00 0.00 61.00 63.44 2jtn s PRO 61 Cb -0.12 -3.52 -0.08 0.00 0.04 0.00 0.00 34.50 30.82 2jtn s PRO 61 CO 0.02 -0.82 0.79 -1.64 0.04 0.00 0.00 177.00 175.39 2jtn s MET 62 N 2.50 4.57 1.04 4.56 -1.94 -1.26 -3.90 119.30 124.87 2jtn s MET 62 Ca 0.79 1.17 -0.13 0.00 -1.71 0.00 0.00 55.69 55.82 2jtn s MET 62 Cb -0.46 -3.22 0.17 0.00 2.01 0.00 0.00 34.83 33.33 2jtn s MET 62 CO 0.35 0.55 0.82 0.00 -0.01 0.00 0.00 175.02 176.73 2jtn s ALA 64 N -2.47 3.43 0.00 0.00 0.00 -1.22 -4.32 121.76 117.18 2jtn s ALA 64 Ca 0.64 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2jtn s ALA 64 Cb -0.22 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2jtn s ALA 64 CO 0.63 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2jtn n GLY 65 N 4.39 2.27 3.92 0.00 0.00 -1.26 -4.03 105.19 110.49 2jtn n GLY 65 Ca 0.06 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.09 6.03 -0.30 0.00 1.11 -1.26 -4.21 116.67 114.95 2jtn s ASP 67 Ca 0.34 -1.53 -0.17 0.00 0.18 0.00 0.00 52.55 51.37 2jtn s ASP 67 Cb -0.11 -2.57 0.21 0.00 1.07 0.00 0.00 42.92 41.51 2jtn s ASP 67 CO 0.28 -1.96 1.28 -1.58 1.18 0.00 0.00 175.17 174.36 2jtn s GLN 68 N 5.51 0.03 0.91 8.23 0.74 -1.26 -5.00 119.66 128.82 2jtn s GLN 68 Ca 0.57 0.06 -0.11 0.00 0.05 0.00 0.00 55.36 55.93 2jtn s GLN 68 Cb -0.01 0.02 0.14 0.00 1.10 0.00 0.00 33.01 34.26 2jtn s GLN 68 CO -0.00 -0.01 1.11 -3.38 -0.55 0.00 0.00 175.29 172.46 2jtn s HIS 69 N 1.27 1.90 0.22 1.67 0.00 -1.26 -0.05 115.29 119.05 2jtn s HIS 69 Ca -0.06 1.59 -0.04 0.00 -3.00 0.00 0.00 55.06 53.55 2jtn s HIS 69 Cb -0.02 -3.22 -0.05 0.00 -4.00 0.00 0.00 32.58 25.29 2jtn s HIS 69 CO -0.11 -2.65 0.45 0.42 -1.00 0.00 0.00 174.74 171.85 2jtn s ILE 70 N -2.72 5.11 -0.01 -5.38 -1.09 -1.25 -4.62 121.20 111.24 2jtn s ILE 70 Ca 0.65 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 2jtn s ILE 70 Cb -0.21 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 2jtn s ILE 70 CO 0.58 -0.16 0.91 0.00 -1.23 0.00 0.00 174.94 175.04 2jtn n LEU 71 N -0.53 -0.91 -4.97 2.97 -0.00 -1.26 -5.04 117.00 107.27 2jtn n LEU 71 Ca -0.03 -1.83 -0.21 0.00 -0.00 0.00 0.00 56.01 53.94 2jtn n LEU 71 Cb 0.53 0.01 0.02 0.00 -0.00 0.00 0.00 43.42 43.98 2jtn n LEU 71 CO 0.48 1.40 0.19 -1.81 -0.00 0.00 0.00 177.39 177.65 2jtn s ASP 72 N -0.90 5.04 0.00 1.45 1.01 -1.26 -4.65 116.67 117.36 2jtn s ASP 72 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 52.55 52.38 2jtn s ASP 72 Cb 0.01 0.08 0.00 0.00 1.01 0.00 0.00 42.92 44.02 2jtn s ASP 72 CO -0.00 -1.10 0.00 0.54 0.21 0.00 0.00 175.17 174.82 2jtn n ARG 73 N -1.96 0.00 -2.02 8.23 3.00 -1.26 -4.55 116.66 118.10 2jtn n ARG 73 Ca 0.08 0.07 -0.35 0.00 -0.01 0.00 0.00 57.85 57.64 2jtn n ARG 73 Cb 0.62 -0.51 -0.04 0.00 0.00 0.00 0.00 32.46 32.54 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 -0.17 1.66 -0.07 -1.55 0.40 -1.26 0.11 117.98 117.10 2jtn s PHE 74 Ca 0.00 0.80 -0.03 0.00 -0.60 0.00 0.00 56.93 57.10 2jtn s PHE 74 Cb 0.00 -4.05 -0.04 0.00 0.51 0.00 0.00 43.02 39.45 2jtn s PHE 74 CO 0.00 -2.17 0.05 -1.50 0.70 0.00 0.00 175.22 172.30 2jtn s ILE 75 N 9.54 4.66 -0.50 0.64 -1.16 0.03 -4.92 121.20 129.49 2jtn s ILE 75 Ca 0.69 -0.20 -0.22 0.00 -0.51 0.00 0.00 60.65 60.42 2jtn s ILE 75 Cb -0.11 -3.02 0.04 0.00 0.61 0.00 0.00 42.46 39.98 2jtn s ILE 75 CO 0.15 0.55 0.78 -0.76 -2.81 0.00 0.00 174.94 172.85 2jtn s LEU 76 N -1.12 4.44 -0.34 8.50 1.02 -1.23 -3.03 118.68 126.92 2jtn s LEU 76 Ca 0.16 -0.48 -0.20 0.00 0.02 0.00 0.00 54.13 53.63 2jtn s LEU 76 Cb -0.12 -2.72 -0.00 0.00 0.02 0.00 0.00 46.19 43.37 2jtn s LEU 76 CO 0.05 -1.01 0.62 -0.75 0.02 0.00 0.00 176.35 175.29 2jtn s LYS 77 N 3.28 3.74 0.12 1.70 2.20 -1.10 0.59 119.74 130.28 2jtn s LYS 77 Ca 0.25 0.11 -0.20 0.00 -0.36 0.00 