#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 -7.96 -0.10 4.04 2.88 -1.26 -4.93 113.62 106.30 2jtn n SER 2 Ca 0.00 1.55 -0.17 0.00 -1.33 0.00 0.00 58.87 58.92 2jtn n SER 2 Cb 0.00 -5.00 -0.06 0.00 -0.75 0.00 0.00 64.21 58.40 2jtn n SER 2 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jtn n GLN 3 N -4.01 0.49 -1.73 -1.46 7.27 -1.26 -5.00 117.38 111.68 2jtn n GLN 3 Ca -0.08 0.21 -0.37 0.00 0.07 0.00 0.00 57.00 56.83 2jtn n GLN 3 Cb 0.65 -1.35 0.07 0.00 2.41 0.00 0.00 30.24 32.02 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 -2.63 2.00 -1.12 1.69 -7.23 -1.26 -4.84 120.40 107.01 2jtn s VAL 4 Ca -0.30 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.65 2jtn s VAL 4 Cb 0.08 -3.00 -0.09 0.00 0.56 0.00 0.00 36.38 33.93 2jtn s VAL 4 CO 0.41 -0.00 1.92 -0.81 -0.31 0.00 0.00 175.10 176.30 2jtn n PRO 5 N -1.81 1.71 -2.45 4.82 -0.04 -1.26 -4.52 135.00 131.46 2jtn n PRO 5 Ca 0.15 -2.42 -0.02 0.00 -0.04 0.00 0.00 63.50 61.18 2jtn n PRO 5 Cb 0.48 -3.56 -0.02 0.00 -0.04 0.00 0.00 33.50 30.36 2jtn n PRO 5 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jtn n ASP 6 N 12.61 -6.45 -4.35 3.54 -0.08 -1.26 -5.06 116.55 115.50 2jtn n ASP 6 Ca 0.46 1.71 -0.19 0.00 -1.51 0.00 0.00 54.79 55.26 2jtn n ASP 6 Cb 0.45 -5.25 -0.10 0.00 2.34 0.00 0.00 41.12 38.57 2jtn n ASP 6 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2jtn s VAL 7 N -0.62 1.81 0.24 5.18 0.11 -1.26 -4.94 120.40 120.91 2jtn s VAL 7 Ca -0.10 -2.18 0.03 0.00 -2.93 0.00 0.00 61.98 56.79 2jtn s VAL 7 Cb 0.01 -2.03 -0.01 0.00 -1.53 0.00 0.00 36.38 32.82 2jtn s VAL 7 CO 0.27 -0.54 0.09 0.23 -3.33 0.00 0.00 175.10 171.82 2jtn n MET 8 N -0.30 0.68 -3.69 1.54 0.00 -1.07 -5.06 117.12 109.22 2jtn n MET 8 Ca -0.08 -2.03 -0.13 0.00 0.00 0.00 0.00 57.70 55.46 2jtn n MET 8 Cb 0.60 1.15 -0.09 0.00 0.00 0.00 0.00 33.22 34.89 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 -2.48 -0.00 0.48 2.03 0.11 -1.26 -2.29 120.40 116.99 2jtn s VAL 9 Ca 0.13 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.96 2jtn s VAL 9 Cb 0.01 -0.76 -0.07 0.00 -1.53 0.00 0.00 36.38 34.03 2jtn s VAL 9 CO 0.09 0.00 1.24 -0.69 -3.33 0.00 0.00 175.10 172.41 2jtn s VAL 10 N 0.36 2.74 0.00 2.04 1.01 0.28 -4.82 120.40 122.00 2jtn s VAL 10 Ca -0.01 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2jtn s VAL 10 Cb -0.04 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2jtn s VAL 10 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2jtn n GLY 11 N 0.55 5.05 3.74 4.51 0.00 -1.26 0.10 105.19 117.89 2jtn n GLY 11 Ca 0.08 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.16 2.77 0.10 1.61 2.02 -1.26 -3.67 118.70 119.11 2jtn s GLU 12 Ca 0.00 1.96 -0.27 0.00 0.02 0.00 0.00 54.97 56.69 2jtn s GLU 12 Cb 0.00 -1.90 -0.06 0.00 0.10 0.00 0.00 34.13 32.27 2jtn s GLU 12 CO 0.00 -1.40 0.83 -1.25 0.02 0.00 0.00 175.26 173.46 2jtn s PRO 13 N -3.33 4.59 -0.23 0.39 0.05 -1.26 -4.59 135.00 130.61 2jtn s PRO 13 Ca 0.80 1.22 -0.27 0.00 0.05 0.00 0.00 61.00 62.80 2jtn s PRO 13 Cb -0.34 -3.34 0.11 0.00 0.05 0.00 0.00 34.50 30.98 2jtn s PRO 13 CO 0.37 0.34 0.94 -0.08 0.05 0.00 0.00 177.00 178.62 2jtn s THR 14 N -0.35 0.00 0.45 1.26 -1.32 0.42 -4.43 115.64 111.67 2jtn s THR 14 Ca 0.40 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.93 2jtn s THR 14 Cb -0.22 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 2jtn s THR 14 CO 0.26 0.00 0.07 -0.76 -2.21 0.00 0.00 174.62 171.98 2jtn s LEU 15 N -0.14 2.72 0.19 9.08 1.43 -1.24 -4.27 118.68 126.45 2jtn s LEU 15 Ca 0.00 -1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 51.58 2jtn s LEU 15 Cb -0.04 -0.98 0.12 0.00 0.03 0.00 0.00 46.19 45.33 2jtn s LEU 15 CO -0.02 -0.66 1.84 0.00 0.23 0.00 0.00 176.35 177.75 2jtn h MET 16 N 1.48 0.74 -4.92 1.70 -0.00 -1.90 -3.49 114.93 108.54 2jtn h MET 16 Ca -0.43 -0.04 0.01 0.00 -0.00 0.00 0.00 59.70 59.23 2jtn h MET 16 Cb 1.27 -0.17 -0.11 0.00 -0.00 0.00 0.00 31.60 32.60 2jtn h MET 16 CO 0.75 0.49 -1.47 0.41 -0.00 0.00 0.00 176.91 177.08 2jtn n GLY 17 N -1.26 -5.48 0.94 -3.00 0.00 0.19 -4.97 105.19 91.61 2jtn n GLY 17 Ca 0.05 1.43 0.00 0.00 0.00 0.00 0.00 46.02 47.50 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 1.75 -0.13 2.52 -0.02 0.00 -1.21 -4.90 105.19 103.20 2jtn n GLY 18 Ca -0.33 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.97 -1.27 -0.45 1.61 -0.58 -1.26 -4.75 120.64 111.97 2jtn n GLU 19 Ca 0.00 1.12 0.06 0.00 -0.42 0.00 0.00 57.16 57.93 2jtn n GLU 19 Cb 0.00 -5.40 -0.02 0.00 -0.57 0.00 0.00 31.44 25.45 2jtn n GLU 19 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jtn n PHE 20 N -2.55 -2.38 -4.38 -0.32 7.35 -1.26 -4.88 117.46 109.04 2jtn n PHE 20 Ca -0.18 0.56 -0.26 0.00 -0.76 0.00 0.00 57.45 56.81 2jtn n PHE 20 Cb 0.60 -0.90 -0.12 0.00 0.35 0.00 0.00 39.48 39.41 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 -5.13 1.55 0.05 7.13 0.00 -1.26 -5.04 107.32 104.61 2jtn s GLY 21 Ca 0.00 -1.50 0.07 0.00 0.00 0.00 0.00 44.72 43.29 2jtn s GLY 21 CO 0.00 -1.51 1.00 -0.55 0.00 0.00 0.00 173.10 172.04 2jtn h ASP 22 N 3.57 0.07 -0.22 1.64 3.32 -1.94 -3.27 116.42 119.59 2jtn h ASP 22 Ca -0.47 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2jtn h ASP 22 Cb 1.