#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm9 s GLU 2 N 0.00 0.17 -0.14 0.03 -1.05 -1.26 -5.18 118.70 111.28 1tm9 s GLU 2 Ca 0.00 0.22 -0.18 0.00 -0.15 0.00 0.00 54.97 54.86 1tm9 s GLU 2 Cb 0.00 0.08 0.05 0.00 -0.44 0.00 0.00 34.13 33.81 1tm9 s GLU 2 CO 0.00 -0.02 0.49 -1.14 0.95 0.00 0.00 175.26 175.53 1tm9 s GLN 3 N 0.28 0.65 0.00 -4.83 2.00 -1.26 -5.10 119.66 111.40 1tm9 s GLN 3 Ca 0.03 0.49 0.00 0.00 -2.00 0.00 0.00 55.36 53.89 1tm9 s GLN 3 Cb -0.05 0.31 0.00 0.00 0.80 0.00 0.00 33.01 34.07 1tm9 s GLN 3 CO -0.13 -0.12 0.00 0.09 -0.50 0.00 0.00 175.29 174.63 1tm9 n ASN 4 N 2.34 0.00 0.00 6.67 4.13 -1.26 -5.06 115.26 122.08 1tm9 n ASN 4 Ca -0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1tm9 n ASN 4 Cb 0.57 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 1tm9 n ASN 4 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1tm9 n ASN 5 N 0.00 0.00 -0.22 6.41 6.94 -1.26 -4.95 115.26 122.19 1tm9 n ASN 5 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 1tm9 n ASN 5 Cb 0.00 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.50 1tm9 n ASN 5 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1tm9 n ILE 6 N 1.51 -0.26 -0.05 1.53 2.08 -1.26 0.15 119.36 123.06 1tm9 n ILE 6 Ca 0.00 1.37 -0.09 0.00 0.56 0.00 0.00 62.75 64.59 1tm9 n ILE 6 Cb 0.00 -1.89 -0.06 0.00 -0.75 0.00 0.00 39.64 36.94 1tm9 n ILE 6 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1tm9 h LYS 7 N 0.00 -0.29 -0.83 0.38 3.11 -1.99 0.43 116.57 117.38 1tm9 h LYS 7 Ca 0.28 0.02 0.19 0.00 -2.81 0.00 0.00 60.65 58.33 1tm9 h LYS 7 Cb 0.43 0.07 -0.12 0.00 -1.00 0.00 0.00 32.23 31.61 1tm9 h LYS 7 CO -0.61 -0.19 0.30 1.49 -2.81 0.00 0.00 179.45 177.63 1tm9 h GLU 8 N -0.30 0.35 -0.88 1.90 4.22 0.97 0.37 114.58 121.20 1tm9 h GLU 8 Ca 0.03 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.50 1tm9 h GLU 8 Cb 0.39 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1tm9 h GLU 8 CO -0.32 0.23 0.56 1.96 -2.18 0.00 0.00 179.01 179.26 1tm9 h GLN 9 N 0.36 1.01 0.17 1.92 4.20 0.82 -2.48 115.11 121.11 1tm9 h GLN 9 Ca 0.49 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.16 1tm9 h GLN 9 Cb 0.88 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1tm9 h GLN 9 CO -0.51 0.67 -0.42 -0.07 -0.67 0.00 0.00 178.83 177.83 1tm9 h LEU 10 N 1.05 -1.21 -0.87 1.46 3.38 0.40 -2.06 115.31 117.46 1tm9 h LEU 10 Ca 0.37 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.60 1tm9 h LEU 10 Cb 0.11 0.45 -0.14 0.00 0.09 0.00 0.00 40.66 41.17 1tm9 h LEU 10 CO -0.15 -0.50 -0.43 0.40 0.09 0.00 0.00 178.44 177.85 1tm9 h ILE 11 N -0.68 0.04 -0.12 1.22 5.03 -1.01 -1.02 117.51 120.96 1tm9 h ILE 11 Ca 0.01 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.76 1tm9 h ILE 11 Cb 0.69 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 34.50 1tm9 h ILE 11 CO -0.21 0.00 -0.07 0.28 -0.68 0.00 0.00 178.15 177.46 1tm9 h SER 12 N -0.06 -0.27 0.00 1.72 0.02 -1.14 0.21 113.55 114.03 1tm9 h SER 12 Ca 0.27 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1tm9 h SER 12 Cb 0.55 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1tm9 h SER 12 CO -0.89 -0.03 0.00 0.49 -1.14 0.00 0.00 176.83 175.26 1tm9 n PHE 13 N -3.27 0.00 -0.23 3.45 3.01 -0.39 -0.52 117.46 119.50 1tm9 n PHE 13 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 1tm9 n PHE 13 Cb 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1tm9 n PHE 13 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1tm9 n PHE 14 N 0.00 0.14 -0.33 1.38 3.72 -1.19 0.27 117.46 121.45 1tm9 n PHE 14 Ca 0.00 0.78 0.17 0.00 -0.05 0.00 0.00 57.45 58.34 1tm9 n PHE 14 Cb 0.00 -0.81 0.32 0.00 -0.94 0.00 0.00 39.48 38.05 1tm9 n PHE 14 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1tm9 n ASN 15 N -4.99 -0.05 -1.85 4.37 5.15 0.32 0.14 115.26 118.35 1tm9 n ASN 15 Ca 0.09 1.64 -0.09 0.00 -0.60 0.00 0.00 54.58 55.61 1tm9 n ASN 15 Cb 0.29 -0.62 -0.09 0.00 -0.53 0.00 0.00 39.78 38.82 1tm9 n ASN 15 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tm9 n GLN 16 N -5.40 1.67 0.00 1.20 6.02 0.76 -4.04 117.38 117.59 1tm9 n GLN 16 Ca 0.25 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.48 1tm9 n GLN 16 Cb 0.81 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1tm9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1tm9 n ALA 17 N 1.96 0.31 -2.90 -1.58 0.00 0.37 -4.47 120.51 114.20 1tm9 n ALA 17 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 1tm9 n ALA 17 Cb 0.74 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.19 1tm9 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tm9 h SER 19 N 5.59 0.00 0.00 0.00 0.02 -1.73 -3.46 113.55 113.97 1tm9 h SER 19 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1tm9 