#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 -5.93 -2.29 -3.46 7.64 -1.26 -4.29 113.62 104.03 2jtn n SER 2 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2jtn n SER 2 Cb 0.00 -4.88 0.00 0.00 -1.01 0.00 0.00 64.21 58.32 2jtn n SER 2 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jtn n GLN 3 N -3.27 -5.16 -3.75 1.43 7.27 -1.26 -4.98 117.38 107.66 2jtn n GLN 3 Ca -0.21 3.74 -0.28 0.00 0.07 0.00 0.00 57.00 60.32 2jtn n GLN 3 Cb 0.67 -4.60 -0.12 0.00 2.41 0.00 0.00 30.24 28.60 2jtn n GLN 3 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2jtn s VAL 4 N -0.58 1.97 0.09 1.69 -7.23 -1.26 -4.95 120.40 110.13 2jtn s VAL 4 Ca 0.00 -3.48 -0.15 0.00 -1.81 0.00 0.00 61.98 56.53 2jtn s VAL 4 Cb 0.00 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.52 2jtn s VAL 4 CO 0.00 -1.02 1.39 1.55 -0.31 0.00 0.00 175.10 176.71 2jtn h PRO 5 N 5.79 0.68 -2.40 4.82 0.13 -1.97 -3.41 132.00 135.65 2jtn h PRO 5 Ca 0.13 -0.38 -0.54 0.00 -0.87 0.00 0.00 66.00 64.34 2jtn h PRO 5 Cb 0.84 0.03 -0.37 0.00 0.13 0.00 0.00 31.00 31.62 2jtn h PRO 5 CO 0.59 1.00 -0.84 -0.51 -0.23 0.00 0.00 178.00 178.00 2jtn s ASP 6 N -6.57 2.25 0.24 1.44 1.11 -1.26 -5.13 116.67 108.75 2jtn s ASP 6 Ca -0.12 -2.25 0.11 0.00 0.18 0.00 0.00 52.55 50.46 2jtn s ASP 6 Cb 0.08 -0.19 -0.05 0.00 1.07 0.00 0.00 42.92 43.83 2jtn s ASP 6 CO 0.83 -0.27 -0.19 0.54 1.18 0.00 0.00 175.17 177.26 2jtn s VAL 7 N 0.92 2.25 0.26 -1.27 0.11 -1.26 -4.79 120.40 116.62 2jtn s VAL 7 Ca 0.21 -2.26 0.01 0.00 -2.93 0.00 0.00 61.98 57.01 2jtn s VAL 7 Cb -0.16 -2.18 -0.00 0.00 -1.53 0.00 0.00 36.38 32.51 2jtn s VAL 7 CO -0.04 -0.38 0.32 0.23 -3.33 0.00 0.00 175.10 171.89 2jtn n MET 8 N -0.34 0.46 -3.68 1.54 0.00 -1.21 -5.07 117.12 108.81 2jtn n MET 8 Ca -0.08 -2.18 -0.11 0.00 0.00 0.00 0.00 57.70 55.33 2jtn n MET 8 Cb 0.59 2.00 -0.09 0.00 0.00 0.00 0.00 33.22 35.72 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 -2.80 -0.01 0.54 2.03 0.11 -1.26 -2.41 120.40 116.61 2jtn s VAL 9 Ca 0.24 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.10 2jtn s VAL 9 Cb -0.00 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 2jtn s VAL 9 CO 0.17 0.01 1.33 0.52 -3.33 0.00 0.00 175.10 173.80 2jtn n VAL 10 N 3.52 3.74 -3.91 2.04 0.31 0.19 -4.78 118.33 119.45 2jtn n VAL 10 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 2jtn n VAL 10 Cb 0.56 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 0.79 4.25 3.70 2.92 0.00 -1.26 0.10 105.19 115.69 2jtn n GLY 11 Ca 0.10 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.88 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 2.24 -1.98 1.61 -0.58 -1.26 -4.15 120.64 116.52 2jtn n GLU 12 Ca 0.00 0.80 -0.41 0.00 -0.42 0.00 0.00 57.16 57.12 2jtn n GLU 12 Cb 0.00 -2.48 -0.02 0.00 -0.57 0.00 0.00 31.44 28.37 2jtn n GLU 12 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2jtn s PRO 13 N -0.62 4.24 -0.13 3.49 0.02 -1.26 -4.85 135.00 135.89 2jtn s PRO 13 Ca 0.65 2.35 -0.29 0.00 0.02 0.00 0.00 61.00 63.73 2jtn s PRO 13 Cb -0.59 -3.09 0.09 0.00 0.02 0.00 0.00 34.50 30.93 2jtn s PRO 13 CO 0.51 -0.44 0.80 -0.08 -0.33 0.00 0.00 177.00 177.46 2jtn s THR 14 N -0.14 0.00 0.45 0.99 -1.32 0.26 -4.46 115.64 111.43 2jtn s THR 14 Ca 0.59 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.12 2jtn s THR 14 Cb -0.43 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 2jtn s THR 14 CO 0.46 0.00 0.08 -0.76 -2.21 0.00 0.00 174.62 172.18 2jtn s LEU 15 N -0.82 2.73 0.34 9.08 1.43 -1.23 -4.18 118.68 126.03 2jtn s LEU 15 Ca -0.06 -1.38 0.02 0.00 -1.03 0.00 0.00 54.13 51.68 2jtn s LEU 15 Cb -0.01 -0.99 0.61 0.00 0.03 0.00 0.00 46.19 45.83 2jtn s LEU 15 CO 0.05 -0.65 1.99 0.00 0.23 0.00 0.00 176.35 177.96 2jtn h MET 16 N 1.47 0.82 -5.48 1.70 -0.00 -1.90 -3.48 114.93 108.05 2jtn h MET 16 Ca -0.43 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.70 59.15 2jtn h MET 16 Cb 1.27 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 2jtn h MET 16 CO 0.74 0.57 -0.35 0.41 -0.00 0.00 0.00 176.91 178.28 2jtn n GLY 17 N -1.35 -1.20 0.62 -3.00 0.00 0.18 -4.97 105.19 95.47 2jtn n GLY 17 Ca 0.06 0.86 -0.04 0.00 0.00 0.00 0.00 46.02 46.91 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 -1.04 -0.25 2.48 -0.02 0.00 -1.09 -4.87 105.19 100.40 2jtn n GLY 18 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 2jtn n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jtn n GLU 19 N -3.79 -3.85 0.00 1.61 1.02 -1.26 -5.01 120.64 109.37 2jtn n GLU 19 Ca -0.06 2.98 0.00 0.00 -0.02 0.00 0.00 57.16 60.07 2jtn n GLU 19 Cb 0.21 -4.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.98 2jtn n GLU 19 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jtn n PHE 20 N 1.30 -1.61 -4.04 -0.32 7.35 -1.26 -5.06 117.46 113.82 2jtn n PHE 20 Ca -0.29 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.27 2jtn n PHE 20 Cb 0.45 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.16 2jtn n PHE 20 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2jtn s GLY 21 N -1.61 0.35 0.01 7.13 0.00 -1.26 -5.05 107.32 106.89 2jtn s GLY 21 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 2jtn s GLY 21 CO 0.00 -0.60 0.87 -1.80 0.00 0.00 0.00 173.10 171.58 2jtn h ASP 22 N 4.94 0.39 -0.26 1.64 1.82 -1.97 -3.30 116.42 119.69 2jtn h ASP 22 Ca -0.32 -0.54 0.00 0.00 -0.39 0.00 0.00 57.03 55.78 2jtn h ASP 22 Cb 1.20 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2jtn h ASP 22 CO 0.43 1.45 0.00 -0.62 -1.61 0.00 0.00 179.24 178.89 2jtn n GLU 23 N -3.46 1.77 0.06 0.28 1.02 -1.26 -3.88 120.64 115.16 2jtn n GLU 23 Ca -0.16 -1.17 -0.09 0.00 -0.02 0.00 0.00 57.16 55.71 2jtn