0.00 55.97 55.76 2jtn s LYS 77 Cb -0.15 -3.78 0.05 0.00 -1.51 0.00 0.00 37.83 32.44 2jtn s LYS 77 CO 0.18 -0.68 0.51 0.00 -0.36 0.00 0.00 175.35 175.00 2jtn s ALA 78 N 2.65 -1.31 -1.49 3.13 0.00 0.28 -2.37 121.76 122.66 2jtn s ALA 78 Ca 0.24 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 2jtn s ALA 78 Cb -0.15 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.70 2jtn s ALA 78 CO 0.14 -0.67 0.79 1.28 0.00 0.00 0.00 175.76 177.30 2jtn n LEU 79 N -0.17 -2.86 -2.16 0.00 4.77 -1.26 -1.42 117.00 113.89 2jtn n LEU 79 Ca -0.17 -0.38 -0.19 0.00 -0.03 0.00 0.00 56.01 55.24 2jtn n LEU 79 Cb 0.64 -2.96 -0.01 0.00 -2.33 0.00 0.00 43.42 38.76 2jtn n LEU 79 CO 0.15 0.37 -0.23 0.47 -1.33 0.00 0.00 177.39 176.82 2jtn n ASP 80 N -2.68 -5.43 -3.37 -1.43 9.92 -1.26 -4.93 116.55 107.37 2jtn n ASP 80 Ca -0.07 -0.03 -0.03 0.00 -0.53 0.00 0.00 54.79 54.13 2jtn n ASP 80 Cb 0.60 -4.48 0.02 0.00 -0.64 0.00 0.00 41.12 36.62 2jtn n ASP 80 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2jtn s ARG 81 N -4.96 1.32 -0.22 -1.24 0.52 -0.51 -5.15 118.95 108.71 2jtn s ARG 81 Ca 0.01 -0.85 -0.14 0.00 -0.52 0.00 0.00 55.73 54.24 2jtn s ARG 81 Cb -0.01 0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.79 2jtn s ARG 81 CO 0.01 -0.62 0.31 -3.38 0.02 0.00 0.00 175.30 171.64 2jtn s HIS 82 N -2.19 3.35 -0.11 -0.53 -3.43 -1.26 0.10 115.29 111.23 2jtn s HIS 82 Ca 0.22 0.46 0.01 0.00 -0.80 0.00 0.00 55.06 54.95 2jtn s HIS 82 Cb -0.03 -2.43 -0.02 0.00 -1.43 0.00 0.00 32.58 28.68 2jtn s HIS 82 CO 0.05 0.01 -0.13 -1.58 -2.00 0.00 0.00 174.74 171.10 2jtn s TRP 83 N 1.23 2.80 1.22 0.38 0.52 0.20 -3.40 118.94 121.89 2jtn s TRP 83 Ca 0.14 -0.46 -0.17 0.00 0.02 0.00 0.00 56.10 55.63 2jtn s TRP 83 Cb -0.14 -1.78 0.26 0.00 -1.15 0.00 0.00 33.47 30.65 2jtn s TRP 83 CO 0.07 -0.07 0.63 1.58 0.02 0.00 0.00 176.95 179.18 2jtn n HIS 84 N 3.13 -2.06 0.14 -1.98 -0.00 -1.26 -3.52 115.22 109.66 2jtn n HIS 84 Ca -0.18 -0.23 -0.24 0.00 0.46 0.00 0.00 57.72 57.53 2jtn n HIS 84 Cb 0.53 -1.54 -0.16 0.00 -0.12 0.00 0.00 29.99 28.70 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 -2.78 0.80 0.43 0.26 0.87 -1.94 -3.05 113.55 108.14 2jtn h SER 85 Ca -0.52 -0.92 -0.30 0.00 -1.23 0.00 0.00 61.79 58.82 2jtn h SER 85 Cb 1.28 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.93 2jtn h SER 85 CO 0.37 1.67 -1.78 0.29 -0.53 0.00 0.00 176.83 176.86 2jtn n LYS 86 N -3.78 0.64 0.15 2.24 4.76 -1.26 -4.06 118.16 116.85 2jtn n LYS 86 Ca -0.17 0.27 0.01 0.00 -2.87 0.00 0.00 58.31 55.56 2jtn n LYS 86 Cb 1.07 -1.77 0.33 0.00 -1.84 0.00 0.00 35.03 32.82 2jtn n LYS 86 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jtn s LEU 88 N -8.31 3.20 0.13 0.00 2.96 -1.15 -4.85 118.68 110.66 2jtn s LEU 88 Ca -0.04 -1.70 -0.00 0.00 -0.22 0.00 0.00 54.13 52.17 2jtn s LEU 88 Cb 0.14 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 2jtn s LEU 88 CO 0.74 -2.70 0.02 -0.54 -1.32 0.00 0.00 176.35 172.55 2jtn s LYS 89 N 6.11 0.92 0.43 1.98 -0.14 -1.26 -2.64 119.74 125.14 2jtn s LYS 89 Ca 0.66 -1.43 -0.23 0.00 -1.36 0.00 0.00 55.97 53.61 2jtn s LYS 89 Cb -0.00 0.09 -0.09 0.00 -1.68 0.00 0.00 37.83 36.15 2jtn s LYS 89 CO 0.11 -0.20 1.07 0.00 -0.76 0.00 0.00 175.35 175.57 2jtn h SER 91 N 2.22 0.00 0.00 0.00 0.02 -1.99 -1.23 113.55 112.57 2jtn h SER 91 Ca -0.49 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 2jtn h SER 91 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2jtn h SER 91 CO 0.61 0.08 -0.69 -0.67 -1.14 0.00 0.00 176.83 175.02 2jtn n ASP 92 N -4.07 1.31 -0.17 3.07 -0.08 -1.26 -4.74 116.55 110.61 2jtn n ASP 92 Ca -0.03 0.20 -0.06 0.00 -1.51 0.00 0.00 54.79 53.39 2jtn n ASP 92 Cb 0.17 -0.47 0.03 0.00 2.34 0.00 0.00 41.12 43.19 2jtn n ASP 92 