h SER 19 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1tm9 h SER 19 CO 0.02 0.05 0.00 0.35 -1.14 0.00 0.00 176.83 176.11 1tm9 n THR 20 N -2.33 0.00 0.00 -2.27 -2.24 -1.26 -4.81 114.28 101.37 1tm9 n THR 20 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1tm9 n THR 20 Cb 0.01 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1tm9 n THR 20 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1tm9 n HIS 21 N 0.00 0.00 -0.38 4.78 8.25 -1.26 -4.88 115.22 121.73 1tm9 n HIS 21 Ca 0.00 0.00 0.32 0.00 -0.26 0.00 0.00 57.72 57.78 1tm9 n HIS 21 Cb 0.00 0.00 0.53 0.00 1.12 0.00 0.00 29.99 31.64 1tm9 n HIS 21 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tm9 n GLN 22 N 0.00 -0.02 -0.36 -0.41 10.64 -1.26 0.14 117.38 126.11 1tm9 n GLN 22 Ca 0.00 0.94 0.34 0.00 -1.83 0.00 0.00 57.00 56.44 1tm9 n GLN 22 Cb 0.00 -1.88 0.60 0.00 -0.86 0.00 0.00 30.24 28.10 1tm9 n GLN 22 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1tm9 n GLU 23 N -4.12 -0.05 -0.15 2.61 -0.58 -1.26 0.19 120.64 117.28 1tm9 n GLU 23 Ca 0.31 1.31 -0.03 0.00 -0.42 0.00 0.00 57.16 58.32 1tm9 n GLU 23 Cb 1.23 -2.41 0.05 0.00 -0.57 0.00 0.00 31.44 29.74 1tm9 n GLU 23 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1tm9 h ARG 24 N 0.00 0.24 0.00 3.49 0.11 0.85 0.70 114.38 119.77 1tm9 h ARG 24 Ca 0.84 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.88 1tm9 h ARG 24 Cb 2.36 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 33.39 1tm9 h ARG 24 CO -0.66 0.16 -0.08 -0.07 0.10 0.00 0.00 179.97 179.42 1tm9 h LEU 25 N 0.25 0.00 -0.08 0.08 3.38 0.19 0.31 115.31 119.45 1tm9 h LEU 25 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1tm9 h LEU 25 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1tm9 h LEU 25 CO -0.29 0.08 -0.40 0.47 0.09 0.00 0.00 178.44 178.39 1tm9 n ASP 26 N -4.00 0.52 -0.08 -0.43 8.00 0.93 -4.14 116.55 117.35 1tm9 n ASP 26 Ca -0.03 -0.28 -0.08 0.00 0.71 0.00 0.00 54.79 55.12 1tm9 n ASP 26 Cb 0.17 0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 1tm9 n ASP 26 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1tm9 h PHE 27 N 0.19 0.00 -1.85 1.24 -1.00 0.38 -2.08 116.94 113.82 1tm9 h PHE 27 Ca 0.00 0.00 0.54 0.00 2.81 0.00 0.00 57.97 61.32 1tm9 h PHE 27 Cb 0.49 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.97 1tm9 h PHE 27 CO 0.00 0.31 1.33 0.44 -1.61 0.00 0.00 178.31 178.78 1tm9 n ILE 28 N -4.58 -0.02 -0.06 -0.55 -5.35 -0.07 0.21 119.36 108.94 1tm9 n ILE 28 Ca -0.12 1.45 -0.04 0.00 -0.27 0.00 0.00 62.75 63.76 1tm9 n ILE 28 Cb 0.34 -2.41 -0.01 0.00 -1.74 0.00 0.00 39.64 35.82 1tm9 n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1tm9 h SER 30 N -0.89 -1.31 -0.90 0.00 0.02 0.22 0.76 113.55 111.44 1tm9 h SER 30 Ca 0.00 0.22 0.19 0.00 -0.84 0.00 0.00 61.79 61.36 1tm9 h SER 30 Cb 0.46 0.60 -0.17 0.00 0.14 0.00 0.00 62.40 63.43 1tm9 h SER 30 CO 0.00 -0.34 -0.19 0.74 -1.14 0.00 0.00 176.83 175.90 1tm9 h THR 31 N -0.26 0.10 -0.86 -2.27 2.02 0.23 1.70 112.91 113.56 1tm9 h THR 31 Ca 0.17 -0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.99 1tm9 h THR 31 Cb 0.57 0.10 -0.21 0.00 -1.74 0.00 0.00 68.15 66.86 1tm9 h THR 31 CO -0.60 0.00 0.45 -1.14 0.37 0.00 0.00 175.52 174.60 1tm9 n ARG 32 N -5.56 3.06 -2.69 6.66 0.63 0.22 -4.25 116.66 114.73 1tm9 n ARG 32 Ca 0.15 -3.06 -0.05 0.00 -0.92 0.00 0.00 57.85 53.96 1tm9 n ARG 32 Cb 0.49 -2.20 0.12 0.00 0.45 0.00 0.00 32.46 31.31 1tm9 n ARG 32 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1tm9 n GLU 33 N -0.61 1.27 0.00 -0.14 4.07 0.55 -4.98 120.64 120.80 1tm9 n GLU 33 Ca 0.50 -1.61 0.00 0.00 -0.06 0.00 0.00 57.16 55.99 1tm9 n GLU 33 Cb 1.53 0.12 0.00 0.00 -0.06 0.00 0.00 31.44 33.03 1tm9 n GLU 33 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1tm9 n SER 34 N -0.98 0.00 0.05 4.31 2.88 0.62 -4.59 113.62 115.91 1tm9 n SER 34 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1tm9 n SER 34 Cb 0.86 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 1tm9 n SER 34 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1tm9 n ASP 35 N 0.00 -0.98 -1.10 -3.46 8.00 -1.26 -5.13 116.55 112.62 1tm9 n ASP 35 Ca 0.00 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1tm9 n ASP 35 Cb 0.00 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.25 1tm9 n ASP 35 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1tm9 n THR 36 N -2.70 0.00 -0.07 -3.53 5.66 -1.26 -5.08 114.28 107.30 1tm9 n THR 36 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1tm9 n THR 36 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 1tm9 n THR 36 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1tm9 n PHE 37 N 0.00 0.96 0.18 1.09 3.72 -1.26 -3.92 117.46 118.23 1tm9 n