n GLU 23 Cb 1.04 -1.33 -0.13 0.00 -0.02 0.00 0.00 31.44 31.00 2jtn n GLU 23 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2jtn h ASP 24 N 2.12 0.10 -1.92 1.62 3.32 -1.98 -3.46 116.42 116.21 2jtn h ASP 24 Ca 0.00 -0.11 -0.53 0.00 0.02 0.00 0.00 57.03 56.41 2jtn h ASP 24 Cb 0.47 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 2jtn h ASP 24 CO 0.00 1.09 -0.52 -0.70 -1.72 0.00 0.00 179.24 177.39 2jtn s GLU 25 N -2.68 2.51 -0.69 3.56 2.56 -1.25 -5.05 118.70 117.65 2jtn s GLU 25 Ca -0.01 -1.42 -0.27 0.00 0.00 0.00 0.00 54.97 53.27 2jtn s GLU 25 Cb 0.09 -2.29 0.01 0.00 2.00 0.00 0.00 34.13 33.94 2jtn s GLU 25 CO 0.83 0.15 1.51 1.03 -0.56 0.00 0.00 175.26 178.22 2jtn s ARG 26 N -3.88 2.97 0.72 4.30 1.81 -1.26 -4.99 118.95 118.62 2jtn s ARG 26 Ca 0.38 0.09 -0.12 0.00 -1.72 0.00 0.00 55.73 54.36 2jtn s ARG 26 Cb -0.04 -4.27 0.02 0.00 -0.45 0.00 0.00 34.95 30.21 2jtn s ARG 26 CO 0.24 -2.38 1.11 -1.17 -0.68 0.00 0.00 175.30 172.41 2jtn s LEU 27 N 7.06 2.84 0.99 2.53 2.96 -1.26 -4.39 118.68 129.42 2jtn s LEU 27 Ca 0.48 1.11 -0.11 0.00 -0.22 0.00 0.00 54.13 55.38 2jtn s LEU 27 Cb -0.10 -3.86 0.19 0.00 0.50 0.00 0.00 46.19 42.92 2jtn s LEU 27 CO 0.17 -1.43 1.09 0.27 -1.32 0.00 0.00 176.35 175.13 2jtn s ILE 28 N -3.37 2.23 -0.26 6.68 -4.36 -1.26 -4.74 121.20 116.12 2jtn s ILE 28 Ca 0.59 0.07 0.01 0.00 -0.26 0.00 0.00 60.65 61.06 2jtn s ILE 28 Cb -0.11 -2.22 0.07 0.00 1.25 0.00 0.00 42.46 41.45 2jtn s ILE 28 CO 0.52 -0.10 -0.01 -0.89 0.24 0.00 0.00 174.94 174.70 2jtn s THR 29 N -2.65 1.42 -0.66 8.37 2.01 0.17 -4.93 115.64 119.37 2jtn s THR 29 Ca 0.66 -1.33 -0.27 0.00 0.31 0.00 0.00 61.69 61.06 2jtn s THR 29 Cb -0.22 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.49 2jtn s THR 29 CO 0.60 -0.27 1.43 -0.13 -0.69 0.00 0.00 174.62 175.55 2jtn s ARG 30 N 1.41 3.13 0.01 4.92 3.00 -1.26 -2.20 118.95 127.96 2jtn s ARG 30 Ca -0.01 0.15 -0.11 0.00 0.00 0.00 0.00 55.73 55.76 2jtn s ARG 30 Cb -0.18 -4.20 0.01 0.00 0.00 0.00 0.00 34.95 30.58 2jtn s ARG 30 CO -0.10 -2.18 0.22 -0.48 0.00 0.00 0.00 175.30 172.76 2jtn s LEU 31 N 6.43 1.24 0.52 2.53 0.05 -1.16 -5.07 118.68 123.23 2jtn s LEU 31 Ca 0.47 -0.14 -0.12 0.00 0.05 0.00 0.00 54.13 54.38 2jtn s LEU 31 Cb -0.10 0.98 -0.06 0.00 -2.05 0.00 0.00 46.19 44.96 2jtn s LEU 31 CO 0.19 -0.45 0.94 -1.61 -0.55 0.00 0.00 176.35 174.87 2jtn s GLU 32 N -1.68 3.75 0.03 1.48 2.02 -1.26 -2.22 118.70 120.83 2jtn s GLU 32 Ca -0.12 0.71 0.06 0.00 0.02 0.00 0.00 54.97 55.64 2jtn s GLU 32 Cb -0.05 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 2jtn s GLU 32 CO 0.01 -0.32 -0.17 -0.80 0.02 0.00 0.00 175.26 174.00 2jtn s ASN 33 N -3.57 3.86 -0.56 -0.19 -0.87 0.26 -4.84 114.94 109.02 2jtn s ASN 33 Ca 0.55 -0.38 -0.02 0.00 -1.57 0.00 0.00 52.86 51.44 2jtn s ASN 33 Cb -0.10 -0.66 0.38 0.00 -0.02 0.00 0.00 41.25 40.85 2jtn s ASN 33 CO 0.40 0.27 2.03 0.35 -2.57 0.00 0.00 177.10 177.58 2jtn n THR 34 N 1.65 3.38 0.00 1.60 -2.24 -1.26 -4.58 114.28 112.83 2jtn n THR 34 Ca -0.16 -2.55 0.00 0.00 -2.27 0.00 0.00 64.05 59.07 2jtn n THR 34 Cb 0.52 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 2jtn n THR 34 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2jtn n GLN 35 N -0.54 0.00 0.00 -0.78 -0.06 -1.26 -4.90 117.38 109.84 2jtn n GLN 35 Ca 0.53 0.30 0.00 0.00 -2.00 0.00 0.00 57.00 55.83 2jtn n GLN 35 Cb 0.63 -0.80 0.00 0.00 -4.06 0.00 0.00 30.24 26.02 2jtn n GLN 35 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2jtn n PHE 36 N -2.15 0.00 0.00 3.69 3.01 -1.25 -3.68 117.46 117.08 2jtn n PHE 36 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2jtn n PHE 36 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2jtn n PHE 36 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2jtn n ASP 37 N 1.69 0.00 0.00 4.37 9.92 -1.26 -4.60 116.55 126.66 2jtn n ASP 37 Ca 0.00 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 2jtn n ASP 37 Cb 0.00 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 2jtn n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jtn n ALA 38 N -1.23 0.00 -3.15 2.24 0.00 -1.24 -2.93 120.51 114.20 2jtn n ALA 38 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2jtn n ALA 38 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2jtn n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtn s ALA 39 N -0.84 -2.79 -1.63 0.00 0.00 -1.26 -4.94 121.76 110.30 2jtn s ALA 39 Ca 0.00 1.61 -0.02 0.00 0.00 0.00 0.00 51.96 53.55 2jtn s ALA 39 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.77 2jtn s ALA 39 CO 0.00 -1.46 0.29 -1.71 0.00 0.00 0.00 175.76 172.88 2jtn n ASN 40 N 5.43 -5.90 0.25 0.00 4.05 -1.26 -4.86 115.26 112.96 2jtn n ASN 40 Ca -0.02 -0.14 0.09 0.00 0.45 0.00 0.00 54.58 54.95 2jtn n ASN 40 Cb 0.53 -4.82 0.65 0.00 1.23 0.00 0.00 39.78 37.37 2jtn n ASN 40 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2jtn h GLY 41 N -0.66 0.00 -7.12 8.20 0.00 -1.78 -3.38 103.07 98.33 2jtn h GLY 41 Ca -0.50 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.26 2jtn h GLY 41 CO 0.56 0.00 0.86 -0.42 0.00 0.00 0.00 176.54 177.54 2jtn s ILE 42 N -5.05 4.07 -0.87 2.60 -1.09 -1.26 -4.94 121.20 114.66 2jtn s ILE 42 Ca -0.05 0.52 -0.26 0.00 -2.23 0.00 0.00 60.65 58.63 2jtn s ILE 42 Cb 0.17 -4.72 -0.16 0.00 -1.58 0.00 0.00 42.46 36.17 2jtn s ILE 42 CO 0.67 -1.42 2.33 -0.62 -1.23 0.00 0.00 174.94 174.67 2jtn s ASP 43 N 3.18 3.76 0.00 3.58 -1.08 -1.26 -4.28 116.67 120.57 2jtn s ASP 43 Ca 0.36 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.17 2jtn s ASP 43 Cb -0.10 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2jtn s ASP 43 CO 0.20 -4.13 0.00 -0.67 0.52 