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jtn h ASP 22 CO 0.44 1.08 0.00 1.21 -1.72 0.00 0.00 179.24 180.25 2jtn n GLU 23 N -3.27 1.66 0.06 3.56 2.13 -1.26 -4.34 120.64 119.18 2jtn n GLU 23 Ca -0.09 -1.00 -0.03 0.00 0.66 0.00 0.00 57.16 56.71 2jtn n GLU 23 Cb 1.00 -1.31 -0.01 0.00 0.27 0.00 0.00 31.44 31.38 2jtn n GLU 23 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2jtn h ASP 24 N 1.82 -0.14 -0.84 4.31 1.82 -1.99 -3.47 116.42 117.93 2jtn h ASP 24 Ca 0.00 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.07 2jtn h ASP 24 Cb 0.41 0.04 -0.06 0.00 0.68 0.00 0.00 39.33 40.40 2jtn h ASP 24 CO 0.00 -0.06 -0.36 -0.70 -1.61 0.00 0.00 179.24 176.51 2jtn s GLU 25 N -2.63 2.28 0.20 0.28 2.56 -1.26 -5.10 118.70 115.03 2jtn s GLU 25 Ca -0.02 -1.96 -0.30 0.00 0.00 0.00 0.00 54.97 52.69 2jtn s GLU 25 Cb 0.00 -2.07 -0.08 0.00 2.00 0.00 0.00 34.13 33.98 2jtn s GLU 25 CO 0.07 -0.46 1.08 -0.98 -0.56 0.00 0.00 175.26 174.41 2jtn s ARG 26 N -4.17 4.63 0.34 4.30 3.03 -1.26 -4.99 118.95 120.83 2jtn s ARG 26 Ca 0.35 1.70 0.08 0.00 2.03 0.00 0.00 55.73 59.89 2jtn s ARG 26 Cb -0.01 -3.27 -0.04 0.00 -1.03 0.00 0.00 34.95 30.60 2jtn s ARG 26 CO 0.21 0.15 0.13 -0.51 -1.13 0.00 0.00 175.30 174.15 2jtn s LEU 27 N -0.62 3.24 0.27 -1.89 1.02 -1.26 -4.36 118.68 115.08 2jtn s LEU 27 Ca 0.48 -0.79 -0.30 0.00 0.02 0.00 0.00 54.13 53.54 2jtn s LEU 27 Cb -0.29 -1.71 -0.11 0.00 0.02 0.00 0.00 46.19 44.10 2jtn s LEU 27 CO 0.35 -0.29 1.51 0.27 0.02 0.00 0.00 176.35 178.22 2jtn s ILE 28 N -2.43 2.36 -0.45 -0.59 -4.36 -1.26 -4.74 121.20 109.72 2jtn s ILE 28 Ca 0.37 0.31 -0.16 0.00 -0.26 0.00 0.00 60.65 60.91 2jtn s ILE 28 Cb -0.02 -3.20 0.05 0.00 1.25 0.00 0.00 42.46 40.55 2jtn s ILE 28 CO 0.22 0.05 0.39 -0.89 0.24 0.00 0.00 174.94 174.96 2jtn s THR 29 N -0.03 5.20 -0.66 8.37 2.01 0.17 -4.92 115.64 125.78 2jtn s THR 29 Ca 0.61 -0.85 -0.25 0.00 0.31 0.00 0.00 61.69 61.51 2jtn s THR 29 Cb -0.45 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.02 2jtn s THR 29 CO 0.46 -0.52 1.11 -0.60 -0.69 0.00 0.00 174.62 174.38 2jtn s ARG 30 N 1.78 3.23 0.12 4.92 6.06 -1.26 -0.57 118.95 133.23 2jtn s ARG 30 Ca 0.06 -0.37 -0.07 0.00 -2.50 0.00 0.00 55.73 52.86 2jtn s ARG 30 Cb -0.22 -4.15 -0.01 0.00 0.06 0.00 0.00 34.95 30.63 2jtn s ARG 30 CO 0.09 -1.87 0.19 -0.48 -2.50 0.00 0.00 175.30 170.72 2jtn s LEU 31 N 4.80 1.38 0.32 -0.88 0.05 -0.99 -5.04 118.68 118.33 2jtn s LEU 31 Ca 0.31 -0.86 -0.13 0.00 0.05 0.00 0.00 54.13 53.50 2jtn s LEU 31 Cb -0.11 0.91 -0.08 0.00 -2.05 0.00 0.00 46.19 44.85 2jtn s LEU 31 CO 0.16 -0.79 0.72 -0.70 -0.55 0.00 0.00 176.35 175.19 2jtn s GLU 32 N -3.94 3.93 -0.18 1.48 2.12 -1.26 -2.00 118.70 118.84 2jtn s GLU 32 Ca 0.13 0.57 0.15 0.00 0.36 0.00 0.00 54.97 56.18 2jtn s GLU 32 Cb 0.05 -2.45 -0.24 0.00 0.26 0.00 0.00 34.13 31.75 2jtn s GLU 32 CO -0.04 0.14 0.13 0.09 -0.54 0.00 0.00 175.26 175.04 2jtn n ASN 33 N -0.51 0.40 -2.57 -1.70 4.13 0.85 -4.88 115.26 110.99 2jtn n ASN 33 Ca 0.03 0.05 -0.21 0.00 1.68 0.00 0.00 54.58 56.13 2jtn n ASN 33 Cb 0.53 0.64 0.00 0.00 -1.54 0.00 0.00 39.78 39.42 2jtn n ASN 33 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2jtn n THR 34 N -2.87 -1.31 0.00 3.41 -1.04 -1.26 -4.93 114.28 106.28 2jtn n THR 34 Ca -0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2jtn n THR 34 Cb 1.12 -3.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.50 2jtn n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtn n GLN 35 N -3.32 0.00 0.00 -2.82 6.02 -1.25 -4.90 117.38 111.11 2jtn n GLN 35 Ca -0.20 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2jtn n GLN 35 Cb 0.67 -0.66 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2jtn n GLN 35 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2jtn n PHE 36 N -1.78 0.00 -2.36 1.08 3.72 -1.25 -4.69 117.46 112.19 2jtn n PHE 36 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2jtn n PHE 36 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 2jtn n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2jtn s ASP 37 N -3.57 6.42 -0.30 4.37 1.01 -1.26 -4.83 116.67 118.50 2jtn s ASP 37 Ca 0.00 0.95 -0.11 0.00 0.71 0.00 0.00 52.55 54.10 2jtn s ASP 37 Cb 0.00 -2.54 0.18 0.00 1.01 0.00 0.00 42.92 41.58 2jtn s ASP 37 CO 0.00 -1.34 1.05 0.00 0.21 0.00 0.00 175.17 175.09 2jtn s ALA 38 N 5.17 -4.08 0.00 5.23 0.00 -1.26 -5.12 121.76 121.70 2jtn s ALA 38 Ca 0.61 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2jtn s ALA 38 Cb -0.15 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2jtn s ALA 38 CO 0.30 -2.11 0.00 0.00 0.00 0.00 0.00 175.76 173.95 2jtn n ALA 39 N 5.07 0.00 -1.66 0.00 0.00 -1.26 -4.15 120.51 118.51 2jtn n ALA 39 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 2jtn n ALA 39 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 2jtn n ALA 39 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2jtn s ASN 40 N -4.00 3.85 0.00 0.00 0.02 -1.26 -4.66 114.94 108.88 2jtn s ASN 40 Ca 0.00 -0.60 0.00 0.00 -1.02 0.00 0.00 52.86 51.24 2jtn s ASN 40 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.69 2jtn s ASN 40 CO 0.00 -4.15 0.00 0.61 0.02 0.00 0.00 177.10 173.58 2jtn n GLY 41 N 6.44 -0.38 3.65 0.66 0.00 -1.26 -4.94 105.19 109.37 2jtn n GLY 41 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 2jtn n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtn s ILE 42 N -0.40 4.72 0.21 -0.61 -1.09 -1.26 -4.89 121.20 117.89 2jtn s ILE 42 Ca 0.00 1.74 0.00 0.00 -2.23 0.00 0.00 60.65 60.16 2jtn s ILE 42 Cb 0.00 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 2jtn s ILE 42 CO 0.00 -0.19 0.00 0.47 -1.23 0.00 0.00 174.94 173.99 2jtn n ASP 43 N 6.27 -7.49 -3.89 3.58 9.92 -1.26 -4.80 116.55 118.87 2jtn n ASP 43 Ca 0.09 0.99 -0.28 0.00 -0.53 0.00 0.00 54.79 55.05 2jtn n ASP 43 Cb 0.47 -2.77 -0.16 0.00 -0.64 0.00 0.00 41.12 38.01 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 -5.98 2.91 -1.01 -2.24 1.11 -1.26 -4.95 116.67 105.25 2jtn s ASP 44 Ca 0.00 -0.70 -0.07 0.00 0.18 0.00 