PHE 37 Ca 0.00 0.32 0.07 0.00 -0.05 0.00 0.00 57.45 57.79 1tm9 n PHE 37 Cb 0.00 -1.11 0.35 0.00 -0.94 0.00 0.00 39.48 37.78 1tm9 n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1tm9 n SER 38 N -4.06 0.33 0.01 4.37 3.41 -1.26 -1.59 113.62 114.82 1tm9 n SER 38 Ca -0.35 0.63 -0.18 0.00 -0.26 0.00 0.00 58.87 58.71 1tm9 n SER 38 Cb 0.83 -0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1tm9 n SER 38 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1tm9 h SER 39 N 0.00 0.35 -2.09 4.04 0.02 -1.89 -3.46 113.55 110.52 1tm9 h SER 39 Ca 0.00 -0.91 -0.55 0.00 -0.84 0.00 0.00 61.79 59.49 1tm9 h SER 39 Cb 0.08 -0.11 0.23 0.00 0.14 0.00 0.00 62.40 62.74 1tm9 h SER 39 CO 0.00 1.23 -1.74 0.52 -1.14 0.00 0.00 176.83 175.70 1tm9 n VAL 40 N -4.29 0.01 -2.10 2.27 0.31 -0.62 -4.67 118.33 109.24 1tm9 n VAL 40 Ca -0.12 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.31 1tm9 n VAL 40 Cb 0.69 -0.04 -0.01 0.00 -0.91 0.00 0.00 33.84 33.57 1tm9 n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1tm9 n ASP 41 N 3.13 4.19 -3.65 4.52 2.03 -1.26 -4.77 116.55 120.74 1tm9 n ASP 41 Ca -0.01 -2.85 -0.02 0.00 0.52 0.00 0.00 54.79 52.43 1tm9 n ASP 41 Cb 0.55 -1.67 -0.07 0.00 -0.72 0.00 0.00 41.12 39.22 1tm9 n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tm9 s VAL 42 N 4.40 0.00 0.45 5.18 0.11 -1.26 -4.67 120.40 124.61 1tm9 s VAL 42 Ca 0.53 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.36 1tm9 s VAL 42 Cb 0.08 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.85 1tm9 s VAL 42 CO 0.02 0.00 1.04 -2.16 -3.33 0.00 0.00 175.10 170.67 1tm9 s PRO 43 N 0.61 3.95 0.04 1.54 0.04 -1.26 -4.86 135.00 135.07 1tm9 s PRO 43 Ca -0.01 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 1tm9 s PRO 43 Cb -0.04 -2.28 -0.27 0.00 0.04 0.00 0.00 34.50 31.95 1tm9 s PRO 43 CO -0.12 -0.31 1.01 -0.07 0.04 0.00 0.00 177.00 177.54 1tm9 h LEU 44 N 1.95 0.36 -0.95 -3.56 3.38 -1.95 -2.90 115.31 111.63 1tm9 h LEU 44 Ca -0.49 -0.44 0.12 0.00 0.09 0.00 0.00 57.88 57.15 1tm9 h LEU 44 Cb 1.22 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1tm9 h LEU 44 CO 0.60 1.36 -0.50 -0.33 0.09 0.00 0.00 178.44 179.67 1tm9 h GLU 45 N 0.06 -0.03 -0.00 1.13 5.08 -1.96 1.75 114.58 120.62 1tm9 h GLU 45 Ca -0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1tm9 h GLU 45 Cb 1.98 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1tm9 h GLU 45 CO 0.17 -0.02 -0.08 -1.00 -1.00 0.00 0.00 179.01 177.09 1tm9 h PRO 46 N -0.03 0.06 -1.08 2.33 0.13 -1.78 -3.20 132.00 128.44 1tm9 h PRO 46 Ca 0.24 -0.06 0.29 0.00 -0.87 0.00 0.00 66.00 65.59 1tm9 h PRO 46 Cb 0.50 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.57 1tm9 h PRO 46 CO -0.93 0.80 0.72 0.82 -0.23 0.00 0.00 178.00 179.17 1tm9 h ILE 47 N -0.65 0.48 0.00 -3.56 1.08 -1.12 2.39 117.51 116.13 1tm9 h ILE 47 Ca -0.01 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1tm9 h ILE 47 Cb 0.83 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1tm9 h ILE 47 CO 0.02 0.05 -0.00 0.11 -0.69 0.00 0.00 178.15 177.63 1tm9 h LYS 48 N 0.27 0.00 0.22 2.37 6.56 0.26 0.12 116.57 126.38 1tm9 h LYS 48 Ca 0.59 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.83 1tm9 h LYS 48 Cb 1.73 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 33.41 1tm9 h LYS 48 CO -0.22 0.00 -1.64 -0.97 -2.06 0.00 0.00 179.45 174.56 1tm9 h ASN 49 N 0.00 0.72 0.41 0.86 -0.73 0.40 -3.12 115.58 114.11 1tm9 h ASN 49 Ca -0.00 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.24 1tm9 h ASN 49 Cb 0.05 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.40 1tm9 h ASN 49 CO 0.00 1.76 0.00 2.30 -0.37 0.00 0.00 177.43 181.12 1tm9 n ILE 50 N -3.65 0.15 -0.01 2.57 -5.35 -0.23 -2.58 119.36 110.26 1tm9 n ILE 50 Ca -0.22 0.04 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 1tm9 n ILE 50 Cb 1.09 -0.61 -0.14 0.00 -1.74 0.00 0.00 39.64 38.24 1tm9 n ILE 50 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1tm9 h ILE 51 N 0.00 0.81 0.00 7.28 2.04 -0.84 -3.33 117.51 123.47 1tm9 h ILE 51 Ca 0.00 -2.61 -0.04 0.00 1.00 0.00 0.00 64.86 63.20 1tm9 h ILE 51 Cb 0.20 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1tm9 h ILE 51 CO 0.00 0.63 -0.20 -0.33 0.00 0.00 0.00 178.15 178.25 1tm9 h GLU 52 N 0.03 0.00 -0.16 2.37 4.39 -1.43 -2.33 114.58 117.44 1tm9 h GLU 52 Ca -0.32 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.43 1tm9 h GLU 52 Cb 2.