0.00 0.00 175.17 171.09 2jtn n ASP 44 N 18.97 0.52 -4.65 -0.34 -0.08 -1.26 -5.04 116.55 124.67 2jtn n ASP 44 Ca 0.45 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.31 2jtn n ASP 44 Cb 0.44 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.87 2jtn n ASP 44 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2jtn s GLU 45 N -1.80 4.02 -0.06 -0.67 2.12 -1.26 -4.98 118.70 116.07 2jtn s GLU 45 Ca 0.00 2.20 -0.01 0.00 0.36 0.00 0.00 54.97 57.52 2jtn s GLU 45 Cb 0.00 -4.08 0.03 0.00 0.26 0.00 0.00 34.13 30.34 2jtn s GLU 45 CO 0.00 -1.06 0.01 0.20 -0.54 0.00 0.00 175.26 173.87 2jtn s GLY 46 N 4.21 0.38 0.04 -1.50 0.00 -1.26 -5.04 107.32 104.15 2jtn s GLY 46 Ca 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.51 2jtn s GLY 46 CO 0.33 1.03 0.00 0.61 0.00 0.00 0.00 173.10 175.07 2jtn n GLY 47 N 4.89 -4.20 3.43 0.20 0.00 -1.26 -5.10 105.19 103.15 2jtn n GLY 47 Ca -0.11 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.24 2.32 0.00 1.61 0.15 -1.26 -4.97 113.70 111.32 2jtn s SER 48 Ca 0.00 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 54.97 2jtn s SER 48 Cb 0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2jtn s SER 48 CO 0.00 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.09 2jtn n GLY 49 N -0.79 0.67 1.20 9.45 0.00 -1.26 -5.03 105.19 109.42 2jtn n GLY 49 Ca -0.01 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.29 1.67 1.40 -0.02 0.00 -1.26 -4.91 105.19 101.78 2jtn n GLY 50 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2jtn n GLY 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jtn n HIS 51 N 0.14 -1.75 0.00 1.61 -0.00 -1.26 -5.05 115.22 108.91 2jtn n HIS 51 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2jtn n HIS 51 Cb 1.01 0.35 0.00 0.00 -0.00 0.00 0.00 29.99 31.35 2jtn n HIS 51 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2jtn n MET 52 N -2.31 0.00 0.00 1.57 0.00 -1.26 -5.16 117.12 109.95 2jtn n MET 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2jtn n MET 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2jtn n MET 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jtn n GLY 53 N -0.88 4.62 0.00 -5.12 0.00 -1.26 -4.97 105.19 97.59 2jtn n GLY 53 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2jtn n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jtn n SER 54 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.09 113.62 112.29 2jtn n SER 54 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2jtn n SER 54 Cb 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2jtn n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jtn n GLY 55 N 2.13 4.26 0.00 5.00 0.00 -1.26 -5.17 105.19 110.15 2jtn n GLY 55 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.35 2.65 3.19 -0.02 0.00 -1.26 -5.06 105.19 104.34 2jtn n GLY 56 Ca 0.00 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 2jtn n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jtn s THR 57 N 1.50 4.82 1.02 2.61 -4.23 -1.26 -5.07 115.64 115.02 2jtn s THR 57 Ca 0.00 -3.46 -0.12 0.00 -1.18 0.00 0.00 61.69 56.92 2jtn s THR 57 Cb 0.00 -3.97 0.20 0.00 1.34 0.00 0.00 72.50 70.06 2jtn s THR 57 CO 0.00 -1.07 1.08 -2.16 -0.54 0.00 0.00 174.62 171.93 2jtn s PRO 58 N -0.96 0.28 -1.69 3.99 0.04 -1.26 -3.71 135.00 131.68 2jtn s PRO 58 Ca 0.26 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2jtn s PRO 58 Cb -0.10 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2jtn s PRO 58 CO -0.10 -2.85 0.00 0.39 0.04 0.00 0.00 177.00 174.48 2jtn n GLU 59 N -4.27 -1.75 -3.78 4.56 4.71 -1.26 -4.97 120.64 113.88 2jtn n GLU 59 Ca 0.05 0.96 -0.36 0.00 -0.01 0.00 0.00 57.16 57.80 2jtn n GLU 59 Cb 0.57 -5.59 -0.07 0.00 -1.01 0.00 0.00 31.44 25.34 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 -2.94 5.44 0.08 -3.67 1.10 -1.24 -5.05 121.20 114.92 2jtn s ILE 60 Ca 0.00 0.25 -0.33 0.00 -0.51 0.00 0.00 60.65 60.06 2jtn s ILE 60 Cb 0.00 -3.45 -0.12 0.00 0.15 0.00 0.00 42.46 39.03 2jtn s ILE 60 CO 0.00 0.53 1.73 -0.81 -2.11 0.00 0.00 174.94 174.29 2jtn n PRO 61 N 2.67 2.32 -3.41 3.50 -0.04 -1.26 -4.83 135.00 133.95 2jtn n PRO 61 Ca -0.18 0.84 -0.38 0.00 -0.04 0.00 0.00 63.50 63.75 2jtn n PRO 61 Cb 0.54 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 2jtn n PRO 61 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2jtn s MET 62 N 2.29 4.07 1.04 0.54 -1.94 -1.26 -3.75 119.30 120.28 2jtn s MET 62 Ca 0.84 0.49 -0.12 0.00 -1.71 0.00 0.00 55.69 55.19 2jtn s MET 62 Cb -0.63 -3.27 0.19 0.00 2.01 0.00 0.00 34.83 33.12 2jtn s MET 62 CO 0.42 0.57 0.91 0.00 -0.01 0.00 0.00 175.02 176.91 2jtn s ALA 64 N -2.49 3.44 0.00 0.00 0.00 -1.20 -4.36 121.76 117.16 2jtn s ALA 64 Ca 0.65 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2jtn s ALA 64 Cb -0.23 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2jtn s ALA 64 CO 0.63 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2jtn n GLY 65 N 4.50 2.22 3.86 0.00 0.00 -1.26 -4.09 105.19 110.41 2jtn n GLY 65 Ca 0.03 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.27 6.05 -0.30 0.00 -1.08 -1.26 -4.29 116.67 112.53 2jtn s ASP 67 Ca 0.32 -1.35 -0.22 0.00 -0.52 0.00 0.00 52.55 50.79 2jtn s ASP 67 Cb -0.10 -2.57 0.20 0.00 -1.46 0.00 0.00 42.92 38.99 2jtn s ASP 67 CO 0.26 -1.93 1.38 -1.58 0.52 0.00 0.00 175.17 173.81 2jtn s GLN 68 N 5.58 0.06 0.65 4.34 0.74 -1.26 -5.02 119.66 124.76 2jtn s GLN 68 Ca 0.55 0.08 -0.13 0.00 0.05 0.00 0.00 55.36 55.91 2jtn s GLN 68 Cb -0.02 0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.11 2jtn s GLN 68 CO -0.04 -0.01 1.07 -3.38 -0.55 0.00 0.00 175.29 172.38 2jtn s HIS 69 N 0.37 2.96 0.30 1.67 0.00 -1.25 0.88 115.29 120.22 2jtn s HIS 69 Ca 0.02 1.49 -0.11 0.00 -3.00 0.00 0.00 55.06 53.46 2jtn s HIS 69 Cb -0.04 -2.98 -0.07 0.00 -4.00 0.00 0.00 32.58 25.49 2jtn s HIS 69 CO -0.14 -1.27 0.64 0.42 -1.00 0.00 0.00 174.74 173.39 2jtn s ILE 70 N -2.70 4.85 -0.04 -5.38 -1.09 -1.25 -4.69 121.20 110.90 2jtn s ILE 70 Ca 0.62 0.57 0.01 0.00 -2.23 0.00 0.00 60.65 59.62 2jtn s ILE 70 Cb -0.16 -3.