0.00 52.55 51.96 2jtn s ASP 44 Cb 0.00 -0.93 0.25 0.00 1.07 0.00 0.00 42.92 43.31 2jtn s ASP 44 CO 0.00 -0.19 0.96 -0.70 1.18 0.00 0.00 175.17 176.43 2jtn s GLU 45 N 1.62 3.83 0.28 8.23 2.56 -1.26 -4.93 118.70 129.02 2jtn s GLU 45 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 54.97 51.80 2jtn s GLU 45 Cb -0.16 -4.34 0.00 0.00 2.00 0.00 0.00 34.13 31.64 2jtn s GLU 45 CO -0.08 -1.25 0.00 0.41 -0.56 0.00 0.00 175.26 173.78 2jtn n GLY 46 N 2.70 -4.86 0.00 -1.50 0.00 -1.26 -5.09 105.19 95.18 2jtn n GLY 46 Ca 0.22 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2jtn n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtn n GLY 47 N 0.69 0.07 3.82 -0.02 0.00 -1.26 -5.05 105.19 103.45 2jtn n GLY 47 Ca 0.00 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2jtn n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jtn s SER 48 N 1.12 6.41 0.00 1.61 1.04 -1.26 -4.83 113.70 117.78 2jtn s SER 48 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2jtn s SER 48 Cb 0.00 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2jtn s SER 48 CO 0.00 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2jtn n GLY 49 N 2.47 0.00 0.00 7.32 0.00 -1.26 -5.15 105.19 108.57 2jtn n GLY 49 Ca -0.17 0.00 0.00 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 0.00 -0.50 0.10 -0.02 0.00 -1.26 -4.99 105.19 98.52 2jtn n GLY 50 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2jtn n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jtn n HIS 51 N 8.40 0.00 -1.55 1.61 8.25 -1.26 -5.00 115.22 125.67 2jtn n HIS 51 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2jtn n HIS 51 Cb 0.00 -0.85 0.12 0.00 1.12 0.00 0.00 29.99 30.38 2jtn n HIS 51 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2jtn s MET 52 N -2.43 1.45 0.29 -0.41 1.00 -1.26 -5.01 119.30 112.93 2jtn s MET 52 Ca -0.22 0.40 0.00 0.00 0.00 0.00 0.00 55.69 55.87 2jtn s MET 52 Cb 0.07 -1.87 0.00 0.00 0.00 0.00 0.00 34.83 33.03 2jtn s MET 52 CO 0.58 -2.00 0.00 0.41 0.00 0.00 0.00 175.02 174.00 2jtn n GLY 53 N -2.19 -0.99 3.04 -0.03 0.00 -1.26 -4.89 105.19 98.87 2jtn n GLY 53 Ca 0.07 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 2jtn n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jtn n SER 54 N -3.25 -6.11 -3.72 1.61 7.64 -1.26 -4.94 113.62 103.60 2jtn n SER 54 Ca 0.00 -0.30 -0.10 0.00 1.01 0.00 0.00 58.87 59.48 2jtn n SER 54 Cb 0.00 -4.90 -0.04 0.00 -1.01 0.00 0.00 64.21 58.26 2jtn n SER 54 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jtn s GLY 55 N -2.77 -0.10 0.00 0.23 0.00 -1.26 -5.13 107.32 98.29 2jtn s GLY 55 Ca 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.83 2jtn s GLY 55 CO 0.40 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.80 2jtn n GLY 56 N -0.30 1.73 3.19 0.20 0.00 -1.26 -5.03 105.19 103.72 2jtn n GLY 56 Ca -0.11 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 4.54 0.95 2.61 2.01 -1.26 -5.08 115.64 119.41 2jtn s THR 57 Ca 0.00 -2.84 -0.12 0.00 0.31 0.00 0.00 61.69 59.05 2jtn s THR 57 Cb 0.00 -3.87 0.16 0.00 0.01 0.00 0.00 72.50 68.80 2jtn s THR 57 CO 0.00 -0.96 1.09 -2.16 -0.69 0.00 0.00 174.62 171.90 2jtn s PRO 58 N -0.08 0.79 -1.66 4.92 0.04 -1.26 -3.58 135.00 134.18 2jtn s PRO 58 Ca 0.18 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2jtn s PRO 58 Cb -0.15 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2jtn s PRO 58 CO -0.06 -2.57 0.00 0.39 0.04 0.00 0.00 177.00 174.79 2jtn n GLU 59 N -4.12 -1.78 -4.04 4.56 1.02 -1.26 -4.97 120.64 110.05 2jtn n GLU 59 Ca 0.07 0.94 -0.35 0.00 -0.02 0.00 0.00 57.16 57.79 2jtn n GLU 59 Cb 0.55 -5.59 -0.08 0.00 -0.02 0.00 0.00 31.44 26.30 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 -2.96 4.95 0.14 -3.67 1.10 -1.23 -5.06 121.20 114.47 2jtn s ILE 60 Ca 0.00 0.01 -0.31 0.00 -0.51 0.00 0.00 60.65 59.84 2jtn s ILE 60 Cb 0.00 -3.17 -0.11 0.00 0.15 0.00 0.00 42.46 39.33 2jtn s ILE 60 CO 0.00 0.55 1.83 -0.81 -2.11 0.00 0.00 174.94 174.40 2jtn n PRO 61 N 2.69 2.82 -3.51 3.50 -0.04 -1.26 -4.94 135.00 134.26 2jtn n PRO 61 Ca -0.18 1.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.98 2jtn n PRO 61 Cb 0.53 -2.92 -0.05 0.00 -0.04 0.00 0.00 33.50 31.03 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 2.52 3.76 0.32 0.54 -1.94 -1.26 -4.19 119.30 119.04 2jtn s MET 62 Ca 0.81 0.17 -0.29 0.00 -1.71 0.00 0.00 55.69 54.67 2jtn s MET 62 Cb -0.48 -2.77 -0.12 0.00 2.01 0.00 0.00 34.83 33.48 2jtn s MET 62 CO 0.36 0.40 1.48 0.00 -0.01 0.00 0.00 175.02 177.26 2jtn s ALA 64 N -0.54 3.14 0.00 0.00 0.00 -1.14 -1.11 121.76 122.11 2jtn s ALA 64 Ca 0.60 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2jtn s ALA 64 Cb -0.53 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 18.64 2jtn s ALA 64 CO 0.56 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 174.53 2jtn n GLY 65 N 5.14 0.55 3.01 0.00 0.00 -1.26 -4.37 105.19 108.27 2jtn n GLY 65 Ca 0.25 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 2jtn n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtn n ASP 67 N -1.69 1.97 -1.19 0.00 9.92 -1.26 -4.77 116.55 119.54 2jtn n ASP 67 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2jtn n ASP 67 Cb 0.56 0.90 0.00 0.00 -0.64 0.00 0.00 41.12 41.94 2jtn n ASP 67 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2jtn n GLN 68 N -2.39 2.08 -4.20 -1.24 7.27 -1.26 -4.93 117.38 112.70 2jtn n GLN 68 Ca -0.18 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.63 2jtn n GLN 68 Cb 0.83 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.41 2jtn n GLN 68 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 2jtn s HIS 69 N 