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 1tm9 h GLU 52 CO 0.09 0.20 0.28 0.97 -1.16 0.00 0.00 179.01 179.39 1tm9 h ILE 53 N 0.00 0.24 -0.20 3.13 6.09 -1.66 0.79 117.51 125.91 1tm9 h ILE 53 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1tm9 h ILE 53 Cb 0.59 0.75 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1tm9 h ILE 53 CO 0.03 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.46 1tm9 n THR 54 N -3.41 1.66 -0.83 2.19 -2.24 -0.88 -4.57 114.28 106.21 1tm9 n THR 54 Ca 0.01 -1.58 -0.21 0.00 -2.27 0.00 0.00 64.05 60.01 1tm9 n THR 54 Cb 0.39 0.07 0.13 0.00 -2.10 0.00 0.00 70.33 68.82 1tm9 n THR 54 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tm9 n LYS 55 N -0.40 2.05 -3.81 -0.78 4.76 0.28 -4.51 118.16 115.75 1tm9 n LYS 55 Ca 0.14 -2.41 -0.14 0.00 -2.87 0.00 0.00 58.31 53.03 1tm9 n LYS 55 Cb 0.62 -1.95 -0.15 0.00 -1.84 0.00 0.00 35.03 31.71 1tm9 n LYS 55 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1tm9 s ASP 56 N -0.85 0.02 0.00 4.39 1.01 -1.26 -5.05 116.67 114.93 1tm9 s ASP 56 Ca 0.46 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.77 1tm9 s ASP 56 Cb 0.38 -0.00 0.00 0.00 1.01 0.00 0.00 42.92 44.31 1tm9 s ASP 56 CO 0.07 -0.07 0.44 1.21 0.21 0.00 0.00 175.17 177.02 1tm9 n GLU 57 N 3.66 0.00 -0.33 8.23 2.13 -1.26 0.15 120.64 133.22 1tm9 n GLU 57 Ca -0.20 0.38 0.08 0.00 0.66 0.00 0.00 57.16 58.08 1tm9 n GLU 57 Cb 0.55 -0.94 0.18 0.00 0.27 0.00 0.00 31.44 31.50 1tm9 n GLU 57 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1tm9 n ASN 58 N -0.82 -0.26 -0.11 4.31 6.94 -1.26 0.16 115.26 124.21 1tm9 n ASN 58 Ca 0.00 1.60 -0.05 0.00 -0.02 0.00 0.00 54.58 56.11 1tm9 n ASN 58 Cb 0.00 -0.52 0.01 0.00 -2.36 0.00 0.00 39.78 36.92 1tm9 n ASN 58 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1tm9 h GLN 59 N 0.00 -0.06 -0.19 -3.83 1.08 -1.48 1.52 115.11 112.15 1tm9 h GLN 59 Ca 0.49 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.73 1tm9 h GLN 59 Cb 0.84 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.24 1tm9 h GLN 59 CO -0.93 -0.04 -0.09 1.96 -0.95 0.00 0.00 178.83 178.78 1tm9 h GLN 60 N -0.06 -0.07 0.35 1.46 4.20 1.07 1.24 115.11 123.30 1tm9 h GLN 60 Ca 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1tm9 h GLN 60 Cb 0.35 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1tm9 h GLN 60 CO -0.43 -0.04 -0.17 0.82 -0.67 0.00 0.00 178.83 178.34 1tm9 h ILE 61 N -0.07 0.67 -0.94 2.54 2.04 -0.09 -1.40 117.51 120.27 1tm9 h ILE 61 Ca 0.10 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.83 1tm9 h ILE 61 Cb 0.22 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 1tm9 h ILE 61 CO -0.23 0.05 0.60 -0.33 0.00 0.00 0.00 178.15 178.23 1tm9 h GLU 62 N -0.61 0.82 0.21 2.37 5.08 0.24 -1.29 114.58 121.41 1tm9 h GLU 62 Ca -0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1tm9 h GLU 62 Cb 0.44 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1tm9 h GLU 62 CO 0.08 0.54 -0.13 0.82 -1.00 0.00 0.00 179.01 179.32 1tm9 h ILE 63 N 0.84 0.73 -0.56 3.13 2.04 0.19 0.54 117.51 124.42 1tm9 h ILE 63 Ca 0.46 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.38 1tm9 h ILE 63 Cb 0.58 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 1tm9 h ILE 63 CO -0.23 0.00 -0.55 0.74 0.00 0.00 0.00 178.15 178.11 1tm9 h THR 64 N -0.32 0.00 -0.25 -0.27 2.02 -0.12 0.89 112.91 114.86 1tm9 h THR 64 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1tm9 h THR 64 Cb 0.27 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1tm9 h THR 64 CO 0.02 0.00 0.15 0.11 0.37 0.00 0.00 175.52 176.18 1tm9 h LYS 65 N -0.28 0.33 -0.91 6.66 6.56 -1.34 -1.79 116.57 125.81 1tm9 h LYS 65 Ca 0.09 -0.03 0.22 0.00 -1.06 0.00 0.00 60.65 59.87 1tm9 h LYS 65 Cb 0.53 -0.07 -0.12 0.00 -0.57 0.00 0.00 32.23 31.99 1tm9 h LYS 65 CO -0.68 0.25 0.44 0.82 -2.06 0.00 0.00 179.45 178.22 1tm9 h ILE 66 N 0.32 0.52 -0.48 1.86 2.04 0.20 1.01 117.51 122.98 1tm9 h ILE 66 Ca 0.09 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1tm9 h ILE 66 Cb -0.00 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1tm9 h ILE 66 CO -0.02 0.08 0.20 0.00 0.00 0.00 0.00 178.15 178.42 1tm9 h ALA 67 N 1.69 0.62 -0.44 1.87 0.00 0.15 -2.68 119.26 120.47 1tm9 h ALA 67 Ca 0.56 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1tm9 h ALA 67 Cb 1.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1tm9 h ALA 67 CO -0.50 0.21 0.12 0.28 0.00 0.00 0.00 179.25 179.37 1tm9 h VAL 68 N 0.63 1.23 -1.82 0.00 2.07 0.69 -1.16 116.25 117.89 1tm9 h VAL 68 Ca 0.16 -0.78 0.55 0.00 0.82 0.00 0.00 66.70 67.45 1tm9 h VAL 68 Cb 0.17 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 1tm9 h VAL 68 CO -0.02 0.28 1.28 -3.20 0.02 0.00 0.00 177.57 175.93 1tm9 n ASN 69 N -4.53 0.05 -0.08 0.57 5.15 0.30 0.17 115.26 116.88 1tm9 n ASN 69 Ca 0.00 1.08 -0.09 0.00 -0.60 0.00 0.00 54.58 54.98 1tm9 n ASN 69 Cb 0.20 -0.54 -0.03 0.00 -0.53 0.00 0.00 39.78 38.88 1tm9 n ASN 69 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1tm9 n ASN 70 N -4.10 1.85 -0.26 1.20 