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jtn n HIS 94 N -4.77 -0.31 -2.70 0.00 -0.00 -0.46 -4.87 115.22 102.11 2jtn n HIS 94 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.46 2jtn n HIS 94 Cb 0.05 -3.50 -0.01 0.00 -0.00 0.00 0.00 29.99 26.53 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 -2.82 4.85 -0.01 3.57 -7.23 -1.26 -4.68 120.40 112.82 2jtn s VAL 95 Ca 0.00 0.40 -0.31 0.00 -1.81 0.00 0.00 61.98 60.27 2jtn s VAL 95 Cb 0.00 -3.81 -0.09 0.00 0.56 0.00 0.00 36.38 33.04 2jtn s VAL 95 CO 0.00 -0.72 1.99 -2.65 -0.31 0.00 0.00 175.10 173.41 2jtn n PRO 96 N -1.87 2.67 -1.37 4.82 -0.02 -1.26 -3.99 135.00 133.98 2jtn n PRO 96 Ca 0.02 0.96 -0.21 0.00 -2.02 0.00 0.00 63.50 62.25 2jtn n PRO 96 Cb 0.55 -2.98 0.11 0.00 -0.02 0.00 0.00 33.50 31.16 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 7.84 5.67 0.22 2.45 4.32 -1.08 -4.65 117.00 131.77 2jtn n LEU 97 Ca 0.22 -4.21 0.15 0.00 -0.02 0.00 0.00 56.01 52.15 2jtn n LEU 97 Cb 0.39 -0.67 0.63 0.00 -1.62 0.00 0.00 43.42 42.16 2jtn n LEU 97 CO 0.69 1.56 0.95 0.00 -1.22 0.00 0.00 177.39 179.37 2jtn h ALA 98 N 1.65 1.00 0.00 -1.18 0.00 -1.84 -3.27 119.26 115.62 2jtn h ALA 98 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 2jtn h ALA 98 Cb 1.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2jtn h ALA 98 CO 0.92 0.00 -0.98 0.39 0.00 0.00 0.00 179.25 179.58 2jtn n GLU 99 N -2.74 0.51 -4.02 0.00 1.02 -1.26 -4.90 120.64 109.25 2jtn n GLU 99 Ca 0.01 0.51 -0.08 0.00 -0.02 0.00 0.00 57.16 57.58 2jtn n GLU 99 Cb 0.26 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 29.91 2jtn n GLU 99 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jtn s ARG 100 N -2.35 0.75 -0.25 3.49 3.00 -1.23 -4.58 118.95 117.78 2jtn s ARG 100 Ca -0.23 -1.16 -0.13 0.00 0.00 0.00 0.00 55.73 54.21 2jtn s ARG 100 Cb 0.05 0.26 0.08 0.00 0.00 0.00 0.00 34.95 35.34 2jtn s ARG 100 CO 0.40 -0.20 0.59 0.00 0.00 0.00 0.00 175.30 176.09 2jtn s PHE 102 N 1.81 3.08 0.05 0.00 2.19 -0.22 -4.36 117.98 120.53 2jtn s PHE 102 Ca -0.09 -0.13 -0.01 0.00 0.33 0.00 0.00 56.93 57.03 2jtn s PHE 102 Cb -0.07 -1.45 -0.04 0.00 -1.31 0.00 0.00 43.02 40.15 2jtn s PHE 102 CO -0.17 0.48 -0.03 -1.54 1.83 0.00 0.00 175.22 175.78 2jtn s SER 103 N -3.86 0.47 0.23 6.13 1.04 -1.25 -2.05 113.70 114.41 2jtn s SER 103 Ca 0.34 -0.88 -0.00 0.00 0.48 0.00 0.00 55.95 55.88 2jtn s SER 103 Cb -0.08 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 2jtn s SER 103 CO 0.25 -0.52 0.20 -0.13 0.98 0.00 0.00 173.24 174.02 2jtn s ARG 104 N -3.33 1.36 0.53 4.02 1.81 -0.27 -4.82 118.95 118.25 2jtn s ARG 104 Ca 0.02 -1.68 0.24 0.00 -1.72 0.00 0.00 55.73 52.59 2jtn s ARG 104 Cb 0.04 0.30 1.45 0.00 -0.45 0.00 0.00 34.95 36.29 2jtn s ARG 104 CO -0.08 -0.48 2.12 0.78 -0.68 0.00 0.00 175.30 176.97 2jtn h GLY 105 N 2.48 0.00 0.00 -3.53 0.00 -2.04 -3.32 103.07 96.65 2jtn h GLY 105 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2jtn h GLY 105 CO 0.48 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.81 2jtn n GLU 106 N -3.97 0.00 -2.78 4.80 4.07 -1.26 -5.08 120.64 116.41 2jtn n GLU 106 Ca -0.02 0.22 -0.08 0.00 -0.06 0.00 0.00 57.16 57.22 2jtn n GLU 106 Cb 0.17 -0.69 -0.03 0.00 -0.06 0.00 0.00 31.44 30.83 2jtn n GLU 106 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2jtn n SER 107 N -2.11 0.43 -4.64 4.31 7.64 -1.25 -5.14 113.62 112.86 2jtn n SER 107 Ca 0.00 -1.73 -0.37 0.00 1.01 0.00 0.00 58.87 57.78 2jtn n SER 107 Cb 0.00 0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 2jtn n SER 107 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jtn s VAL 108 N -2.24 5.33 0.28 0.44 0.11 -1.26 -1.11 120.40 121.94 2jtn s VAL 108 Ca 0.10 0.22 0.10 0.00 -2.93 0.00 0.00 61.98 59.48 2jtn s