0.99 2.85 0.66 3.69 -3.43 -1.26 -0.56 115.29 118.23 2jtn s HIS 69 Ca 0.00 -0.13 -0.16 0.00 -0.80 0.00 0.00 55.06 53.97 2jtn s HIS 69 Cb 0.00 -1.38 0.00 0.00 -1.43 0.00 0.00 32.58 29.77 2jtn s HIS 69 CO 0.00 0.52 1.15 0.42 -2.00 0.00 0.00 174.74 174.83 2jtn s ILE 70 N -1.72 2.87 -0.07 -5.38 -1.09 -1.26 -4.75 121.20 109.79 2jtn s ILE 70 Ca 0.27 0.44 0.03 0.00 -2.23 0.00 0.00 60.65 59.16 2jtn s ILE 70 Cb -0.09 -3.00 0.08 0.00 -1.58 0.00 0.00 42.46 37.87 2jtn s ILE 70 CO 0.19 -0.22 0.75 0.00 -1.23 0.00 0.00 174.94 174.43 2jtn n LEU 71 N -2.32 -0.66 0.00 2.97 -0.00 -1.26 -5.02 117.00 110.71 2jtn n LEU 71 Ca 0.12 -1.53 -0.24 0.00 -0.00 0.00 0.00 56.01 54.36 2jtn n LEU 71 Cb 0.51 0.18 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 2jtn n LEU 71 CO 0.47 1.19 0.08 0.47 -0.00 0.00 0.00 177.39 179.59 2jtn n ASP 72 N -0.32 2.60 -0.06 1.45 8.00 -1.26 -3.82 116.55 123.13 2jtn n ASP 72 Ca -0.14 -2.73 -0.15 0.00 0.71 0.00 0.00 54.79 52.48 2jtn n ASP 72 Cb 0.58 -0.05 -0.14 0.00 -0.02 0.00 0.00 41.12 41.49 2jtn n ASP 72 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2jtn n ARG 73 N -1.71 0.69 -3.68 -1.24 0.00 -1.26 -3.90 116.66 105.56 2jtn n ARG 73 Ca -0.01 0.18 -0.38 0.00 -0.00 0.00 0.00 57.85 57.64 2jtn n ARG 73 Cb 0.58 -1.63 -0.12 0.00 -0.00 0.00 0.00 32.46 31.29 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 -2.54 3.17 0.08 2.89 0.40 -1.26 -0.10 117.98 120.61 2jtn s PHE 74 Ca -0.20 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.54 2jtn s PHE 74 Cb 0.07 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 2jtn s PHE 74 CO 0.75 -0.47 -0.10 0.42 0.70 0.00 0.00 175.22 176.52 2jtn s ILE 75 N 1.60 0.85 -0.33 0.64 -1.09 -0.85 -4.91 121.20 117.11 2jtn s ILE 75 Ca 0.04 -1.50 -0.03 0.00 -2.23 0.00 0.00 60.65 56.93 2jtn s ILE 75 Cb -0.17 -1.19 0.06 0.00 -1.58 0.00 0.00 42.46 39.58 2jtn s ILE 75 CO 0.06 -0.50 0.07 -0.76 -1.23 0.00 0.00 174.94 172.57 2jtn s LEU 76 N -2.22 4.27 -0.21 2.97 1.02 -1.18 -2.34 118.68 121.00 2jtn s LEU 76 Ca 0.02 -1.40 -0.19 0.00 0.02 0.00 0.00 54.13 52.58 2jtn s LEU 76 Cb -0.05 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 2jtn s LEU 76 CO -0.00 -0.33 0.56 -0.75 0.02 0.00 0.00 176.35 175.85 2jtn s LYS 77 N 1.26 4.18 0.18 1.70 2.20 0.27 0.38 119.74 129.91 2jtn s LYS 77 Ca -0.02 0.48 -0.22 0.00 -0.36 0.00 0.00 55.97 55.85 2jtn s LYS 77 Cb -0.20 -3.58 0.06 0.00 -1.51 0.00 0.00 37.83 32.59 2jtn s LYS 77 CO -0.01 -0.22 0.61 0.00 -0.36 0.00 0.00 175.35 175.37 2jtn s ALA 78 N 1.86 -1.46 -1.50 3.13 0.00 0.24 0.42 121.76 124.45 2jtn s ALA 78 Ca 0.25 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 2jtn s ALA 78 Cb -0.16 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.86 2jtn s ALA 78 CO 0.10 -0.82 0.62 1.28 0.00 0.00 0.00 175.76 176.93 2jtn n LEU 79 N -0.39 -2.51 -3.21 0.00 4.77 -1.26 -1.67 117.00 112.73 2jtn n LEU 79 Ca -0.14 -0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 55.31 2jtn n LEU 79 Cb 0.64 -2.82 0.07 0.00 -2.33 0.00 0.00 43.42 38.97 2jtn n LEU 79 CO 0.13 0.24 0.21 0.47 -1.33 0.00 0.00 177.39 177.11 2jtn n ASP 80 N -2.51 -5.57 -3.63 -1.43 9.92 -1.26 -4.97 116.55 107.10 2jtn n ASP 80 Ca -0.09 -0.48 0.02 0.00 -0.53 0.00 0.00 54.79 53.71 2jtn n ASP 80 Cb 0.60 -4.49 -0.00 0.00 -0.64 0.00 0.00 41.12 36.60 2jtn n ASP 80 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2jtn s ARG 81 N -6.08 0.33 -0.30 -1.24 3.52 -0.67 -5.13 118.95 109.37 2jtn s ARG 81 Ca 0.48 -0.19 -0.18 0.00 -0.13 0.00 0.00 55.73 55.72 2jtn s ARG 81 Cb -0.21 0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.27 2jtn s ARG 81 CO 0.64 -0.15 0.50 -3.38 -0.81 0.00 0.00 175.30 172.10 2jtn s HIS 82 N -2.30 3.23 -0.19 5.12 -3.43 -1.26 0.83 115.29 117.28 2jtn s HIS 82 Ca 0.16 0.43 -0.04 0.00 -0.80 0.00 0.00 55.06 54.81 2jtn s HIS 82 Cb 0.05 -2.79 -0.02 0.00 -1.43 0.00 0.00 32.58 28.38 2jtn s HIS 82 CO -0.04 -0.38 -0.03 -1.58 -2.00 0.00 0.00 174.74 170.71 2jtn s TRP 83 N 2.33 3.00 1.23 0.38 0.52 0.16 -2.87 118.94 123.68 2jtn s TRP 83 Ca 0.20 -0.52 -0.18 0.00 0.02 0.00 0.00 56.10 55.61 2jtn s TRP 83 Cb -0.16 -2.04 0.26 0.00 -1.15 0.00 0.00 33.47 30.39 2jtn s TRP 83 CO 0.11 -0.25 0.58 0.72 0.02 0.00 0.00 176.95 178.13 2jtn n HIS 84 N 4.13 -2.63 0.11 -1.98 8.25 -1.26 -3.10 115.22 118.73 2jtn n HIS 84 Ca -0.17 -0.32 -0.23 0.00 -0.26 0.00 0.00 57.72 56.74 2jtn n HIS 84 Cb 0.52 -1.43 -0.15 0.00 1.12 0.00 0.00 29.99 30.04 2jtn n HIS 84 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jtn h SER 85 N -2.98 0.69 0.69 0.41 0.87 -1.93 -3.29 113.55 108.00 2jtn h SER 85 Ca -0.40 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.23 2jtn h SER 85 Cb 1.14 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2jtn h SER 85 CO 0.27 1.58 -0.87 0.29 -0.53 0.00 0.00 176.83 177.57 2jtn n LYS 86 N -3.90 0.34 -0.93 2.24 4.76 -1.26 -3.94 118.16 115.47 2jtn n LYS 86 Ca -0.16 0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.23 2jtn n LYS 86 Cb 0.98 -1.66 0.22 0.00 -1.84 0.00 0.00 35.03 32.73 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 -0.34 2.34 -4.89 0.00 7.94 -1.24 -4.49 117.00 116.32 2jtn n LEU 88 Ca 0.40 -3.48 -0.30 0.00 -1.11 0.00 0.00 56.01 51.51 2jtn n LEU 88 Cb 1.32 -0.42 -0.04 0.00 0.53 0.00 0.00 43.42 44.81 2jtn n LEU 88 CO 0.42 1.20 0.21 -0.54 -1.11 0.00 0.00 177.39 177.57 2jtn s LYS 89 N -2.57 3.72 0.54 1.96 3.01 -1.26 -4.08 119.74 121.06 2jtn s LYS 89 Ca 0.37 0.15 -0.21 0.00 -1.01 0.00 0.00 55.97 55.26 2jtn s LYS 89 Cb 0.37 -2.64 -0.05 0.00 -1.01 0.00 0.00 37.83 34.49 2jtn s LYS 89 CO -0.09 0.26 1.29 0.00 0.51 0.00 0.00 175.35 177.33 2jtn h SER 91 N 1.46 