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2jtn s ILE 70 CO 0.46 -0.22 0.53 0.00 -1.23 0.00 0.00 174.94 174.47 2jtn n LEU 71 N -0.53 -0.21 -5.00 2.97 -0.00 -1.26 -5.01 117.00 107.97 2jtn n LEU 71 Ca 0.01 -1.07 -0.22 0.00 -0.00 0.00 0.00 56.01 54.73 2jtn n LEU 71 Cb 0.53 0.64 0.05 0.00 -0.00 0.00 0.00 43.42 44.63 2jtn n LEU 71 CO 0.45 0.99 0.27 -1.81 -0.00 0.00 0.00 177.39 177.29 2jtn s ASP 72 N -0.17 4.87 -0.04 1.45 1.01 -1.26 -3.89 116.67 118.64 2jtn s ASP 72 Ca 0.01 -1.05 -0.11 0.00 0.71 0.00 0.00 52.55 52.11 2jtn s ASP 72 Cb 0.05 0.49 -0.31 0.00 1.01 0.00 0.00 42.92 44.16 2jtn s ASP 72 CO -0.01 -1.35 0.69 0.03 0.21 0.00 0.00 175.17 174.74 2jtn h ARG 73 N 0.30 0.40 -4.68 8.23 2.47 -1.96 -3.39 114.38 115.76 2jtn h ARG 73 Ca -0.31 -0.69 -0.70 0.00 -1.26 0.00 0.00 59.98 57.03 2jtn h ARG 73 Cb 1.30 0.26 -0.28 0.00 -1.65 0.00 0.00 29.97 29.59 2jtn h ARG 73 CO 0.46 1.32 -0.60 -0.06 0.56 0.00 0.00 179.97 181.65 2jtn s PHE 74 N -2.58 3.25 0.20 3.04 0.40 -1.26 0.92 117.98 121.95 2jtn s PHE 74 Ca -0.15 -1.38 0.11 0.00 -0.60 0.00 0.00 56.93 54.92 2jtn s PHE 74 Cb 0.05 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 2jtn s PHE 74 CO 0.86 -0.72 -0.24 0.42 0.70 0.00 0.00 175.22 176.25 2jtn s ILE 75 N 1.42 2.37 -0.33 0.64 -1.09 -0.94 -4.91 121.20 118.35 2jtn s ILE 75 Ca -0.01 -2.07 -0.02 0.00 -2.23 0.00 0.00 60.65 56.32 2jtn s ILE 75 Cb -0.19 -2.14 0.07 0.00 -1.58 0.00 0.00 42.46 38.61 2jtn s ILE 75 CO 0.03 -0.14 0.05 -0.76 -1.23 0.00 0.00 174.94 172.89 2jtn s LEU 76 N -2.75 4.27 -0.28 2.97 1.02 -1.21 -2.97 118.68 119.74 2jtn s LEU 76 Ca 0.22 -1.50 -0.20 0.00 0.02 0.00 0.00 54.13 52.67 2jtn s LEU 76 Cb -0.08 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 2jtn s LEU 76 CO 0.10 -0.33 0.60 -0.75 0.02 0.00 0.00 176.35 175.98 2jtn s LYS 77 N 1.21 4.02 0.16 1.70 2.20 -0.93 0.40 119.74 128.49 2jtn s LYS 77 Ca -0.01 0.39 -0.15 0.00 -0.36 0.00 0.00 55.97 55.84 2jtn s LYS 77 Cb -0.20 -3.68 0.02 0.00 -1.51 0.00 0.00 37.83 32.46 2jtn s LYS 77 CO -0.02 -0.46 0.42 0.00 -0.36 0.00 0.00 175.35 174.93 2jtn s ALA 78 N 2.48 -0.73 -1.47 3.13 0.00 0.29 0.41 121.76 125.87 2jtn s ALA 78 Ca 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 2jtn s ALA 78 Cb -0.15 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2jtn s ALA 78 CO 0.10 -0.70 0.70 1.28 0.00 0.00 0.00 175.76 177.14 2jtn n LEU 79 N -0.26 -2.53 -2.14 0.00 4.77 -1.26 -1.00 117.00 114.58 2jtn n LEU 79 Ca -0.12 -0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 55.29 2jtn n LEU 79 Cb 0.63 -2.77 -0.01 0.00 -2.33 0.00 0.00 43.42 38.95 2jtn n LEU 79 CO 0.19 0.30 -0.22 0.47 -1.33 0.00 0.00 177.39 176.79 2jtn n ASP 80 N -2.57 -5.35 -2.85 -1.43 9.92 -1.26 -4.94 116.55 108.07 2jtn n ASP 80 Ca -0.06 -0.03 -0.05 0.00 -0.53 0.00 0.00 54.79 54.11 2jtn n ASP 80 Cb 0.59 -4.40 0.02 0.00 -0.64 0.00 0.00 41.12 36.69 2jtn n ASP 80 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2jtn n ARG 81 N -2.83 0.82 -3.55 -1.24 1.74 -0.18 -5.14 116.66 106.28 2jtn n ARG 81 Ca -0.21 -1.69 -0.38 0.00 -0.77 0.00 0.00 57.85 54.80 2jtn n ARG 81 Cb 0.66 2.18 -0.10 0.00 -1.02 0.00 0.00 32.46 34.18 2jtn n ARG 81 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2jtn s HIS 82 N -2.63 3.25 -0.13 -1.55 -3.43 -1.26 0.10 115.29 109.65 2jtn s HIS 82 Ca 0.18 0.23 -0.01 0.00 -0.80 0.00 0.00 55.06 54.65 2jtn s HIS 82 Cb -0.04 -2.41 -0.02 0.00 -1.43 0.00 0.00 32.58 28.69 2jtn s HIS 82 CO 0.08 -0.12 -0.10 -1.58 -2.00 0.00 0.00 174.74 171.02 2jtn s TRP 83 N 1.67 2.88 1.20 0.38 0.52 0.16 -3.22 118.94 122.52 2jtn s TRP 83 Ca 0.09 -0.51 -0.17 0.00 0.02 0.00 0.00 56.10 55.54 2jtn s TRP 83 Cb -0.15 -1.87 0.24 0.00 -1.15 0.00 0.00 33.47 30.53 2jtn s TRP 83 CO 0.09 -0.13 0.58 1.58 0.02 0.00 0.00 176.95 179.09 2jtn n HIS 84 N 3.46 -1.83 0.12 -1.98 -0.00 -1.26 -3.32 115.22 110.42 2jtn n HIS 84 Ca -0.18 -0.16 -0.24 0.00 0.46 0.00 0.00 57.72 57.61 2jtn n HIS 84 Cb 0.53 -1.56 -0.16 0.00 -0.12 0.00 0.00 29.99 28.68 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 -2.65 0.77 0.58 0.26 0.87 -1.93 -3.01 113.55 108.43 2jtn h SER 85 Ca -0.54 -0.93 -0.25 0.00 -1.23 0.00 0.00 61.79 58.84 2jtn h SER 85 Cb 1.30 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 2jtn h SER 85 CO 0.40 1.64 -1.58 0.11 -0.53 0.00 0.00 176.83 176.87 2jtn h LYS 86 N 0.03 0.00 -0.03 2.24 1.57 -1.98 -3.35 116.57 115.05 2jtn h LYS 86 Ca -0.23 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.44 2jtn h LYS 86 Cb 2.