VAL 108 Cb 0.00 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.27 2jtn s VAL 108 CO 0.07 0.30 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.68 2jtn s TYR 109 N 1.32 2.20 0.72 1.54 2.02 -0.87 -3.90 117.35 120.38 2jtn s TYR 109 Ca 0.08 -0.44 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 2jtn s TYR 109 Cb -0.14 -1.06 0.05 0.00 -0.40 0.00 0.00 41.96 40.41 2jtn s TYR 109 CO 0.07 0.60 1.07 0.00 -1.57 0.00 0.00 175.55 175.71 2jtn h LYS 111 N -0.70 0.71 0.00 0.00 3.64 -1.91 -0.44 116.57 117.88 2jtn h LYS 111 Ca -0.45 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 2jtn h LYS 111 Cb 1.30 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2jtn h LYS 111 CO 0.63 0.47 -0.29 0.22 -2.27 0.00 0.00 179.45 178.21 2jtn h ASP 112 N 0.73 0.00 1.76 4.20 1.82 -2.00 -3.10 116.42 119.83 2jtn h ASP 112 Ca 0.29 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.91 2jtn h ASP 112 Cb 0.22 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 2jtn h ASP 112 CO -0.09 0.29 -0.10 0.44 -1.61 0.00 0.00 179.24 178.17 2jtn h ASP 113 N 0.00 0.00 -0.27 2.28 3.32 -1.45 -3.28 116.42 117.02 2jtn h ASP 113 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2jtn h ASP 113 Cb 1.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2jtn h ASP 113 CO 0.04 0.10 -0.08 0.15 -1.72 0.00 0.00 179.24 177.73 2jtn h PHE 114 N 0.00 0.60 -0.72 4.55 3.04 -1.35 0.46 116.94 123.51 2jtn h PHE 114 Ca -0.00 -0.13 0.01 0.00 3.98 0.00 0.00 57.97 61.83 2jtn h PHE 114 Cb 1.01 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.33 2jtn h PHE 114 CO 0.00 0.75 0.47 0.74 -2.02 0.00 0.00 178.31 178.25 2jtn h PHE 115 N 0.27 0.89 0.00 0.41 0.04 -1.68 0.63 116.94 117.51 2jtn h PHE 115 Ca 0.07 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.69 2jtn h PHE 115 Cb 0.56 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2jtn h PHE 115 CO 0.05 0.55 -0.79 -0.22 -0.60 0.00 0.00 178.31 177.30 2jtn h LYS 116 N 0.95 0.00 0.05 1.51 3.64 -1.61 -0.69 116.57 120.42 2jtn h LYS 116 Ca 0.27 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2jtn h LYS 116 Cb -0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2jtn h LYS 116 CO -0.07 0.79 -0.02 0.00 -2.27 0.00 0.00 179.45 177.87 2jtn h ARG 117 N 0.00 -0.06 0.00 1.90 2.47 0.41 -3.43 114.38 115.66 2jtn h ARG 117 Ca -0.01 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 2jtn h ARG 117 Cb 1.59 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.90 2jtn h ARG 117 CO 0.10 0.41 -1.69 1.19 0.56 0.00 0.00 179.97 180.55 2jtn n PHE 118 N -4.76 0.00 -0.55 3.04 3.01 0.20 -5.04 117.46 113.36 2jtn n PHE 118 Ca -0.06 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.10 2jtn n PHE 118 Cb 0.25 -0.46 0.23 0.00 -0.01 0.00 0.00 39.48 39.49 2jtn n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jtn n GLY 119 N 2.71 -2.16 3.74 1.37 0.00 -0.04 -4.94 105.19 105.88 2jtn n GLY 119 Ca -0.22 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 2jtn n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtn s THR 120 N -2.35 2.66 0.11 2.61 2.01 -1.22 -4.46 115.64 115.00 2jtn s THR 120 Ca 0.64 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.92 2jtn s THR 120 Cb -0.21 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 2jtn s THR 120 CO 0.66 -0.16 0.17 -0.75 -0.69 0.00 0.00 174.62 173.84 2jtn s LYS 121 N -3.80 0.91 -0.01 4.92 2.20 -1.26 -4.25 119.74 118.44 2jtn s LYS 121 Ca 0.73 -1.12 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 2jtn s LYS 121 Cb -0.27 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 2jtn s LYS 121 CO 0.41 -0.29 1.07 0.00 -0.36 0.00 0.00 175.35 176.18 2jtn n ALA 123 N 4.25 5.41 0.00 0.00 0.00 -1.23 -2.76 120.51 126.18 2jtn n ALA 123 Ca 0.08 