0.00 0.00 0.00 0.02 -1.98 -1.04 113.55 112.01 2jtn h SER 91 Ca -0.50 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 2jtn h SER 91 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 2jtn h SER 91 CO 0.57 0.32 -0.92 -0.67 -1.14 0.00 0.00 176.83 174.99 2jtn n ASP 92 N -4.11 1.64 -0.23 3.07 2.03 -1.26 -4.65 116.55 113.04 2jtn n ASP 92 Ca -0.02 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2jtn n ASP 92 Cb 0.36 -0.61 0.24 0.00 -0.72 0.00 0.00 41.12 40.39 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 -4.42 -0.36 -2.85 0.00 -0.00 -0.40 -4.89 115.22 102.30 2jtn n HIS 94 Ca 0.09 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.97 2jtn n HIS 94 Cb 0.03 -3.37 -0.02 0.00 -0.12 0.00 0.00 29.99 26.51 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 -2.69 4.84 -0.17 3.57 -7.23 -1.26 -4.71 120.40 112.75 2jtn s VAL 95 Ca 0.00 0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 60.35 2jtn s VAL 95 Cb 0.00 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 2jtn s VAL 95 CO 0.00 -0.57 1.38 -2.16 -0.31 0.00 0.00 175.10 173.43 2jtn s PRO 96 N -4.02 4.14 -1.04 4.82 0.04 -1.26 -3.59 135.00 134.10 2jtn s PRO 96 Ca 0.50 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 2jtn s PRO 96 Cb -0.10 -3.85 0.30 0.00 0.04 0.00 0.00 34.50 30.89 2jtn s PRO 96 CO 0.34 -0.84 1.40 1.28 0.04 0.00 0.00 177.00 179.22 2jtn n LEU 97 N 7.00 6.15 -2.17 -3.56 4.32 -1.26 -4.80 117.00 122.67 2jtn n LEU 97 Ca 0.15 -5.23 -0.27 0.00 -0.02 0.00 0.00 56.01 50.65 2jtn n LEU 97 Cb 0.45 -1.23 0.11 0.00 -1.62 0.00 0.00 43.42 41.13 2jtn n LEU 97 CO 0.59 1.71 1.31 0.00 -1.22 0.00 0.00 177.39 179.78 2jtn n ALA 98 N 1.35 5.71 0.00 -1.18 0.00 -1.26 -4.37 120.51 120.76 2jtn n ALA 98 Ca 0.26 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.84 2jtn n ALA 98 Cb 0.34 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.81 0.00 -3.77 0.00 -0.58 -1.26 -5.15 120.64 109.06 2jtn n GLU 99 Ca 0.55 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 57.19 2jtn n GLU 99 Cb 1.08 -0.03 -0.07 0.00 -0.57 0.00 0.00 31.44 31.86 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 -1.85 0.87 -0.25 3.49 0.52 -1.26 -4.57 118.95 115.89 2jtn s ARG 100 Ca 0.00 -0.72 -0.13 0.00 -0.52 0.00 0.00 55.73 54.37 2jtn s ARG 100 Cb 0.00 0.37 0.08 0.00 0.52 0.00 0.00 34.95 35.92 2jtn s ARG 100 CO 0.00 -0.29 0.59 0.00 0.02 0.00 0.00 175.30 175.62 2jtn s PHE 102 N 1.80 2.50 -0.20 0.00 0.40 0.28 -4.19 117.98 118.57 2jtn s PHE 102 Ca -0.09 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.66 2jtn s PHE 102 Cb -0.07 -2.44 0.05 0.00 0.51 0.00 0.00 43.02 41.07 2jtn s PHE 102 CO -0.17 -0.70 0.56 0.45 0.70 0.00 0.00 175.22 176.06 2jtn s SER 103 N -4.44 -0.58 -0.21 1.36 0.15 -1.24 -2.02 113.70 106.72 2jtn s SER 103 Ca 0.57 1.10 -0.09 0.00 0.70 0.00 0.00 55.95 58.24 2jtn s SER 103 Cb -0.09 1.12 0.08 0.00 -1.71 0.00 0.00 66.02 65.42 2jtn s SER 103 CO 0.36 -0.21 0.47 -0.13 1.20 0.00 0.00 173.24 174.93 2jtn s ARG 104 N 0.23 0.41 7.76 5.44 0.52 -0.99 -4.90 118.95 127.42 2jtn s ARG 104 Ca -0.01 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.23 2jtn s ARG 104 Cb -0.04 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.70 2jtn s ARG 104 CO 0.01 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.53 2jtn n GLY 105 N 4.95 3.14 1.75 -3.53 0.00 -1.26 -2.68 105.19 107.57 2jtn n GLY 105 Ca -0.14 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 13.17 2.72 -3.97 1.61 1.02 -1.26 -5.00 120.64 128.92 2jtn n GLU 106 Ca 0.00 -3.61 -0.10 0.00 -0.02 0.00 0.00 57.16 53.44 2jtn n GLU 106 Cb 0.00 -2.10 -0.07 0.00 -0.02 0.00 0.00 31.44 29.25 2jtn n GLU 106 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jtn s SER 107 N -2.82 0.05 -0.23 1.62 0.15 -1.09 -5.15 113.70 106.22 2jtn s SER 107 Ca 0.51 -0.90 -0.00 0.00 0.70 0.00 0.00 55.95 56.26 2jtn s SER 107 Cb 0.43 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 65.20 2jtn s SER 107 CO 0.01 -0.89 -0.11 0.54 1.20 0.00 0.00 173.24 173.99 2jtn s VAL 108 N -3.98 2.57 0.26 4.45 0.11 -1.26 -2.35 120.40 120.21 2jtn s VAL 108 Ca 0.18 -1.06 0.11 0.00 -2.93 0.00 0.00 61.98 58.27 2jtn s VAL 108 Cb 0.03 -2.27 -0.05 0.00 -1.53 0.00 0.00 36.38 32.57 2jtn s VAL 108 CO 0.01 0.27 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.64 2jtn s TYR 109 N 1.29 2.52 0.54 1.54 1.51 -0.86 -3.95 117.35 119.94 2jtn s TYR 109 Ca 0.00 -0.27 0.09 0.00 -1.01 0.00 0.00 57.07 55.88 2jtn s TYR 109 Cb -0.16 -1.12 0.07 0.00 -0.11 0.00 0.00 41.96 40.64 2jtn s TYR 109 CO -0.07 0.65 0.71 0.00 -1.11 0.00 0.00 175.55 175.73 2jtn h LYS 111 N 0.33 0.00 0.53 0.00 1.57 -1.94 -2.99 116.57 114.07 2jtn h LYS 111 Ca -0.32 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 2jtn h LYS 111 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2jtn h LYS 111 CO 0.43 0.86 -0.42 0.22 -0.57 0.00 0.00 179.45 179.97 2jtn h ASP 112 N 0.00 -1.09 1.08 0.86 3.58 -1.98 -2.40 116.42 116.46 2jtn h ASP 112 Ca -0.01 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2jtn h ASP 112 Cb 1.57 0.35 -0.00 0.00 1.72 0.00 0.00 39.33 42.96 2jtn h ASP 112 CO 0.11 -0.60 -0.05 -2.24 -2.88 0.00 0.00 179.24 173.58 2jtn h ASP 113 N -0.93 0.00 0.27 2.28 3.04 -1.99 -2.92 116.42 116.17 2jtn h ASP 113 Ca -0.06 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.67 2jtn h ASP 113 Cb 0.79 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.07 2jtn h ASP 113 CO 0.00 0.05 -0.28 0.15 -2.04 0.00 0.00 179.24 177.12 2jtn h PHE 114 N 0.00 0.01 0.11 4.15 3.04 -1.28 0.98 116.94 123.96 2jtn h PHE 114 Ca -0.00 -0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 2jtn