5.15 -0.84 -4.21 115.26 114.05 1tm9 n ASN 70 Ca 0.43 0.53 -0.01 0.00 -0.60 0.00 0.00 54.58 54.93 1tm9 n ASN 70 Cb 1.90 -0.85 0.05 0.00 -0.53 0.00 0.00 39.78 40.34 1tm9 n ASN 70 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1tm9 h ILE 71 N -1.00 0.17 -1.00 -1.44 5.03 0.40 1.76 117.51 121.44 1tm9 h ILE 71 Ca -0.07 0.00 0.36 0.00 -0.12 0.00 0.00 64.86 65.03 1tm9 h ILE 71 Cb 0.75 0.17 -0.18 0.00 -3.03 0.00 0.00 36.82 34.53 1tm9 h ILE 71 CO -0.04 0.00 0.33 0.11 -0.68 0.00 0.00 178.15 177.87 1tm9 h LYS 72 N -0.07 0.00 0.06 2.37 1.57 0.15 1.14 116.57 121.79 1tm9 h LYS 72 Ca 0.31 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.77 1tm9 h LYS 72 Cb 0.56 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1tm9 h LYS 72 CO -0.77 0.00 -1.76 1.15 -0.57 0.00 0.00 179.45 177.51 1tm9 h THR 73 N 0.00 0.84 0.00 -0.16 2.02 0.49 -3.30 112.91 112.80 1tm9 h THR 73 Ca 0.75 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1tm9 h THR 73 Cb 1.84 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.76 1tm9 h THR 73 CO -0.84 0.68 0.00 0.25 0.37 0.00 0.00 175.52 175.98 1tm9 h LEU 74 N 0.03 0.00 -3.31 2.58 6.46 0.95 -0.19 115.31 121.83 1tm9 h LEU 74 Ca -0.32 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.13 1tm9 h LEU 74 Cb 2.01 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 41.79 1tm9 h LEU 74 CO 0.09 0.00 0.40 -0.24 -0.62 0.00 0.00 178.44 178.08 1tm9 n SER 75 N -2.63 5.27 0.04 1.25 2.88 0.32 -4.43 113.62 116.32 1tm9 n SER 75 Ca -0.01 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 1tm9 n SER 75 Cb 0.09 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1tm9 n SER 75 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tm9 n SER 76 N 0.03 -0.68 -3.25 -3.46 2.88 -0.57 -5.05 113.62 103.51 1tm9 n SER 76 Ca 0.31 0.22 -0.09 0.00 -1.33 0.00 0.00 58.87 57.99 1tm9 n SER 76 Cb 0.79 0.87 0.01 0.00 -0.75 0.00 0.00 64.21 65.13 1tm9 n SER 76 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1tm9 n VAL 77 N -2.38 -2.65 0.00 2.46 0.31 -0.19 -3.65 118.33 112.23 1tm9 n VAL 77 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 1tm9 n VAL 77 Cb 0.00 -3.21 0.00 0.00 -0.91 0.00 0.00 33.84 29.72 1tm9 n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tm9 n GLY 78 N 0.94 1.78 1.15 2.92 0.00 -1.26 -4.57 105.19 106.16 1tm9 n GLY 78 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1tm9 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tm9 n ALA 79 N 4.46 0.00 -2.40 4.61 0.00 -1.24 -5.16 120.51 120.78 1tm9 n ALA 79 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1tm9 n ALA 79 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1tm9 n ALA 79 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1tm9 s THR 80 N -0.77 1.01 0.38 0.00 -4.23 -1.26 -5.00 115.64 105.77 1tm9 s THR 80 Ca 0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1tm9 s THR 80 Cb 0.00 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1tm9 s THR 80 CO 0.00 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1tm9 n GLY 81 N -0.59 -2.10 2.65 3.99 0.00 -1.26 -4.99 105.19 102.89 1tm9 n GLY 81 Ca -0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 1tm9 n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tm9 n GLN 82 N -4.27 -3.22 -0.65 1.61 1.13 -1.26 -4.95 117.38 105.77 1tm9 n GLN 82 Ca -0.00 2.61 -0.20 0.00 -1.94 0.00 0.00 57.00 57.46 1tm9 n GLN 82 Cb 0.67 -5.17 0.11 0.00 0.11 0.00 0.00 30.24 25.97 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1tm9 n TYR 83 N 0.57 -1.88 1.89 1.08 4.01 -1.26 -4.78 117.16 116.79 1tm9 n TYR 83 Ca 0.01 0.21 0.09 0.00 -0.16 0.00 0.00 57.90 58.05 1tm9 n TYR 83 Cb 0.04 -1.41 0.51 0.00 -0.31 0.00 0.00 39.34 38.16 1tm9 n TYR 83 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1tm9 n MET 84 N -0.65 0.95 -0.08 -0.72 2.81 -1.26 -3.23 117.12 114.94 1tm9 n MET 84 Ca 0.03 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.69 1tm9 n MET 84 Cb 0.40 -1.28 -0.12 0.00 -0.71 0.00 0.00 33.22 31.51 1tm9 n MET 84 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tm9 n ALA 85 N -0.78 0.95 -0.25 3.04 0.00 -1.26 -4.27 120.51 117.94 1tm9 n ALA 85 Ca 0.13 -0.69 0.05 0.00 0.00 0.00 0.00 53.44 52.93 1tm9 n ALA 85 Cb 0.06 -0.43 0.18 0.00 0.00 0.00 0.00 19.45 19.26 1tm9 n ALA 85 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1tm9 h SER 86 N -0.60 0.24 -1.03 0.00 0.02 -1.86 0.15 113.55 110.47 1tm9 h SER 86 Ca -0.46 0.11 0.27 0.00 -0.84 0.00 0.00 61.79 60.87 1tm9 h SER 86 Cb 1.63 0.10 -0.12 0.00 0.14 0.00 0.00 62.40 64.15 1tm9 h SER 86 CO -0.15 0.09 0.62 -0.26 -1.14 0.00 0.00 176.83 175.99 1tm9 h PHE 87 N 0.42 0.89 0.00 3.45 0.04 -1.74 1.30 116.94 121.29 1tm9 h PHE 87 Ca 0.41 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.21 