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.34 2jtn h LYS 86 CO 0.25 0.44 -0.48 0.00 -0.57 0.00 0.00 179.45 179.08 2jtn s LEU 88 N -7.99 3.23 -0.06 0.00 2.96 -1.14 -4.84 118.68 110.86 2jtn s LEU 88 Ca -0.03 -1.83 -0.06 0.00 -0.22 0.00 0.00 54.13 51.99 2jtn s LEU 88 Cb 0.13 -2.59 0.01 0.00 0.50 0.00 0.00 46.19 44.25 2jtn s LEU 88 CO 0.75 -2.64 0.16 -0.54 -1.32 0.00 0.00 176.35 172.77 2jtn s LYS 89 N 5.96 0.23 0.25 1.98 -0.14 -1.26 -3.68 119.74 123.08 2jtn s LYS 89 Ca 0.65 0.16 -0.31 0.00 -1.36 0.00 0.00 55.97 55.11 2jtn s LYS 89 Cb 0.00 0.11 -0.12 0.00 -1.68 0.00 0.00 37.83 36.14 2jtn s LYS 89 CO 0.12 -0.03 1.67 0.00 -0.76 0.00 0.00 175.35 176.34 2jtn n SER 91 N 3.10 0.00 -0.05 0.00 7.64 -1.25 0.11 113.62 123.17 2jtn n SER 91 Ca 0.12 -0.29 -0.05 0.00 1.01 0.00 0.00 58.87 59.66 2jtn n SER 91 Cb 0.36 -0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 2jtn n SER 91 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jtn n ASP 92 N -1.21 2.88 -0.04 6.43 2.03 -1.26 -4.76 116.55 120.61 2jtn n ASP 92 Ca 0.15 -0.01 -0.04 0.00 0.52 0.00 0.00 54.79 55.41 2jtn n ASP 92 Cb 0.19 0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 41.08 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 -2.33 -0.51 -2.43 0.00 -0.00 0.29 -4.94 115.22 105.30 2jtn n HIS 94 Ca -0.14 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.76 2jtn n HIS 94 Cb 0.77 -3.65 0.00 0.00 -0.12 0.00 0.00 29.99 26.99 2jtn n HIS 94 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2jtn s VAL 95 N -2.89 4.85 0.06 3.57 -7.23 -1.26 -4.77 120.40 112.73 2jtn s VAL 95 Ca 0.00 0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 2jtn s VAL 95 Cb 0.00 -3.86 -0.09 0.00 0.56 0.00 0.00 36.38 32.98 2jtn s VAL 95 CO 0.00 -0.92 1.95 -2.65 -0.31 0.00 0.00 175.10 173.17 2jtn n PRO 96 N -2.37 2.86 -0.87 4.82 -0.02 -1.26 -3.98 135.00 134.18 2jtn n PRO 96 Ca 0.02 1.05 0.04 0.00 -2.02 0.00 0.00 63.50 62.59 2jtn n PRO 96 Cb 0.55 -2.99 0.16 0.00 -0.02 0.00 0.00 33.50 31.19 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 7.11 2.41 0.20 2.45 4.32 -1.24 -4.75 117.00 127.50 2jtn n LEU 97 Ca 0.20 -3.52 0.14 0.00 -0.02 0.00 0.00 56.01 52.81 2jtn n LEU 97 Cb 0.40 -0.40 0.50 0.00 -1.62 0.00 0.00 43.42 42.30 2jtn n LEU 97 CO 0.68 1.23 0.90 0.00 -1.22 0.00 0.00 177.39 178.99 2jtn h ALA 98 N 1.06 1.00 0.10 -1.18 0.00 -1.85 -3.20 119.26 115.18 2jtn h ALA 98 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.50 2jtn h ALA 98 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2jtn h ALA 98 CO 0.05 0.00 -2.08 0.39 0.00 0.00 0.00 179.25 177.61 2jtn n GLU 99 N -2.69 0.74 -4.20 0.00 1.02 -1.26 -5.00 120.64 109.25 2jtn n GLU 99 Ca 0.02 0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 2jtn n GLU 99 Cb 0.34 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.55 1.25 0.06 3.49 3.00 -1.21 -4.72 118.95 118.27 2jtn s ARG 100 Ca -0.24 -1.66 -0.14 0.00 0.00 0.00 0.00 55.73 53.69 2jtn s ARG 100 Cb 0.07 0.28 0.02 0.00 0.00 0.00 0.00 34.95 35.32 2jtn s ARG 100 CO 0.74 -0.41 0.33 0.00 0.00 0.00 0.00 175.30 175.96 2jtn s PHE 102 N -2.86 -1.21 0.19 0.00 2.19 -1.26 -4.31 117.98 110.71 2jtn s PHE 102 Ca -0.03 2.12 0.04 0.00 0.33 0.00 0.00 56.93 59.40 2jtn s PHE 102 Cb 0.00 0.67 -0.05 0.00 -1.31 0.00 0.00 43.02 42.34 2jtn s PHE 102 CO -0.05 -0.62 -0.07 0.45 1.83 0.00 0.00 175.22 176.76 2jtn s SER 103 N 2.82 1.90 -0.21 6.13 0.15 -1.26 -0.56 113.70 122.68 2jtn s SER 103 Ca -0.05 -1.10 -0.09 0.00 0.70 0.00 0.00 55.95 55.42 2jtn s SER 103 Cb -0.12 -0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.26 2jtn s SER 103 CO -0.17 -0.39 0.47 -0.13 1.20 0.00 0.00 173.24 174.22 2jtn s ARG 104 N -3.78 0.41 0.00 5.44 1.81 -1.07 -4.84 118.95 116.91 2jtn s ARG 104 Ca 0.22 1.03 0.00 0.00 -1.72 0.00 0.00 55.73 55.26 2jtn s ARG 104 Cb 0.03 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.80 2jtn s ARG 104 CO 0.04 -0.21 0.00 0.41 -0.68 0.00 0.00 175.30 174.87 2jtn n GLY 105 N 4.95 1.61 0.97 -3.53 0.00 -1.26 -3.95 105.19 103.98 2jtn n GLY 105 Ca -0.15 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -0.57 1.61 -0.58 -1.26 -5.11 120.64 114.73 2jtn n GLU 106 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 2jtn n GLU 106 Cb 0.00 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.08 2jtn n GLU 106 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jtn n SER 107 N -1.86 -0.77 -4.38 1.62 7.64 -1.25 -4.99 113.62 109.63 2jtn n SER 107 Ca 0.00 0.12 -0.37 0.00 1.01 0.00 0.00 58.87 59.62 2jtn n SER 107 Cb 0.00 -1.36 -0.12 0.00 -1.01 0.00 0.00 64.21 61.71 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 -2.51 4.13 -0.18 0.44 0.11 -1.26 -2.60 120.40 118.52 2jtn s VAL 108 Ca 0.68 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 59.17 2jtn s VAL 108 Cb -0.24 -3.09 0.01 0.00 -1.53 0.00 0.00 36.38 31.53 2jtn s VAL 108 CO 0.62 0.13 -0.16 -0.31 -3.33 0.00 0.00 175.10 172.05 2jtn s TYR 109 N 1.54 2.82 1.22 1.54 1.51 0.28 -3.81 117.35 122.45 2jtn s TYR 109 Ca 0.04 -1.39 -0.14 0.00 -1.01 0.00 0.00 57.07 54.57 2jtn s TYR 109 Cb -0.17 -1.96 0.31 0.00 -0.11 0.00 0.00 41.96 40.04 2jtn s TYR 109 CO 0.03 -0.70 1.00 0.00 -1.11 0.00 0.00 175.55 174.78 2jtn h LYS 111 N -2.84 0.12 -0.02 0.00 3.64 -1.93 -2.93 116.57 112.62 2jtn h LYS 111 Ca -0.63 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 58.62 2jtn h LYS 111 Cb 1.34 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.16 2jtn h LYS 111 CO 0.49 1.00 -0.45 0.22 -2.27 0.00 0.00 179.45 178.43 2jtn h ASP 112 N 0.05 -1.39 1.48 4.20 3.58 -2.02 -1.55 116.42 120.78 2jtn h ASP 112 Ca -0.05 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2jtn h ASP 112 Cb 1.67 0.54 -0.00 0.00 1.72 0.00 0.00 39.33 43.26 2jtn h ASP 112 CO 0.14 -0.47 -0.08 -2.24 -2.88 0.00 0.00 179.24 173.71 2jtn h ASP 113 N -0.59 0.00 0.01 2.28 3.04 -1.96 -3.10 116.42 116.10 2jtn h ASP 113 Ca 0.04 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.83 2jtn h ASP 113 Cb 0.67 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.96 2jtn h ASP 113 CO -0.34 0.08 -0.00 0.15 -2.04 0.00 0.00 179.24 177.08 2jtn h PHE 114 N 0.00 0.00 0.12 4.15 3.04 -1.09 0.96 116.94 124.12 2jtn h PHE 114 Ca -0.00 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.76 2jtn h PHE 114 Cb 0.83 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.37 2jtn h PHE 114 CO 0.00 0.00 -0.81 0.74 -2.02 0.00 0.00 178.31 176.23 2jtn h PHE 115 N 0.00 0.58 0.00 0.41 0.04 -1.40 0.98 116.94 117.55 2jtn h PHE 115 Ca -0.00 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2jtn h PHE 115 Cb 0.01 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2jtn h PHE 115 CO 0.00 1.29 -0.21 -0.22 -0.60 0.00 0.00 178.31 178.57 2jtn h LYS 116 N -0.30 0.00 0.08 1.51 3.64 -1.52 -1.77 116.57 118.20 2jtn h LYS 116 Ca -0.14 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2jtn h LYS 116 Cb 1.