h PHE 114 Cb 0.60 -0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.13 2jtn h PHE 114 CO 0.00 0.29 -0.77 0.74 -2.02 0.00 0.00 178.31 176.55 2jtn h PHE 115 N 0.01 0.56 0.17 0.41 0.04 -1.27 -0.18 116.94 116.68 2jtn h PHE 115 Ca -0.00 -0.39 -0.27 0.00 2.80 0.00 0.00 57.97 60.11 2jtn h PHE 115 Cb 0.50 -0.03 0.03 0.00 2.20 0.00 0.00 35.95 38.65 2jtn h PHE 115 CO 0.00 1.28 -1.16 -0.22 -0.60 0.00 0.00 178.31 177.61 2jtn h LYS 116 N -0.31 0.48 0.00 1.51 3.64 -1.56 -2.37 116.57 117.96 2jtn h LYS 116 Ca -0.13 -0.74 -0.03 0.00 -1.27 0.00 0.00 60.65 58.48 2jtn h LYS 116 Cb 1.58 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 33.66 2jtn h LYS 116 CO 0.15 1.35 -0.25 0.00 -2.27 0.00 0.00 179.45 178.42 2jtn h ARG 117 N -0.01 0.00 -1.11 1.90 2.47 0.85 -3.37 114.38 115.11 2jtn h ARG 117 Ca -0.19 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 57.99 2jtn h ARG 117 Cb 1.89 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.96 2jtn h ARG 117 CO 0.22 0.43 0.69 1.19 0.56 0.00 0.00 179.97 183.06 2jtn n PHE 118 N -4.66 2.71 -2.92 3.04 3.01 -0.12 -4.93 117.46 113.60 2jtn n PHE 118 Ca -0.08 -2.42 0.00 0.00 1.01 0.00 0.00 57.45 55.96 2jtn n PHE 118 Cb 0.28 -1.18 0.00 0.00 -0.01 0.00 0.00 39.48 38.57 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 -0.66 2.63 3.72 1.37 0.00 -0.90 -4.65 105.19 106.71 2jtn n GLY 119 Ca 0.53 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 4.92 -3.96 2.61 -1.04 -1.17 -4.75 114.28 110.89 2jtn n THR 120 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.41 2jtn n THR 120 Cb 0.00 -1.48 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 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 -3.36 1.90 -0.04 -2.82 2.20 -1.26 -4.48 119.74 111.87 2jtn s LYS 121 Ca 0.83 -1.46 -0.22 0.00 -0.36 0.00 0.00 55.97 54.76 2jtn s LYS 121 Cb -0.38 0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 2jtn s LYS 121 CO 0.40 -0.83 0.64 0.00 -0.36 0.00 0.00 175.35 175.20 2jtn n ALA 123 N 3.31 4.96 0.04 0.00 0.00 -1.17 -2.87 120.51 124.79 2jtn n ALA 123 Ca -0.04 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 50.96 2jtn n ALA 123 Cb 0.51 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.61 3.00 0.11 0.00 0.00 -1.26 -4.90 120.51 116.85 2jtn n ALA 124 Ca 0.48 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.96 2jtn n ALA 124 Cb 1.47 0.27 -0.07 0.00 0.00 0.00 0.00 19.45 21.12 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 -1.68 -1.16 -0.75 0.00 6.02 -1.14 -5.07 117.38 113.60 2jtn n GLN 126 Ca -0.01 1.33 0.00 0.00 -0.01 0.00 0.00 57.00 58.32 2jtn n GLN 126 Cb 0.22 -4.37 0.00 0.00 1.02 0.00 0.00 30.24 27.11 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 -1.10 0.00 -4.14 1.08 7.94 -1.26 -4.96 117.00 114.57 2jtn n LEU 127 Ca 0.03 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.56 2jtn n LEU 127 Cb 0.43 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.28 2jtn n LEU 127 CO 0.35 0.00 -0.06 -0.83 -1.11 0.00 0.00 177.39 175.73 2jtn s GLY 128 N -0.38 2.17 -0.04 -3.96 0.00 -1.26 -4.10 107.32 99.76 2jtn s GLY 128 Ca 0.00 -2.77 -0.28 0.00 0.00 0.00 0.00 44.72 41.67 2jtn s GLY 128 CO 0.00 1.07 0.90 -0.42 0.00 0.00 0.00 173.10 174.65 2jtn s ILE 129 N 0.81 4.91 1.03 0.90 1.01 -1.26 -5.04 121.20 123.56 2jtn s ILE 129 Ca 0.11 1.87 -0.17 0.00 0.00 0.00 0.00 60.65 62.45 2jtn s ILE 129 Cb -0.22 -4.23 0.07 0.00 0.01 0.00 0.00 42.46 38.09 2jtn s ILE 129 CO -0.03 0.17 -0.15 -2.65 0.00 0.00 0.00 174.94 172.28 2jtn n PRO 130 N 4.02 -1.53 -0.02 2.79 -0.02 -1.26 -4.89 135.00 134.09 2jtn n PRO 130 Ca 0.04 -0.44 -0.16 0.00 -2.02 0.00 0.00 63.50 60.92 2jtn n PRO 130 Cb 0.51 -1.45 -0.12 0.00 -0.02 0.00 0.00 33.50 32.41 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 -2.13 0.16 0.00 0.52 0.13 -1.99 -3.40 132.00 125.29 2jtn h PRO 131 Ca -0.37 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 2jtn h PRO 131 Cb 1.07 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2jtn h PRO 131 CO 0.24 1.00 -0.25 2.41 -0.23 0.00 0.00 178.00 181.17 2jtn n THR 132 N -4.46 1.34 -0.06 1.56 -1.04 -1.26 0.56 114.28 110.93 2jtn n THR 132 Ca -0.11 -1.75 -0.04 0.00 -2.04 0.00 0.00 64.05 60.11 2jtn n THR 132 Cb 0.56 0.02 0.04 0.00 -1.82 0.00 0.00 70.33 69.13 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 -0.92 -1.66 -4.04 -2.82 10.64 -1.26 -4.77 117.38 112.55 2jtn n GLN 133 Ca 0.12 -0.21 -0.32 0.00 -1.83 0.00 0.00 57.00 54.76 2jtn n GLN 133 Cb 0.69 -0.31 -0.15 0.00 -0.86 0.00 0.00 30.24 29.61 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 -1.03 2.07 0.07 -0.39 1.01 -1.26 -3.62 120.40 117.25 2jtn s VAL 134 Ca 0.10 -1.68 -0.23 0.00 0.00 0.00 0.00 61.98 60.16 2jtn s VAL 134 Cb -0.02 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.16 2jtn s VAL 134 CO 0.08 -0.14 0.55 0.54 0.00 0.00 0.00 175.10 176.13 2jtn s VAL 135 N 1.12 0.02 -0.07 2.92 0.11 -1.26 -4.77 120.40 118.47 2jtn s VAL 135 Ca -0.05 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 2jtn s VAL 135 Cb -0.20 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 2jtn s VAL 135 CO -0.06 -0.10 0.27 0.00 -3.33 0.00 0.00 175.10 171.88 2jtn s ARG 136 N -2.77 3.72 -0.18 1.54 3.03 -1.26 0.16 118.95 123.19 2jtn s ARG 136 Ca -0.04 0.13 -0.07 0.00 2.03 0.00 0.00 55.73 57.79 2jtn s ARG 136 Cb -0.00 -3.22 -0.04 0.00 -1.03 0.00 0.00 34.95 30.66 2jtn s ARG 136 CO -0.04 0.70 0.04 1.03 -1.13 0.00 0.00 175.30 175.90 2jtn s ARG 137 N -0.94 3.90 -0.66 3.89 0.52 -1.26 -3.43 118.95 120.98 2jtn s ARG 137 Ca 0.19 -0.38 -0.26 0.00 -0.52 0.00 0.00 55.73 54.76 2jtn s ARG 137 Cb -0.14 -3.16 -0.07 0.00 0.52 0.00 0.00 34.95 