1tm9 h PHE 87 Cb 0.62 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1tm9 h PHE 87 CO -0.18 0.02 -0.01 0.35 -0.60 0.00 0.00 178.31 177.90 1tm9 h PHE 88 N 0.48 0.00 0.65 -0.55 3.04 -0.85 0.74 116.94 120.45 1tm9 h PHE 88 Ca 0.65 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.57 1tm9 h PHE 88 Cb 1.42 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.93 1tm9 h PHE 88 CO -0.01 0.01 -0.31 1.03 -2.02 0.00 0.00 178.31 177.01 1tm9 h SER 89 N 0.00 -0.74 0.11 0.41 0.87 0.17 -3.22 113.55 111.14 1tm9 h SER 89 Ca -0.00 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.43 1tm9 h SER 89 Cb 0.04 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1tm9 h SER 89 CO 0.00 -0.51 -0.73 0.71 -0.53 0.00 0.00 176.83 175.78 1tm9 h THR 90 N -0.92 1.51 -1.61 2.23 1.35 -1.57 -3.38 112.91 110.51 1tm9 h THR 90 Ca -0.09 -2.48 -0.73 0.00 -0.55 0.00 0.00 66.41 62.56 1tm9 h THR 90 Cb 0.67 3.17 -0.15 0.00 -1.73 0.00 0.00 68.15 70.11 1tm9 h THR 90 CO 0.15 0.69 1.78 0.59 -0.25 0.00 0.00 175.52 178.47 1tm9 n ASN 91 N -4.21 5.05 -0.10 5.36 4.13 0.25 -4.65 115.26 121.10 1tm9 n ASN 91 Ca -0.15 -2.99 -0.21 0.00 1.68 0.00 0.00 54.58 52.91 1tm9 n ASN 91 Cb 0.76 -1.58 -0.11 0.00 -1.54 0.00 0.00 39.78 37.31 1tm9 n ASN 91 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1tm9 n SER 92 N 5.70 1.86 -0.24 6.41 7.64 -1.22 -2.27 113.62 131.51 1tm9 n SER 92 Ca 0.41 0.43 0.03 0.00 1.01 0.00 0.00 58.87 60.75 1tm9 n SER 92 Cb 0.41 -0.95 0.13 0.00 -1.01 0.00 0.00 64.21 62.79 1tm9 n SER 92 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1tm9 h GLU 93 N -1.00 0.08 -0.02 1.43 5.08 -1.90 1.50 114.58 119.75 1tm9 h GLU 93 Ca -0.34 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1tm9 h GLU 93 Cb 1.26 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1tm9 h GLU 93 CO -0.21 0.05 -0.30 -1.00 -1.00 0.00 0.00 179.01 176.56 1tm9 h PRO 94 N 0.08 0.23 -0.05 2.33 0.13 -1.94 -2.90 132.00 129.88 1tm9 h PRO 94 Ca 0.37 -0.23 0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1tm9 h PRO 94 Cb 0.63 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1tm9 h PRO 94 CO -0.64 0.92 0.09 0.00 -0.23 0.00 0.00 178.00 178.14 1tm9 h ALA 95 N 0.31 1.46 0.40 -0.56 0.00 -0.87 -0.53 119.26 119.46 1tm9 h ALA 95 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1tm9 h ALA 95 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1tm9 h ALA 95 CO 0.06 -0.12 -0.19 0.82 0.00 0.00 0.00 179.25 179.82 1tm9 h ILE 96 N 0.00 0.05 -0.40 0.00 2.04 0.22 0.81 117.51 120.22 1tm9 h ILE 96 Ca 0.03 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.35 1tm9 h ILE 96 Cb 0.20 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 36.28 1tm9 h ILE 96 CO -0.00 0.01 -0.14 0.40 0.00 0.00 0.00 178.15 178.42 1tm9 h ILE 97 N -1.13 0.53 -0.01 -0.67 5.03 -1.19 -1.50 117.51 118.56 1tm9 h ILE 97 Ca -0.05 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.70 1tm9 h ILE 97 Cb 0.43 0.53 -0.02 0.00 -3.03 0.00 0.00 36.82 34.73 1tm9 h ILE 97 CO 0.09 0.00 -0.06 0.15 -0.68 0.00 0.00 178.15 177.65 1tm9 h PHE 98 N -0.05 -0.14 -0.59 1.37 3.04 -1.20 -1.89 116.94 117.49 1tm9 h PHE 98 Ca 0.20 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.21 1tm9 h PHE 98 Cb 0.35 0.07 -0.08 0.00 2.56 0.00 0.00 35.95 38.85 1tm9 h PHE 98 CO -0.39 -0.09 -0.40 0.00 -2.02 0.00 0.00 178.31 175.42 1tm9 h VAL 100 N -0.06 0.07 -0.84 0.00 2.07 -1.19 0.22 116.25 116.52 1tm9 h VAL 100 Ca 0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.78 1tm9 h VAL 100 Cb 0.31 0.07 -0.16 0.00 -1.52 0.00 0.00 31.29 29.99 1tm9 h VAL 100 CO -0.58 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.16 1tm9 h ILE 101 N -0.41 0.13 0.18 4.57 1.08 0.04 0.25 117.51 123.35 1tm9 h ILE 101 Ca 0.10 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.57 1tm9 h ILE 101 Cb 0.61 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 1tm9 h ILE 101 CO -0.53 0.00 -0.19 0.22 -0.69 0.00 0.00 178.15 176.96 1tm9 h TYR 102 N -0.02 -0.50 0.08 1.37 3.20 0.25 -1.01 116.97 120.33 1tm9 h TYR 102 Ca 0.39 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.27 1tm9 h TYR 102 Cb 0.61 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 1tm9 h TYR 102 CO -0.69 -0.28 -0.33 0.35 -1.64 0.00 0.00 178.16 175.57 1tm9 h PHE 103 N -0.41 -0.95 -0.81 -3.82 3.57 0.23 0.56 116.94 115.31 1tm9 h PHE 103 Ca 0.00 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.71 1tm9 h PHE 103 Cb 0.39 0.40 -0.15 0.00 2.79 0.00 0.00 35.95 39.38 1tm9 h PHE 103 CO -0.15 -0.37 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.37 1tm9 h LEU 104 N -0.47 -0.61 -0.65 0.59 3.38 -0.66 1.58 115.31 118.47 1tm9 h LEU 104 Ca -0.00 0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1tm9 