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2jtn h LYS 116 CO 0.15 0.00 -0.04 0.00 -2.27 0.00 0.00 179.45 177.29 2jtn h ARG 117 N -0.80 -0.10 0.11 1.90 2.47 0.70 -3.31 114.38 115.34 2jtn h ARG 117 Ca 0.00 0.01 -0.31 0.00 -1.26 0.00 0.00 59.98 58.42 2jtn h ARG 117 Cb 0.21 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2jtn h ARG 117 CO 0.00 -0.07 -1.65 0.74 0.56 0.00 0.00 179.97 179.56 2jtn h PHE 118 N -0.11 0.41 -1.82 3.04 -1.00 -1.36 -3.48 116.94 112.62 2jtn h PHE 118 Ca -0.01 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.47 2jtn h PHE 118 Cb 0.08 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.63 2jtn h PHE 118 CO -0.07 1.65 0.00 0.41 -1.61 0.00 0.00 178.31 178.68 2jtn n GLY 119 N 1.80 -1.10 3.71 -1.45 0.00 0.34 -4.95 105.19 103.54 2jtn n GLY 119 Ca -0.29 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 2jtn n GLY 119 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jtn n THR 120 N -1.68 4.38 -3.78 2.61 -1.04 -1.03 -4.53 114.28 109.21 2jtn n THR 120 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 2jtn n THR 120 Cb 0.00 -1.48 -0.05 0.00 -1.82 0.00 0.00 70.33 66.97 2jtn n THR 120 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2jtn s LYS 121 N -3.10 1.11 -0.05 -2.82 2.20 -1.26 -4.27 119.74 111.55 2jtn s LYS 121 Ca 0.78 -0.90 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 2jtn s LYS 121 Cb -0.40 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2jtn s LYS 121 CO 0.44 -0.43 1.00 0.00 -0.36 0.00 0.00 175.35 176.01 2jtn n ALA 123 N 4.48 5.44 0.05 0.00 0.00 -1.25 -3.03 120.51 126.19 2jtn n ALA 123 Ca 0.08 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.79 2jtn n ALA 123 Cb 0.50 -1.44 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 -1.01 3.00 -0.01 0.00 0.00 -1.26 -4.91 120.51 116.31 2jtn n ALA 124 Ca 0.56 0.00 0.03 0.00 0.00 0.00 0.00 53.44 54.03 2jtn n ALA 124 Cb 1.53 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 21.16 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 -1.97 -0.71 -0.91 0.00 6.02 -1.17 -5.09 117.38 113.55 2jtn n GLN 126 Ca -0.05 1.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.95 2jtn n GLN 126 Cb 0.40 -3.31 0.00 0.00 1.02 0.00 0.00 30.24 28.35 2jtn n GLN 126 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2jtn n LEU 127 N -1.03 0.00 -4.24 1.08 7.94 -1.26 -5.00 117.00 114.49 2jtn n LEU 127 Ca 0.02 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.53 2jtn n LEU 127 Cb 0.40 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.24 2jtn n LEU 127 CO 0.22 0.00 -0.19 -0.83 -1.11 0.00 0.00 177.39 175.48 2jtn s GLY 128 N -0.45 1.91 -0.17 -3.96 0.00 -1.26 -4.32 107.32 99.06 2jtn s GLY 128 Ca 0.00 -2.05 -0.15 0.00 0.00 0.00 0.00 44.72 42.52 2jtn s GLY 128 CO 0.00 0.89 0.36 -0.42 0.00 0.00 0.00 173.10 173.93 2jtn s ILE 129 N 1.36 5.25 1.12 0.90 1.01 -1.26 -5.08 121.20 124.50 2jtn s ILE 129 Ca 0.02 0.66 -0.17 0.00 0.00 0.00 0.00 60.65 61.15 2jtn s ILE 129 Cb -0.22 -3.69 0.18 0.00 0.01 0.00 0.00 42.46 38.74 2jtn s ILE 129 CO 0.01 0.32 0.29 -2.65 0.00 0.00 0.00 174.94 172.92 2jtn n PRO 130 N 3.96 -2.41 -0.02 2.79 -0.02 -1.26 -4.92 135.00 133.13 2jtn n PRO 130 Ca -0.10 -0.70 -0.16 0.00 -2.02 0.00 0.00 63.50 60.52 2jtn n PRO 130 Cb 0.51 -1.63 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 2jtn n PRO 130 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2jtn h PRO 131 N -2.60 0.18 0.00 0.52 0.13 -1.99 -3.40 132.00 124.85 2jtn h PRO 131 Ca -0.38 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2jtn h PRO 131 Cb 1.08 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2jtn h PRO 131 CO 0.26 1.01 -0.24 2.41 -0.23 0.00 0.00 178.00 181.21 2jtn n THR 132 N -4.44 1.41 -0.00 1.56 -1.04 -1.26 0.51 114.28 111.01 2jtn n THR 132 Ca -0.11 -1.83 -0.00 0.00 -2.04 0.00 0.00 64.05 60.07 2jtn n THR 132 Cb 0.57 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 -0.97 -1.38 -4.04 -2.82 10.64 -1.26 -4.74 117.38 112.81 2jtn n GLN 133 Ca 0.12 -0.02 -0.32 0.00 -1.83 0.00 0.00 57.00 54.96 2jtn n GLN 133 Cb 0.69 -0.03 -0.15 0.00 -0.86 0.00 0.00 30.24 29.89 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 -0.85 2.05 0.17 -0.39 1.01 -1.26 -3.54 120.40 117.59 2jtn s VAL 134 Ca 0.01 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.14 2jtn s VAL 134 Cb -0.00 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.19 2jtn s VAL 134 CO 0.01 -0.12 0.53 0.54 0.00 0.00 0.00 175.10 176.06 2jtn s VAL 135 N 1.13 0.03 -0.11 2.92 0.11 -1.26 -4.79 120.40 118.43 2jtn s VAL 135 Ca -0.06 -0.41 -0.12 0.00 -2.93 0.00 0.00 61.98 58.47 2jtn s VAL 135 Cb -0.20 -1.24 -0.05 0.00 -1.53 0.00 0.00 36.38 33.36 2jtn s VAL 135 CO -0.06 -0.12 0.27 0.00 -3.33 0.00 0.00 175.10 171.87 2jtn s ARG 136 N -3.80 3.96 0.03 1.54 3.03 -1.26 0.93 118.95 123.37 2jtn s ARG 136 Ca 0.04 0.09 0.06 0.00 2.03 0.00 0.00 55.73 57.96 2jtn s ARG 136 Cb -0.00 -3.31 -0.03 0.00 -1.03 0.00 0.00 34.95 30.57 2jtn s ARG 136 CO -0.09 0.49 -0.17 -0.98 -1.13 0.00 0.00 175.30 173.42 2jtn s ARG 137 N -0.30 2.15 -0.79 3.89 1.04 -1.26 -3.19 118.95 120.49 2jtn s ARG 137 Ca 0.17 -0.93 -0.23 0.00 -1.04 0.00 0.00 55.73 53.70 2jtn s ARG 