32.10 2jtn s ARG 137 CO 0.08 0.24 2.18 0.00 0.02 0.00 0.00 175.30 177.83 2jtn s ALA 138 N 0.43 1.58 0.00 2.13 0.00 0.38 -4.68 121.76 121.60 2jtn s ALA 138 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2jtn s ALA 138 Cb -0.13 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2jtn s ALA 138 CO 0.01 -4.68 0.00 1.04 0.00 0.00 0.00 175.76 172.13 2jtn n GLN 139 N 9.00 0.00 -0.00 0.00 3.00 -1.26 -0.53 117.38 127.58 2jtn n GLN 139 Ca 0.35 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.12 2jtn n GLN 139 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.61 2jtn n GLN 139 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2jtn h ASP 140 N 0.00 0.38 -1.77 1.08 5.19 -2.04 -3.48 116.42 115.77 2jtn h ASP 140 Ca 0.00 -0.87 -0.44 0.00 -0.62 0.00 0.00 57.03 55.10 2jtn h ASP 140 Cb 0.00 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.40 2jtn h ASP 140 CO 0.00 1.76 -0.31 -0.36 -3.12 0.00 0.00 179.24 177.21 2jtn s PHE 141 N -2.52 3.05 0.03 4.55 0.40 0.30 -5.11 117.98 118.69 2jtn s PHE 141 Ca -0.22 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 2jtn s PHE 141 Cb 0.06 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 2jtn s PHE 141 CO 0.75 -0.13 0.07 0.54 0.70 0.00 0.00 175.22 177.16 2jtn s VAL 142 N -2.24 4.59 0.01 -0.44 0.11 -1.26 0.14 120.40 121.31 2jtn s VAL 142 Ca 0.48 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.97 2jtn s VAL 142 Cb -0.10 -3.15 -0.01 0.00 -1.53 0.00 0.00 36.38 31.60 2jtn s VAL 142 CO 0.32 0.25 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.93 2jtn s TYR 143 N -1.27 0.90 0.42 1.54 1.51 -1.22 -3.04 117.35 116.19 2jtn s TYR 143 Ca 0.26 -0.24 -0.24 0.00 -1.01 0.00 0.00 57.07 55.83 2jtn s TYR 143 Cb -0.12 -0.56 -0.08 0.00 -0.11 0.00 0.00 41.96 41.09 2jtn s TYR 143 CO 0.17 -0.01 1.16 -1.01 -1.11 0.00 0.00 175.55 174.76 2jtn s HIS 144 N -0.51 3.00 0.08 2.71 3.76 -1.26 -4.48 115.29 118.59 2jtn s HIS 144 Ca 0.01 1.55 0.32 0.00 -0.15 0.00 0.00 55.06 56.80 2jtn s HIS 144 Cb -0.05 -3.38 1.56 0.00 1.11 0.00 0.00 32.58 31.82 2jtn s HIS 144 CO 0.00 -1.36 1.97 -0.07 -0.85 0.00 0.00 174.74 174.43 2jtn h LEU 145 N 2.40 0.00 0.05 0.89 4.07 -1.92 0.97 115.31 121.78 2jtn h LEU 145 Ca -0.49 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.21 2jtn h LEU 145 Cb 1.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 2jtn h LEU 145 CO 0.62 0.00 -1.38 0.45 -1.08 0.00 0.00 178.44 177.05 2jtn h HIS 146 N 0.00 0.20 0.07 1.13 3.86 -2.02 -3.40 115.15 115.00 2jtn h HIS 146 Ca 0.00 -0.15 -0.29 0.00 -1.16 0.00 0.00 60.37 58.77 2jtn h HIS 146 Cb 0.22 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 2jtn h HIS 146 CO 0.00 1.54 -1.48 0.00 0.86 0.00 0.00 177.93 178.85 2jtn n PHE 148 N -3.36 1.30 -3.72 0.00 7.35 0.33 -4.83 117.46 114.53 2jtn n PHE 148 Ca -0.14 0.16 -0.08 0.00 -0.76 0.00 0.00 57.45 56.63 2jtn n PHE 148 Cb 1.03 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 38.26 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 15.18 -0.82 -1.98 3.13 0.00 -1.26 -4.00 120.51 130.77 2jtn n ALA 149 Ca 0.41 -1.02 -0.33 0.00 0.00 0.00 0.00 53.44 52.50 2jtn n ALA 149 Cb 0.47 0.82 -0.07 0.00 0.00 0.00 0.00 19.45 20.68 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 1.93 1.37 0.00 0.00 -1.51 -1.64 -1.42 116.25 114.98 2jtn h VAL 151 Ca -0.48 -1.78 -0.26 0.00 -1.23 0.00 0.00 66.70 62.94 2jtn h VAL 151 Cb 1.18 1.94 -0.04 0.00 -2.13 0.00 0.00 31.29 32.24 2jtn h VAL 151 CO 0.63 0.51 -1.81 0.52 -1.23 0.00 0.00 177.57 176.19 2jtn n VAL 152 N -3.93 1.06 0.22 7.19 0.31 -1.26 -4.59 118.33 117.33 2jtn n VAL 152 Ca -0.02 -0.18 0.06 0.00 -0.01 0.00 0.00 64.34 64.20 2jtn n VAL 152 Cb 0.54 -1.80 0.50 0.00 -0.91 0.00 0.00 33.84 32.17 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 -5.97 -4.65 0.00 5.02 -0.53 -4.87 118.16 103.18 2jtn n LYS 154 Ca -0.02 0.66 -0.23 0.00 -2.02 0.00 0.00 58.31 56.70 2jtn n LYS 154 Cb 0.32 -5.58 -0.15 0.00 -0.02 0.00 0.00 35.03 29.60 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 -6.50 1.23 1.06 1.97 3.52 -1.26 -4.73 118.95 114.24 2jtn s ARG 155 Ca 0.63 -0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 2jtn s ARG 155 Cb -0.31 -1.22 0.23 0.00 -1.56 0.00 0.00 34.95 32.09 2jtn s ARG 155 CO 0.78 0.32 1.07 -0.65 -0.81 0.00 0.00 175.30 176.01 2jtn s GLN 156 N -0.64 -0.14 0.41 5.12 -0.21 -1.26 -2.01 119.66 120.94 2jtn s GLN 156 Ca 0.05 1.04 0.05 0.00 0.02 0.00 0.00 55.36 56.52 2jtn s GLN 156 Cb -0.07 -1.63 -0.06 0.00 1.00 0.00 0.00 33.01 32.25 2jtn s GLN 156 CO 0.00 -3.26 0.03 -0.51 -2.12 0.00 0.00 175.29 169.43 2jtn s LEU 157 N -6.94 2.55 0.15 2.90 2.01 -1.26 -4.88 118.68 113.21 2jtn s LEU 157 Ca 0.67 -1.45 -0.07 0.00 0.01 0.00 0.00 54.13 53.29 2jtn s LEU 157 Cb -0.24 -0.70 -0.01 0.00 0.01 0.00 0.00 46.19 45.25 2jtn s LEU 157 CO 0.62 -0.60 0.23 0.00 1.01 0.00 0.00 176.35 177.61 2jtn s ALA 158 N -2.90 0.13 0.03 4.21 0.00 -1.26 -5.07 121.76 116.89 2jtn s ALA 158 Ca 0.29 -0.96 -0.38 0.00 0.00 0.00 0.00 51.96 50.91 2jtn s ALA 158 Cb 0.08 0.81 -0.17 0.00 0.00 0.00 0.00 23.12 23.84 2jtn s ALA 158 CO 0.14 -0.60 1.36 -2.37 0.00 0.00 0.00 175.76 174.29 2jtn n THR 159 N -0.17 0.03 0.00 0.00 5.66 -1.24 -0.93 114.28 117.63 2jtn n THR 159 Ca -0.08 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2jtn n THR 159 Cb 0.63 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.64 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 2.61 2.83 3.71 1.09 0.00 0.29 -4.90 105.19 110.81 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 0.17 6.68 -0.31 1.61 1.01 -0.11 -4.70 116.67 121.04 2jtn s ASP 161 Ca 0.00 2.47 -0.20 0.00 0.71 0.00 