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.82 2jtn n ALA 123 Cb 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.99 2.91 0.17 0.00 0.00 -1.26 -4.86 120.51 116.48 2jtn n ALA 124 Ca 0.55 0.00 0.02 0.00 0.00 0.00 0.00 53.44 54.01 2jtn n ALA 124 Cb 1.52 0.37 0.01 0.00 0.00 0.00 0.00 19.45 21.36 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 0.11 -1.15 -3.80 0.00 3.00 -1.11 -5.06 117.38 109.37 2jtn n GLN 126 Ca 0.02 1.37 -0.12 0.00 -0.01 0.00 0.00 57.00 58.26 2jtn n GLN 126 Cb 0.10 -5.21 -0.11 0.00 0.00 0.00 0.00 30.24 25.02 2jtn n GLN 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2jtn s LEU 127 N -3.74 1.12 -0.58 1.08 1.02 -1.24 -4.96 118.68 111.37 2jtn s LEU 127 Ca 0.00 0.32 -0.28 0.00 0.02 0.00 0.00 54.13 54.20 2jtn s LEU 127 Cb -0.00 0.87 0.01 0.00 0.02 0.00 0.00 46.19 47.09 2jtn s LEU 127 CO 0.65 -0.18 1.42 -0.83 0.02 0.00 0.00 176.35 177.43 2jtn s GLY 128 N -0.32 0.86 0.26 -3.19 0.00 -1.26 -0.90 107.32 102.77 2jtn s GLY 128 Ca -0.04 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 2jtn s GLY 128 CO 0.01 2.81 1.18 -0.42 0.00 0.00 0.00 173.10 176.69 2jtn s ILE 129 N 6.16 3.33 0.98 0.90 1.09 -1.26 -4.98 121.20 127.43 2jtn s ILE 129 Ca 0.51 1.26 -0.23 0.00 -1.10 0.00 0.00 60.65 61.09 2jtn s ILE 129 Cb -0.11 -3.80 -0.10 0.00 -1.06 0.00 0.00 42.46 37.40 2jtn s ILE 129 CO 0.24 0.27 -0.99 -2.65 -0.10 0.00 0.00 174.94 171.71 2jtn n PRO 130 N 1.58 -0.47 0.11 2.79 -0.02 -1.26 -4.91 135.00 132.82 2jtn n PRO 130 Ca 0.01 -0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.24 2jtn n PRO 130 Cb 0.44 -1.17 -0.07 0.00 -0.02 0.00 0.00 33.50 32.67 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 -1.42 -0.33 0.00 0.52 0.11 -1.98 -3.39 132.00 125.50 2jtn h PRO 131 Ca -0.38 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 2jtn h PRO 131 Cb 1.22 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2jtn h PRO 131 CO 0.22 0.03 -0.22 2.41 -0.21 0.00 0.00 178.00 180.23 2jtn n THR 132 N -5.03 1.36 -1.94 -1.15 -1.04 -1.26 0.84 114.28 106.06 2jtn n THR 132 Ca -0.08 -1.74 -0.41 0.00 -2.04 0.00 0.00 64.05 59.78 2jtn n THR 132 Cb 0.26 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.76 2jtn n THR 132 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtn s GLN 133 N -2.06 4.22 -0.43 -2.82 1.03 -1.26 -4.68 119.66 113.66 2jtn s GLN 133 Ca 0.25 2.41 -0.28 0.00 0.04 0.00 0.00 55.36 57.77 2jtn s GLN 133 Cb 0.22 -3.03 0.00 0.00 0.03 0.00 0.00 33.01 30.24 2jtn s GLN 133 CO 0.00 -0.40 1.52 0.08 -2.54 0.00 0.00 175.29 173.95 2jtn s VAL 134 N -0.93 3.77 0.09 3.63 1.01 -1.26 -3.88 120.40 122.83 2jtn s VAL 134 Ca 0.53 0.75 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 2jtn s VAL 134 Cb -0.44 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 2jtn s VAL 134 CO 0.56 -0.76 0.17 0.54 0.00 0.00 0.00 175.10 175.62 2jtn s VAL 135 N 6.02 0.15 -0.11 2.92 0.11 -1.26 -4.79 120.40 123.44 2jtn s VAL 135 Ca 0.64 -1.28 -0.12 0.00 -2.93 0.00 0.00 61.98 58.29 2jtn s VAL 135 Cb -0.15 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.25 2jtn s VAL 135 CO 0.31 -0.66 0.29 0.00 -3.33 0.00 0.00 175.10 171.71 2jtn s ARG 136 N -3.88 3.99 -0.12 1.54 3.03 -1.26 0.16 118.95 122.41 2jtn s ARG 136 Ca 0.06 0.12 0.00 0.00 2.03 0.00 0.00 55.73 57.95 2jtn s ARG 136 Cb 0.05 -3.32 -0.02 0.00 -1.03 0.00 0.00 34.95 30.64 2jtn s ARG 136 CO -0.10 0.48 -0.13 -0.98 -1.13 0.00 0.00 175.30 173.44 2jtn s ARG 137 N -0.27 3.33 -0.68 3.89 1.04 -1.26 -3.03 118.95 121.98 2jtn s ARG 137 Ca 0.18 -0.69 -0.26 0.00 -1.04 0.00 0.00 55.73 53.92 2jtn s ARG 137 Cb -0.14 -2.61 -0.05 0.00 -2.04 0.00 0.00 34.95 30.11 2jtn s ARG 137 CO 0.06 0.24 2.06 0.00 -0.04 0.00 0.00 175.30 177.63 2jtn s ALA 138 N 0.28 1.75 0.00 7.88 0.00 0.28 -4.71 