137 Cb -0.13 -2.23 0.06 0.00 -2.04 0.00 0.00 34.95 30.61 2jtn s ARG 137 CO 0.06 0.55 1.17 0.00 -0.04 0.00 0.00 175.30 177.04 2jtn s ALA 138 N -0.90 2.97 0.00 7.88 0.00 0.30 -4.87 121.76 127.14 2jtn s ALA 138 Ca 0.14 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2jtn s ALA 138 Cb -0.11 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2jtn s ALA 138 CO 0.05 -3.11 0.00 1.04 0.00 0.00 0.00 175.76 173.74 2jtn n GLN 139 N 8.24 0.00 0.01 0.00 6.02 -1.26 0.24 117.38 130.63 2jtn n GLN 139 Ca 0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 2jtn n GLN 139 Cb 0.48 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.60 2jtn n GLN 139 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jtn h ASP 140 N 0.00 0.36 -2.86 1.08 5.19 -2.00 -3.47 116.42 114.72 2jtn h ASP 140 Ca 0.00 -0.86 -0.45 0.00 -0.62 0.00 0.00 57.03 55.10 2jtn h ASP 140 Cb 0.00 -0.12 0.04 0.00 0.18 0.00 0.00 39.33 39.44 2jtn h ASP 140 CO 0.00 1.54 -0.01 -0.36 -3.12 0.00 0.00 179.24 177.29 2jtn s PHE 141 N -2.45 3.05 -0.15 4.55 0.40 0.14 -5.10 117.98 118.42 2jtn s PHE 141 Ca -0.19 0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2jtn s PHE 141 Cb 0.03 -2.63 0.02 0.00 0.51 0.00 0.00 43.02 40.96 2jtn s PHE 141 CO 0.77 -0.72 -0.14 0.54 0.70 0.00 0.00 175.22 176.37 2jtn s VAL 142 N -2.76 1.56 -0.12 -0.44 0.11 -1.26 0.11 120.40 117.61 2jtn s VAL 142 Ca 0.54 -0.64 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 2jtn s VAL 142 Cb -0.10 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.23 2jtn s VAL 142 CO 0.40 0.45 0.08 -0.31 -3.33 0.00 0.00 175.10 172.38 2jtn s TYR 143 N 1.49 3.39 0.41 1.54 1.51 -1.19 -3.84 117.35 120.66 2jtn s TYR 143 Ca 0.05 0.35 -0.27 0.00 -1.01 0.00 0.00 57.07 56.19 2jtn s TYR 143 Cb -0.13 -1.90 -0.10 0.00 -0.11 0.00 0.00 41.96 39.72 2jtn s TYR 143 CO -0.11 0.57 1.45 -1.01 -1.11 0.00 0.00 175.55 175.34 2jtn s HIS 144 N -0.80 2.55 0.41 2.71 3.76 -1.26 -4.27 115.29 118.38 2jtn s HIS 144 Ca 0.13 1.22 0.39 0.00 -0.15 0.00 0.00 55.06 56.64 2jtn s HIS 144 Cb -0.12 -3.96 2.04 0.00 1.11 0.00 0.00 32.58 31.65 2jtn s HIS 144 CO 0.03 -2.92 2.18 1.37 -0.85 0.00 0.00 174.74 174.54 2jtn h LEU 145 N 2.71 0.00 0.10 0.89 8.10 -1.90 0.21 115.31 125.43 2jtn h LEU 145 Ca -0.51 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.15 2jtn h LEU 145 Cb 1.25 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.45 2jtn h LEU 145 CO 0.63 0.00 -1.79 0.45 -4.11 0.00 0.00 178.44 173.62 2jtn h HIS 146 N 0.00 0.39 -0.60 0.17 3.86 -1.99 -3.35 115.15 113.63 2jtn h HIS 146 Ca 0.00 -0.29 -0.06 0.00 -1.16 0.00 0.00 60.37 58.86 2jtn h HIS 146 Cb 0.06 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 2jtn h HIS 146 CO 0.00 1.50 0.08 0.00 0.86 0.00 0.00 177.93 180.37 2jtn s PHE 148 N -2.85 3.01 -0.14 0.00 5.36 0.61 -4.68 117.98 119.30 2jtn s PHE 148 Ca 0.54 0.05 -0.32 0.00 -0.96 0.00 0.00 56.93 56.25 2jtn s PHE 148 Cb 0.42 -3.56 0.13 0.00 -0.34 0.00 0.00 43.02 39.68 2jtn s PHE 148 CO 0.15 -0.96 1.09 0.00 -1.46 0.00 0.00 175.22 174.04 2jtn s ALA 149 N 3.12 -1.98 0.65 11.12 0.00 -1.26 -3.91 121.76 129.50 2jtn s ALA 149 Ca 0.27 1.44 -0.18 0.00 0.00 0.00 0.00 51.96 53.50 2jtn s ALA 149 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2jtn s ALA 149 CO 0.21 -0.55 1.16 0.00 0.00 0.00 0.00 175.76 176.58 2jtn n VAL 151 N -1.98 1.72 0.10 0.00 0.24 0.31 -2.64 118.33 116.08 2jtn n VAL 151 Ca 0.15 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 2jtn n VAL 151 Cb 0.48 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 2jtn n VAL 151 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2jtn n VAL 152 N 0.16 0.15 0.15 3.34 0.31 -1.26 -4.88 118.33 116.30 2jtn n VAL 152 Ca 0.20 0.05 0.10 0.00 -0.01 0.00 0.00 64.34 64.68 2jtn n VAL 152 Cb 0.87 -0.55 0.07 0.00 -0.91 0.00 0.00 33.84 33.33 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 -2.92 -1.56 -4.63 0.00 5.02 -1.08 -4.98 118.16 108.01 2jtn n LYS 154 Ca 0.01 0.76 -0.23 0.00 -2.02 0.00 0.00 58.31 56.83 2jtn n LYS 154 Cb 0.58 -4.74 -0.15 0.00 -0.02 0.00 0.00 35.03 30.69 2jtn n LYS 154 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jtn s ARG 155 N -3.86 1.27 0.66 1.97 6.06 -1.26 -4.79 118.95 118.99 2jtn s ARG 155 Ca 0.28 -0.48 -0.16 0.00 -2.50 0.00 0.00 55.73 52.88 2jtn s ARG 155 Cb -0.04 -1.17 -0.00 0.00 0.06 0.00 0.00 34.95 33.80 2jtn s ARG 155 CO 0.56 0.24 1.13 -0.65 -2.50 0.00 0.00 175.30 174.08 2jtn s GLN 156 N -0.09 2.74 0.08 5.12 -0.21 -1.25 -1.69 119.66 124.36 2jtn s GLN 156 Ca 0.01 1.50 0.09 0.00 0.02 0.00 0.00 55.36 56.98 2jtn s GLN 156 Cb -0.08 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 2jtn s GLN 156 CO 0.00 -1.31 -0.23 -0.51 -2.12 0.00 0.00 175.29 171.12 2jtn s LEU 157 N -4.77 2.23 0.27 2.90 2.01 -1.26 -4.94 118.68 115.14 2jtn s LEU 157 Ca 0.69 -0.63 0.05 0.00 0.01 0.00 0.00 54.13 54.26 2jtn s LEU 157 Cb -0.23 -1.08 -0.06 0.00 0.01 0.00 0.00 46.19 44.84 2jtn s LEU 157 CO 0.40 0.16 -0.02 0.00 1.01 0.00 0.00 176.35 177.90 2jtn s ALA 158 N -0.94 2.21 -0.01 4.21 0.00 -1.26 -5.03 121.76 120.93 2jtn s ALA 158 Ca 0.10 -1.89 -0.38 0.00 0.00 0.00 0.00 51.96 49.78 2jtn s ALA 158 Cb -0.10 0.35 -0.17 0.00 0.00 0.00 0.00 23.12 23.20 2jtn s ALA 158 CO 0.03 -0.16 1.35 -2.37 0.00 0.00 0.00 175.76 174.61 2jtn n THR 159 N -0.56 0.04 0.00 0.00 5.66 -1.26 -0.83 114.28 117.34 2jtn n THR 159 Ca -0.05 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2jtn n THR 159 Cb 0.64 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 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 2.60 2.72 3.71 1.09 0.00 0.29 -4.89 105.19 110.70 2jtn n GLY 160 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2jtn