0.00 52.55 55.53 2jtn s ASP 161 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 2jtn s ASP 161 CO 0.00 -0.77 0.62 -1.61 0.21 0.00 0.00 175.17 173.62 2jtn s GLU 162 N 1.45 3.89 0.24 8.23 2.02 -1.26 0.10 118.70 133.37 2jtn s GLU 162 Ca 0.68 0.28 0.02 0.00 0.02 0.00 0.00 54.97 55.97 2jtn s GLU 162 Cb -0.40 -3.73 -0.05 0.00 0.10 0.00 0.00 34.13 30.05 2jtn s GLU 162 CO 0.31 -0.57 0.06 -0.59 0.02 0.00 0.00 175.26 174.49 2jtn s PHE 163 N 2.60 1.50 0.43 1.61 -0.71 -0.97 -4.46 117.98 117.97 2jtn s PHE 163 Ca 0.25 -1.10 0.07 0.00 -1.04 0.00 0.00 56.93 55.10 2jtn s PHE 163 Cb -0.15 -0.88 -0.05 0.00 -1.21 0.00 0.00 43.02 40.73 2jtn s PHE 163 CO 0.12 -0.25 0.16 0.71 -1.34 0.00 0.00 175.22 174.62 2jtn s TYR 164 N -3.67 2.49 -0.10 3.49 2.02 0.29 -2.60 117.35 119.28 2jtn s TYR 164 Ca 0.34 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2jtn s TYR 164 Cb 0.07 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.74 2jtn s TYR 164 CO 0.11 0.18 -0.09 -1.17 -1.57 0.00 0.00 175.55 173.01 2jtn s LEU 165 N -3.90 1.30 0.73 -1.29 2.96 -1.26 -2.77 118.68 114.44 2jtn s LEU 165 Ca 0.38 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 2jtn s LEU 165 Cb 0.04 -0.81 0.06 0.00 0.50 0.00 0.00 46.19 45.98 2jtn s LEU 165 CO 0.21 -0.08 1.06 -0.04 -1.32 0.00 0.00 176.35 176.19 2jtn s MET 166 N 1.39 2.28 0.54 1.98 -1.94 -0.10 -4.88 119.30 118.58 2jtn s MET 166 Ca -0.01 -0.02 0.21 0.00 -1.71 0.00 0.00 55.69 54.15 2jtn s MET 166 Cb -0.13 -2.09 1.45 0.00 2.01 0.00 0.00 34.83 36.06 2jtn s MET 166 CO -0.05 -1.27 2.18 0.93 -0.01 0.00 0.00 175.02 176.80 2jtn h GLU 167 N -0.70 0.00 -0.93 2.03 4.39 -1.98 -0.69 114.58 116.69 2jtn h GLU 167 Ca -0.45 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 58.88 2jtn h GLU 167 Cb 1.31 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.74 2jtn h GLU 167 CO 0.63 0.00 0.47 -0.25 -1.16 0.00 0.00 179.01 178.69 2jtn n ASP 168 N -4.31 3.93 -3.53 1.42 8.00 -1.26 -4.88 116.55 115.91 2jtn n ASP 168 Ca -0.02 -3.29 -0.25 0.00 0.71 0.00 0.00 54.79 51.93 2jtn n ASP 168 Cb 0.11 -0.77 0.05 0.00 -0.02 0.00 0.00 41.12 40.49 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 -0.66 -5.74 -4.85 -2.24 7.64 -0.27 -4.97 113.62 102.54 2jtn n SER 169 Ca 0.47 -0.53 -0.37 0.00 1.01 0.00 0.00 58.87 59.45 2jtn n SER 169 Cb 1.44 -4.57 -0.06 0.00 -1.01 0.00 0.00 64.21 60.02 2jtn n SER 169 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2jtn s ARG 170 N -6.24 3.80 -0.18 1.43 6.06 -1.25 -4.82 118.95 117.77 2jtn s ARG 170 Ca 0.53 0.26 -0.20 0.00 -2.50 0.00 0.00 55.73 53.83 2jtn s ARG 170 Cb -0.25 -3.14 -0.03 0.00 0.06 0.00 0.00 34.95 31.59 2jtn s ARG 170 CO 0.66 0.66 0.57 -0.51 -2.50 0.00 0.00 175.30 174.18 2jtn s LEU 171 N -1.35 4.18 -0.09 -0.88 1.43 -1.26 -0.92 118.68 119.79 2jtn s LEU 171 Ca 0.26 0.79 -0.04 0.00 -1.03 0.00 0.00 54.13 54.11 2jtn s LEU 171 Cb -0.15 -2.81 0.04 0.00 0.03 0.00 0.00 46.19 43.30 2jtn s LEU 171 CO 0.14 -0.19 0.20 0.54 0.23 0.00 0.00 176.35 177.27 2jtn s VAL 172 N 1.55 -0.04 0.32 -1.59 0.11 -1.11 -1.47 120.40 118.16 2jtn s VAL 172 Ca 0.27 0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 59.44 2jtn s VAL 172 Cb -0.16 -0.31 0.07 0.00 -1.53 0.00 0.00 36.38 34.45 2jtn s VAL 172 CO 0.11 0.07 0.44 0.00 -3.33 0.00 0.00 175.10 172.38 2jtn h LYS 174 N 0.00 -1.02 -0.10 0.00 6.56 -1.96 0.48 116.57 120.53 2jtn h LYS 174 Ca -0.14 0.07 0.03 0.00 -1.06 0.00 0.00 60.65 59.55 2jtn h LYS 174 Cb 0.42 0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 32.31 2jtn h LYS 174 CO 0.11 -0.68 0.17 0.00 -2.06 0.00 0.00 179.45 176.99 2jtn h ALA 175 N -1.39 1.55 0.00 3.86 0.00 -1.97 0.74 119.26 122.05 2jtn h ALA 175 Ca -0.11 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2jtn h ALA 175 Cb 0.81 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2jtn h ALA 175 CO 0.18 -0.22 -1.23 -0.44 0.00 0.00 0.00 179.25 177.53 2jtn h ASP 176 N 0.00 0.00 0.19 0.00 3.32 -1.86 -3.35 116.42 114.71 2jtn h ASP 176 Ca 0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2jtn h ASP 176 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2jtn h ASP 176 CO -0.00 0.34 -0.21 0.22 -1.72 0.00 0.00 179.24 177.87 2jtn h TYR 177 N 0.00 -0.57 -0.27 4.55 3.20 0.25 0.83 116.97 124.95 2jtn h TYR 177 Ca -0.09 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.86 2jtn h TYR 177 Cb 1.34 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.83 2jtn h TYR 177 CO 0.00 -0.27 0.28 0.93 -1.64 0.00 0.00 178.16 177.46 2jtn h GLU 178 N -0.40 0.00 0.00 1.82 4.39 -1.76 1.00 114.58 119.63 2jtn h GLU 178 Ca -0.02 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 2jtn h GLU 178 Cb 0.35 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2jtn h GLU 178 CO -0.04 0.00 -0.92 1.15 -1.16 0.00 0.00 179.01 178.04 2jtn h THR 179 N 0.00 1.18 0.00 1.13 2.02 -1.50 -3.31 112.91 112.44 2jtn h THR 179 Ca 0.13 -2.75 -0.02 0.00 0.77 0.00 0.00 66.41 64.54 2jtn h THR 179 Cb 0.69 2.56 -0.00 0.00 -1.74 0.00 0.00 68.15 69.66 2jtn h THR 179 CO -0.00 0.68 -1.65 0.00 0.37 0.00 0.00 175.52 174.92 2jtn n ALA 180 N -2.33 2.61 -1.27 6.16 0.00 0.28 -5.08 120.51 120.88 2jtn n ALA 180 Ca -0.02 -0.46 0.15 0.00 0.00 0.00 0.00 53.44 53.12 2jtn n ALA 180 Cb 0.86 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 2jtn n ALA 180 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jtn n LYS 181 N -2.45 -2.27 0.00 0.00 4.01 0.32 -5.06 118.16 112.71 2jtn n LYS 181 Ca -0.04 1.50 0.00 0.00 -0.51 0.00 0.00 58.31 59.25 2jtn n LYS 181 Cb 0.60 -2.77 0.00 0.00 -0.51 0.00 0.00 35.03 32.35 2jtn n LYS 181 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23