h LEU 104 Cb 0.47 0.46 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1tm9 h LEU 104 CO -0.18 -0.25 0.42 1.88 0.09 0.00 0.00 178.44 180.40 1tm9 h TYR 105 N 0.03 0.79 0.00 1.13 0.05 -0.34 0.40 116.97 119.04 1tm9 h TYR 105 Ca 0.42 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.22 1tm9 h TYR 105 Cb 0.70 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1tm9 h TYR 105 CO -0.57 0.48 0.00 0.72 -1.05 0.00 0.00 178.16 177.75 1tm9 n HIS 106 N -4.66 0.00 0.46 4.88 8.25 0.20 -2.62 115.22 121.73 1tm9 n HIS 106 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.57 1tm9 n HIS 106 Cb 0.04 -0.14 0.02 0.00 1.12 0.00 0.00 29.99 31.04 1tm9 n HIS 106 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1tm9 n PHE 107 N -1.14 0.00 -2.18 4.41 3.01 0.48 -4.94 117.46 117.10 1tm9 n PHE 107 Ca 0.19 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.65 1tm9 n PHE 107 Cb 0.17 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1tm9 n PHE 107 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tm9 n GLY 108 N 0.74 -3.72 2.08 1.37 0.00 0.12 -5.00 105.19 100.79 1tm9 n GLY 108 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1tm9 n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tm9 n PHE 109 N 0.44 -4.62 -1.59 1.61 3.72 -1.10 -4.98 117.46 110.93 1tm9 n PHE 109 Ca -0.02 1.54 -0.37 0.00 -0.05 0.00 0.00 57.45 58.56 1tm9 n PHE 109 Cb 0.03 3.86 0.08 0.00 -0.94 0.00 0.00 39.48 42.50 1tm9 n PHE 109 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1tm9 n LEU 110 N -3.43 5.09 -4.63 4.37 4.77 -1.26 -4.93 117.00 116.98 1tm9 n LEU 110 Ca 0.00 0.78 -0.41 0.00 -0.03 0.00 0.00 56.01 56.34 1tm9 n LEU 110 Cb 0.00 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 39.54 1tm9 n LEU 110 CO 0.00 -1.39 0.57 -1.59 -1.33 0.00 0.00 177.39 173.65 1tm9 s LYS 111 N -3.33 4.13 0.17 3.23 0.00 -1.26 -4.94 119.74 117.75 1tm9 s LYS 111 Ca 0.79 0.78 -0.07 0.00 0.00 0.00 0.00 55.97 57.48 1tm9 s LYS 111 Cb -0.37 -3.66 0.03 0.00 0.00 0.00 0.00 37.83 33.83 1tm9 s LYS 111 CO 0.44 -0.51 0.36 -0.25 0.00 0.00 0.00 175.35 175.39 1tm9 n ASP 112 N 5.94 -1.00 -2.32 0.03 9.92 -1.26 -4.97 116.55 122.89 1tm9 n ASP 112 Ca 0.03 -1.68 -0.03 0.00 -0.53 0.00 0.00 54.79 52.58 1tm9 n ASP 112 Cb 0.48 1.66 -0.03 0.00 -0.64 0.00 0.00 41.12 42.59 1tm9 n ASP 112 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1tm9 n ASN 113 N -1.21 -2.25 0.00 -2.24 5.15 -1.26 -5.03 115.26 108.41 1tm9 n ASN 113 Ca -0.04 1.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.95 1tm9 n ASN 113 Cb 0.26 -4.15 0.00 0.00 -0.53 0.00 0.00 39.78 35.36 1tm9 n ASN 113 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1tm9 n ASN 114 N 1.05 0.00 -3.66 1.20 5.15 -1.26 -5.13 115.26 112.61 1tm9 n ASN 114 Ca -0.23 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.62 1tm9 n ASN 114 Cb 0.36 0.19 -0.08 0.00 -0.53 0.00 0.00 39.78 39.72 1tm9 n ASN 114 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1tm9 s LYS 115 N -2.00 0.70 0.54 1.20 2.20 -1.26 -5.13 119.74 115.99 1tm9 s LYS 115 Ca 0.00 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 1tm9 s LYS 115 Cb 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1tm9 s LYS 115 CO 0.00 -0.09 0.00 1.63 -0.36 0.00 0.00 175.35 176.53 1tm9 n LYS 116 N 2.89 -1.51 -1.84 4.03 5.02 -1.26 -4.62 118.16 120.87 1tm9 n LYS 116 Ca -0.14 1.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.73 1tm9 n LYS 116 Cb 0.56 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1tm9 n LYS 116 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1tm9 s GLN 117 N -1.37 4.15 0.47 1.97 -2.07 -1.26 -4.94 119.66 116.61 1tm9 s GLN 117 Ca 0.00 2.52 0.06 0.00 -1.82 0.00 0.00 55.36 56.12 1tm9 s GLN 117 Cb 0.00 -3.02 -0.01 0.00 -1.09 0.00 0.00 33.01 28.89 1tm9 s GLN 117 CO 0.00 -0.54 0.25 -1.50 -1.32 0.00 0.00 175.29 172.18 1tm9 s ILE 118 N -0.44 1.97 0.14 3.63 1.10 -1.26 -4.95 121.20 121.39 1tm9 s ILE 118 Ca 0.58 -1.63 -0.27 0.00 -0.51 0.00 0.00 60.65 58.82 1tm9 s ILE 118 Cb -0.46 -2.60 -0.06 0.00 0.15 0.00 0.00 42.46 39.48 1tm9 s ILE 118 CO 0.53 0.00 1.47 0.40 -2.11 0.00 0.00 174.94 175.23 1tm9 h ILE 119 N 1.14 0.00 -0.84 2.00 1.08 -1.97 0.83 117.51 119.75 1tm9 h ILE 119 Ca -0.41 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.26 1tm9 h ILE 119 Cb 1.28 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.88 1tm9 h ILE 119 CO 0.65 0.00 -0.06 0.50 -0.69 0.00 0.00 178.15 178.55 1tm9 h LYS 120 N -0.03 0.05 -0.90 2.37 3.64 -1.96 1.52 116.57 121.26 1tm9 h LYS 120 Ca 0.13 -0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.71 1tm9 h LYS 120 Cb 0.37 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.07 1tm9 h LYS 120 CO -0.80 0.03 0.44 -0.22 -2.27 0.00 0.00 179.45 176.63 1tm9 h LYS 121 N 0.05 0.49 0.03 1.90 3.11 0.26 1.15 116.57 123.57 1tm9 h LYS 121 Ca 0.45 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1tm9 h LYS 121 Cb 0.80 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 1tm9 h LYS 121 CO -0.79 0.33 -0.02 0.00 -2.81 0.00 0.00 179.45 176.16 1tm9 h ALA 122 N 1.66 -0.06 -1.44 5.00 0.00 0.27 -2.20 119.26 122.49 1tm9 h ALA 122 Ca 0.54 -0.01 0.45 0.00 0.00 0.00 0.00 54.91 55.89 1tm9 h ALA 122 Cb 0.94 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 1tm9 h ALA 122 CO -0.46 -0.06 0.97 1.88 0.00 0.00 0.00 179.25 181.58 1tm9 h TYR 123 N -0.63 0.36 0.09 0.00 -1.99 0.13 1.62 116.97 116.55 1tm9 h TYR 123 Ca -0.00 0.02 -0.28 0.00 2.00 0.00 0.00 58.73 60.46 1tm9 h TYR 123 Cb 0.03 -0.09 0.02 0.00 2.00 0.00 0.00 36.73 38.69 1tm9 h TYR 123 CO 0.00 -0.13 -1.18 1.49 -0.00 0.00 0.00 178.16 178.35 1tm9 h GLU 124 N 0.07 0.54 -0.76 4.88 4.22 0.13 -2.08 114.58 121.58 1tm9 h GLU 124 Ca 0.81 -0.71 0.20 0.00 0.08 0.00 0.00 59.36 59.75 1tm9 h GLU 124 Cb 2.77 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 32.21 1tm9 h GLU 124 CO -0.28 1.30 0.53 0.00 -2.18 0.00 0.00 179.01 178.38 1tm9 h THR 125 N 0.25 0.67 0.00 0.32 1.03 0.30 0.31 112.91 115.79 1tm9 h THR 125 Ca -0.16 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1tm9 h THR 125 Cb 1.85 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 1tm9 h THR 125 CO 0.22 0.02 -0.30 0.40 -0.01 0.00 0.00 175.52 175.85 1tm9 h ILE 126 N 0.13 0.00 -1.26 0.00 2.04 -1.39 -1.84 117.51 115.19 1tm9 h ILE 126 Ca 0.37 -0.93 0.36 0.00 1.00 0.00 0.00 64.86 65.66 1tm9 h ILE 126 Cb 1.27 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1tm9 h ILE 126 CO -0.05 0.00 1.10 0.00 0.00 0.00 0.00 178.15 179.20 1tm9 h ALA 127 N -1.07 3.15 0.00 1.87 0.00 -1.04 1.80 119.26 123.98 1tm9 h ALA 127 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tm9 h ALA 127 Cb 0.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1tm9 h ALA 127 CO 0.00 -1.75 -0.19 0.22 0.00 0.00 0.00 179.25 177.53 1tm9 h ASP 128 N 0.00 0.00 -0.66 0.00 3.58 -0.51 -3.23 116.42 115.60 1tm9 h ASP 128 Ca 0.60 0.00 0.14 0.00 0.42 0.00 0.00 57.03 58.19 1tm9 h ASP 128 Cb 2.79 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 43.74 1tm9 h ASP 128 CO -0.01 0.44 0.09 -1.13 -2.88 0.00 0.00 179.24 175.75 1tm9 h ASN 129 N -0.70 -0.13 -0.11 2.28 -0.73 -0.03 1.47 115.58 117.64 1tm9 h ASN 129 Ca 0.00 0.15 0.03 0.00 1.87 0.00 0.00 56.30 58.35 1tm9 h ASN 129 Cb 0.19 0.23 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 1tm9 h ASN 129 CO 0.00 -0.07 0.20 -0.29 -0.37 0.00 0.00 177.43 176.90 1tm9 h ILE 130 N 0.19 0.25 -0.14 2.57 2.10 0.25 1.39 117.51 124.12 1tm9 h ILE 130 Ca 0.36 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.30 1tm9 h ILE 130 Cb 0.59 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1tm9 h ILE 130 CO -0.51 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 176.56 1tm9 n ALA 131 N -2.17 2.52 0.01 0.18 0.00 0.50 -3.70 120.51 117.85 1tm9 n ALA 131 Ca -0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 1tm9 n ALA 131 Cb 0.29 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 1tm9 n ALA 131 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1tm9 h ASP 132 N 1.23 -0.12 0.94 0.00 3.58 0.21 -3.29 116.42 118.97 1tm9 h ASP 132 Ca 0.00 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1tm9 h ASP 132 Cb 0.27 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1tm9 h ASP 132 CO 0.00 0.48 0.00 0.10 -2.88 0.00 0.00 179.24 176.94 1tm9 h TYR 133 N -0.99 0.00 0.00 0.28 -0.00 -1.69 -3.33 116.97 111.23 1tm9 h TYR 133 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.72 1tm9 h TYR 133 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.11 1tm9 h TYR 133 CO 0.07 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.51 1tm9 n LEU 134 N -2.41 0.00 -2.24 0.10 4.77 -1.24 -5.00 117.00 110.99 1tm9 n LEU 134 Ca 0.02 0.39 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1tm9 n LEU 134 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1tm9 n LEU 134 CO 0.23 0.00 -0.30 -3.20 -1.33 0.00 0.00 177.39 172.80 1tm9 n ASN 135 N -0.44 -5.67 -3.76 -1.43 2.85 -1.25 -4.36 115.26 101.21 1tm9 n ASN 135 Ca 0.00 0.87 -0.26 0.00 -0.11 0.00 0.00 54.58 55.08 1tm9 n ASN 135 Cb 0.00 -3.64 0.00 0.00 1.24 0.00 0.00 39.78 37.38 1tm9 n ASN 135 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1tm9 n GLU 136 N 0.41 -1.25 0.00 1.20 2.13 -1.26 -5.18 120.64 116.69 1tm9 n GLU 136 Ca 0.00 0.58 0.13 0.00 0.66 0.00 0.00 57.16 58.53 1tm9 n GLU 136 Cb 0.01 -2.05 0.21 0.00 0.27 0.00 0.00 31.44 29.88 1tm9 n GLU 136 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01