n GLY 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jtn s ASP 161 N -0.01 6.90 -0.27 1.61 1.11 -0.01 -4.73 116.67 121.26 2jtn s ASP 161 Ca 0.00 2.20 -0.22 0.00 0.18 0.00 0.00 52.55 54.71 2jtn s ASP 161 Cb 0.00 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.40 2jtn s ASP 161 CO 0.00 -0.62 0.71 -1.61 1.18 0.00 0.00 175.17 174.84 2jtn s GLU 162 N 1.37 4.05 0.05 8.23 2.02 -1.26 0.57 118.70 133.73 2jtn s GLU 162 Ca 0.63 0.60 0.02 0.00 0.02 0.00 0.00 54.97 56.24 2jtn s GLU 162 Cb -0.34 -3.68 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 2jtn s GLU 162 CO 0.29 -0.53 -0.08 -0.59 0.02 0.00 0.00 175.26 174.37 2jtn s PHE 163 N 2.71 0.73 0.50 1.61 -0.71 -1.01 -4.51 117.98 117.29 2jtn s PHE 163 Ca 0.29 -0.55 0.05 0.00 -1.04 0.00 0.00 56.93 55.69 2jtn s PHE 163 Cb -0.15 -0.43 0.03 0.00 -1.21 0.00 0.00 43.02 41.26 2jtn s PHE 163 CO 0.10 -0.08 0.68 0.71 -1.34 0.00 0.00 175.22 175.29 2jtn s TYR 164 N -1.66 2.66 -0.11 3.49 2.02 0.35 -3.35 117.35 120.75 2jtn s TYR 164 Ca -0.07 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2jtn s TYR 164 Cb -0.08 -2.54 0.03 0.00 -0.40 0.00 0.00 41.96 38.97 2jtn s TYR 164 CO -0.00 -0.71 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.07 2jtn s LEU 165 N -4.57 1.02 1.04 -1.29 2.96 -1.26 -3.06 118.68 113.51 2jtn s LEU 165 Ca 0.57 -0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 54.03 2jtn s LEU 165 Cb -0.10 -0.68 0.15 0.00 0.50 0.00 0.00 46.19 46.07 2jtn s LEU 165 CO 0.36 -0.17 0.69 0.23 -1.32 0.00 0.00 176.35 176.13 2jtn n MET 166 N 5.02 -1.17 0.15 1.98 2.81 -1.14 -4.86 117.12 119.91 2jtn n MET 166 Ca -0.10 -0.30 0.12 0.00 -1.81 0.00 0.00 57.70 55.60 2jtn n MET 166 Cb 0.49 -2.05 0.63 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.06 0.06 0.00 0.03 5.08 -2.01 -3.34 114.58 112.34 2jtn h GLU 167 Ca -0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2jtn h GLU 167 Cb 1.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2jtn h GLU 167 CO 0.41 0.04 0.00 -0.25 -1.00 0.00 0.00 179.01 178.20 2jtn n ASP 168 N -4.48 0.00 0.00 1.42 8.00 -1.26 -5.05 116.55 115.18 2jtn n ASP 168 Ca 0.02 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2jtn n ASP 168 Cb 0.26 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.26 0.00 -3.66 -2.24 3.41 -1.25 -5.04 113.62 103.58 2jtn n SER 169 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 2jtn n SER 169 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.00 0.08 -0.03 4.33 0.52 -1.26 -4.86 118.95 117.72 2jtn s ARG 170 Ca 0.00 0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 55.51 2jtn s ARG 170 Cb 0.00 -0.26 -0.06 0.00 0.52 0.00 0.00 34.95 35.15 2jtn s ARG 170 CO 0.00 -0.32 1.63 -0.51 0.02 0.00 0.00 175.30 176.12 2jtn s LEU 171 N 2.33 4.33 0.00 2.53 1.43 -1.26 -2.86 118.68 125.18 2jtn s LEU 171 Ca 0.03 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 2jtn s LEU 171 Cb -0.12 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.55 2jtn s LEU 171 CO -0.07 -0.90 -0.01 0.54 0.23 0.00 0.00 176.35 176.14 2jtn s VAL 172 N 3.62 0.10 0.40 -1.59 0.11 -1.17 0.11 120.40 121.99 2jtn s VAL 172 Ca 0.73 -0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.65 2jtn s VAL 172 Cb -0.34 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2jtn s VAL 172 CO 0.30 -0.01 0.64 0.00 -3.33 0.00 0.00 175.10 172.69 2jtn h LYS 174 N 0.54 0.38 -0.19 0.00 1.57 -1.96 0.63 116.57 117.54 2jtn h LYS 174 Ca -0.48 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 2jtn h LYS 174 Cb 1.22 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2jtn h LYS 174 CO 0.61 0.25 0.17 0.00 -0.57 0.00 0.00 179.45 179.91 2jtn h ALA 175 N 1.20 1.93 -0.01 3.86 0.00 -1.95 -0.44 119.26 123.85 2jtn h ALA 175 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jtn h ALA 175 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jtn h ALA 175 CO -0.11 -0.27 -0.55 -0.25 0.00 0.00 0.00 179.25 178.07 2jtn n ASP 176 N -4.04 1.36 0.14 0.00 8.00 -0.55 -4.37 116.55 117.09 2jtn n ASP 176 Ca 0.02 -1.18 -0.08 0.00 0.71 0.00 0.00 54.79 54.26 2jtn n ASP 176 Cb 0.30 0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 42.05 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 1.17 -0.55 -0.11 1.24 3.20 0.20 0.83 116.97 122.96 2jtn h TYR 177 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2jtn h TYR 177 Cb 0.52 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2jtn h TYR 177 CO 0.00 -0.28 -0.12 0.93 -1.64 0.00 0.00 178.16 177.05 2jtn h GLU 178 N -0.44 0.16 -0.05 1.82 5.08 -1.73 -1.13 114.58 118.30 2jtn h GLU 178 Ca -0.03 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2jtn h GLU 178 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jtn h GLU 178 CO 0.00 0.29 -0.55 1.15 -1.00 0.00 0.00 179.01 178.91 2jtn h THR 179 N 0.16 1.38 0.02 1.13 2.02 -1.71 -3.29 112.91 112.62 2jtn h THR 179 Ca 0.03 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.35 2jtn h THR 179 Cb 0.31 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2jtn h THR 179 CO 0.02 0.54 -0.01 0.00 0.37 0.00 0.00 175.52 176.44 2jtn h ALA 180 N 1.34 -0.02 0.00 6.16 0.00 0.14 -3.49 119.26 123.38 2jtn h ALA 180 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jtn h ALA 180 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jtn h ALA 180 CO 0.08 -0.06 0.00 1.17 0.00 0.00 0.00 179.25 180.44 2jtn n LYS 181 N -4.69 0.00 0.00 0.00 0.00 -0.49 -5.09 118.16 107.88 2jtn n LYS 181 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.33 2jtn n LYS 181 Cb 0.36 0.00 0.59 0.00 0.00 0.00 0.00 35.03 35.98 2jtn n LYS 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44