121.76 127.25 2jtn s ALA 138 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2jtn s ALA 138 Cb -0.16 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.56 2jtn s ALA 138 CO 0.05 -4.49 0.00 1.04 0.00 0.00 0.00 175.76 172.37 2jtn n GLN 139 N 9.03 0.00 -0.03 0.00 3.00 -1.26 -0.20 117.38 127.92 2jtn n GLN 139 Ca 0.32 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.09 2jtn n GLN 139 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.61 2jtn n GLN 139 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2jtn h ASP 140 N 0.00 0.28 -3.26 1.08 2.03 -2.05 -3.48 116.42 111.03 2jtn h ASP 140 Ca 0.00 -0.79 -0.47 0.00 -0.73 0.00 0.00 57.03 55.04 2jtn h ASP 140 Cb 0.00 -0.09 0.04 0.00 -0.83 0.00 0.00 39.33 38.45 2jtn h ASP 140 CO 0.00 1.70 0.05 -0.36 -1.03 0.00 0.00 179.24 179.60 2jtn s PHE 141 N -2.48 3.27 0.10 4.15 0.08 0.71 -5.11 117.98 118.71 2jtn s PHE 141 Ca -0.24 0.49 0.07 0.00 0.12 0.00 0.00 56.93 57.37 2jtn s PHE 141 Cb 0.06 -2.51 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 2jtn s PHE 141 CO 0.71 -0.57 -0.13 0.54 -0.10 0.00 0.00 175.22 175.68 2jtn s VAL 142 N -2.78 3.18 0.35 -0.44 0.11 -1.26 0.10 120.40 119.66 2jtn s VAL 142 Ca 0.51 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2jtn s VAL 142 Cb -0.10 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 2jtn s VAL 142 CO 0.42 0.14 0.13 -0.31 -3.33 0.00 0.00 175.10 172.15 2jtn s TYR 143 N -1.16 1.73 -0.01 1.54 1.51 -1.17 -3.49 117.35 116.30 2jtn s TYR 143 Ca 0.20 -1.26 -0.06 0.00 -1.01 0.00 0.00 57.07 54.93 2jtn s TYR 143 Cb -0.11 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.65 2jtn s TYR 143 CO 0.12 -0.35 0.24 -1.01 -1.11 0.00 0.00 175.55 173.44 2jtn s HIS 144 N -3.41 3.58 0.19 2.71 3.76 -1.26 -4.51 115.29 116.35 2jtn s HIS 144 Ca 0.31 0.53 0.34 0.00 -0.15 0.00 0.00 55.06 56.10 2jtn s HIS 144 Cb 0.05 -1.96 1.73 0.00 1.11 0.00 0.00 32.58 33.51 2jtn s HIS 144 CO 0.16 0.64 2.03 -0.07 -0.85 0.00 0.00 174.74 176.65 2jtn h LEU 145 N 4.09 0.00 0.02 0.89 4.07 -1.90 1.01 115.31 123.50 2jtn h LEU 145 Ca -0.50 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.17 2jtn h LEU 145 Cb 1.20 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 2jtn h LEU 145 CO 0.66 0.00 -1.56 1.41 -1.08 0.00 0.00 178.44 177.86 2jtn n HIS 146 N -2.75 0.93 0.04 1.13 8.25 -1.26 -4.52 115.22 117.04 2jtn n HIS 146 Ca -0.01 0.35 -0.10 0.00 -0.26 0.00 0.00 57.72 57.70 2jtn n HIS 146 Cb 0.12 -1.10 -0.13 0.00 1.12 0.00 0.00 29.99 30.00 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 -3.28 1.84 -3.59 0.00 7.35 0.35 -4.87 117.46 115.27 2jtn n PHE 148 Ca -0.10 0.01 -0.06 0.00 -0.76 0.00 0.00 57.45 56.54 2jtn n PHE 148 Cb 1.00 -2.66 0.02 0.00 0.35 0.00 0.00 39.48 38.19 2jtn n PHE 148 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jtn n ALA 149 N 11.03 -1.34 -1.90 3.13 0.00 -1.26 -3.95 120.51 126.21 2jtn n ALA 149 Ca 0.34 -0.87 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 2jtn n ALA 149 Cb 0.37 0.67 -0.07 0.00 0.00 0.00 0.00 19.45 20.42 2jtn n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtn h VAL 151 N 1.92 1.10 0.00 0.00 -1.51 0.29 -0.19 116.25 117.86 2jtn h VAL 151 Ca -0.49 -0.78 -0.18 0.00 -1.23 0.00 0.00 66.70 64.03 2jtn h VAL 151 Cb 1.18 1.43 -0.03 0.00 -2.13 0.00 0.00 31.29 31.74 2jtn h VAL 151 CO 0.62 0.22 -1.51 0.52 -1.23 0.00 0.00 177.57 176.19 2jtn n VAL 152 N -4.19 0.80 0.22 7.19 0.31 -1.26 -4.64 118.33 116.76 2jtn n VAL 152 Ca -0.02 -0.10 0.07 0.00 -0.01 0.00 0.00 64.34 64.27 2jtn n VAL 152 Cb 0.28 -1.71 0.51 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.33 -4.67 0.00 4.76 -0.08 -4.82 118.16 107.03 2jtn n LYS 154 Ca -0.02 0.67 -0.34 0.00 -2.87 0.00 0.00 58.31 55.75 2jtn n LYS 154 Cb 0.32 -5.29 -0.12 0.00 -1.84 0.00 0.00 35.03 28.10 2jtn n LYS 154 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2jtn s ARG 155 N -5.13 2.70 0.79 1.97 3.52 -1.26 -4.63 118.95 116.91 2jtn s ARG 155 Ca 0.04 -0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 54.93 2jtn s ARG 155 Cb -0.02 -2.55 0.07 0.00 -1.56 0.00 0.00 34.95 30.89 2jtn s ARG 155 CO 0.05 0.66 1.19 -0.65 -0.81 0.00 0.00 175.30 175.74 2jtn s GLN 156 N -0.80 1.76 0.39 5.12 1.11 -1.25 -2.51 119.66 123.47 2jtn s GLN 156 Ca 0.12 1.69 0.08 0.00 0.01 0.00 0.00 55.36 57.26 2jtn s GLN 156 Cb -0.11 -1.80 -0.07 0.00 -1.01 0.00 0.00 33.01 30.03 2jtn s GLN 156 CO 0.01 -2.10 0.03 -0.51 0.01 0.00 0.00 175.29 172.73 2jtn s LEU 157 N -5.65 2.93 0.21 2.90 2.01 -1.26 -4.94 118.68 114.87 2jtn s LEU 157 Ca 0.72 -1.20 -0.07 0.00 0.01 0.00 0.00 54.13 53.58 2jtn s LEU 157 Cb -0.27 -1.12 -0.02 0.00 0.01 0.00 0.00 46.19 44.78 2jtn s LEU 157 CO 0.50 -0.39 0.29 0.00 1.01 0.00 0.00 176.35 177.77 2jtn s ALA 158 N -2.63 0.38 -0.04 4.21 0.00 -1.26 -5.07 121.76 117.35 2jtn s ALA 158 Ca 0.36 -1.21 -0.38 0.00 0.00 0.00 0.00 51.96 50.73 2jtn s ALA 158 Cb 0.05 1.14 -0.16 0.00 0.00 0.00 0.00 23.12 24.15 2jtn s ALA 158 CO 0.19 -0.70 1.47 -2.37 0.00 0.00 0.00 175.76 174.35 2jtn n THR 159 N -0.29 0.10 0.00 0.00 5.66 -1.25 -0.83 114.28 117.67 2jtn n THR 159 Ca -0.02 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2jtn n THR 159 Cb 0.64 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 2jtn n THR 159 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jtn n GLY 160 N 3.06 2.90 3.71 1.09 0.00 0.15 -4.92 105.19 111.17 2jtn n GLY 160 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.21 6.70 -0.28 1.61 -1.08 -0.01 -4.71 116.67 118.69 2jtn s ASP 161 Ca 0.00 2.45 -0.19 0.00 -0.52 0.00 0.00 52.55 54.29 2jtn s ASP 161 Cb 0.00 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.86 2jtn s ASP 161 CO 0.00 -0.76 0.57 -1.61 0.52 0.00 0.00 175.17 173.88 2jtn s GLU 162 N 1.47 4.01 0.13 4.34 2.02 -1.26 0.12 118.70 129.53 2jtn s GLU 162 Ca 0.68 0.33 -0.00 0.00 0.02 0.00 0.00 54.97 56.00 2jtn s GLU 162 Cb -0.40 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 2jtn s GLU 162 CO 0.31 -0.43 0.03 -0.59 0.02 0.00 0.00 175.26 174.60 2jtn s PHE 163 N 2.43 0.92 0.21 1.61 -0.71 -1.05 -4.56 117.98 116.84 2jtn s PHE 163 Ca 0.23 -1.17 0.09 0.00 -1.04 0.00 0.00 56.93 55.04 2jtn s PHE 163 Cb -0.15 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.09 2jtn s PHE 163 CO 0.10 -0.43 -0.02 0.71 -1.34 0.00 0.00 175.22 174.23 2jtn s TYR 164 N -3.94 2.73 -0.26 3.49 2.02 0.30 -3.08 117.35 118.61 2jtn s TYR 164 Ca 0.22 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.72 2jtn s TYR 164 Cb 0.07 -1.28 0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2jtn s TYR 164 CO 0.01 0.56 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.32 2jtn s LEU 165 N -3.22 3.34 1.35 -1.29 2.96 -1.26 -2.04 118.68 118.51 2jtn s LEU 165 Ca 0.28 -1.05 -0.20 0.00 -0.22 0.00 0.00 54.13 52.94 2jtn s LEU 165 Cb -0.08 -1.64 0.33 0.00 0.50 0.00 0.00 46.19 45.30 2jtn s LEU 165 CO 0.18 -0.16 0.79 0.23 -1.32 0.00 0.00 176.35 176.07 2jtn n MET 166 N 4.61 -3.97 -0.03 1.98 2.81 -0.51 -4.90 117.12 117.11 2jtn n MET 166 Ca -0.16 -1.17 -0.09 0.00 -1.81 0.00 0.00 57.70 54.47 2jtn n MET 166 Cb 0.45 -1.90 -0.03 0.00 -0.71 0.00 0.00 33.22 31.04 2jtn n MET 166 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jtn h GLU 167 N -3.29 0.12 0.00 0.03 3.07 -2.00 -3.36 114.58 109.15 2jtn h GLU 167 Ca -0.43 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2jtn h GLU 167 Cb 1.26 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2jtn h GLU 167 CO 0.29 0.08 0.00 -0.25 -1.40 0.00 0.00 179.01 177.72 2jtn n ASP 168 N -5.07 0.00 -1.42 1.42 8.00 -1.26 -4.96 116.55 113.26 2jtn n ASP 168 Ca -0.03 0.20 -0.00 0.00 0.71 0.00 0.00 54.79 55.66 2jtn n ASP 168 Cb 0.08 -0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.13 2jtn n ASP 168 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2jtn n SER 169 N -0.67 -0.19 -4.86 -2.24 3.41 -1.26 -5.13 113.62 102.68 2jtn n SER 169 Ca 0.00 -0.97 -0.35 0.00 -0.26 0.00 0.00 58.87 57.29 2jtn n SER 169 Cb 0.00 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 2jtn n SER 169 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jtn s ARG 170 N 0.01 3.81 -0.25 4.33 0.52 -1.26 -4.88 118.95 121.23 2jtn s ARG 170 Ca 0.01 0.25 -0.16 0.00 -0.52 0.00 0.00 55.73 55.31 2jtn s ARG 170 Cb 0.05 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 2jtn s ARG 170 CO -0.01 0.55 0.41 -0.51 0.02 0.00 0.00 175.30 175.76 2jtn s LEU 171 N -1.90 4.06 -0.02 2.53 1.02 -1.26 -1.42 118.68 121.69 2jtn s LEU 171 Ca 0.34 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.88 2jtn s LEU 171 Cb -0.14 -2.50 0.03 0.00 0.02 0.00 0.00 46.19 43.59 2jtn s LEU 171 CO 0.18 -0.19 0.02 0.54 0.02 0.00 0.00 176.35 176.92 2jtn s VAL 172 N 2.00 -0.03 0.21 -1.59 0.11 -0.87 0.10 120.40 120.33 2jtn s VAL 172 Ca 0.17 0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 59.39 2jtn s VAL 172 Cb -0.16 -0.10 0.05 0.00 -1.53 0.00 0.00 36.38 34.64 2jtn s VAL 172 CO 0.09 0.09 0.29 0.00 -3.33 0.00 0.00 175.10 172.24 2jtn h LYS 174 N 0.00 -0.83 -0.53 0.00 6.56 -1.96 0.75 116.57 120.55 2jtn h LYS 174 Ca -0.09 0.06 0.15 0.00 -1.06 0.00 0.00 60.65 59.71 2jtn h LYS 174 Cb 0.30 0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 2jtn h LYS 174 CO 0.08 -0.51 0.40 0.00 -2.06 0.00 0.00 179.45 177.36 2jtn h ALA 175 N -0.83 2.46 0.00 3.86 0.00 -1.98 0.12 119.26 122.90 2jtn h ALA 175 Ca -0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2jtn h ALA 175 Cb 0.70 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2jtn h ALA 175 CO 0.14 -0.67 -1.24 -0.25 0.00 0.00 0.00 179.25 177.23 2jtn n ASP 176 N -4.29 0.86 0.14 0.00 8.00 -1.10 -3.64 116.55 116.53 2jtn n ASP 176 Ca 0.10 0.36 -0.07 0.00 0.71 0.00 0.00 54.79 55.89 2jtn n ASP 176 Cb 0.62 0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.95 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 -0.51 1.24 3.20 0.33 0.83 116.97 121.52 2jtn h TYR 177 Ca -0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2jtn h TYR 177 Cb 1.35 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.80 2jtn h TYR 177 CO 0.00 -0.27 0.33 0.93 -1.64 0.00 0.00 178.16 177.50 2jtn h GLU 178 N -0.43 0.67 -0.14 1.82 4.39 -1.56 0.04 114.58 119.38 2jtn h GLU 178 Ca -0.03 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2jtn h GLU 178 Cb 0.36 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jtn h GLU 178 CO 0.00 0.46 0.03 1.15 -1.16 0.00 0.00 179.01 179.49 2jtn h THR 179 N 0.68 1.08 0.03 1.13 2.02 -1.61 -2.95 112.91 113.29 2jtn h THR 179 Ca 0.18 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2jtn h THR 179 Cb -0.06 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2jtn h THR 179 CO -0.04 0.10 -0.01 0.00 0.37 0.00 0.00 175.52 175.93 2jtn h ALA 180 N 1.84 -0.04 0.00 6.16 0.00 0.15 -3.49 119.26 123.88 2jtn h ALA 180 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jtn h ALA 180 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jtn h ALA 180 CO -0.00 -0.12 0.00 1.17 0.00 0.00 0.00 179.25 180.30 2jtn n LYS 181 N -4.74 0.00 0.00 0.00 0.00 -0.07 -5.08 118.16 108.27 2jtn n LYS 181 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.35 2jtn n LYS 181 Cb 0.35 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.55 2jtn n LYS 181 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34