#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tm9 n GLU 2 N 0.00 0.00 -0.93 0.03 0.28 -1.26 -5.16 120.64 113.61 1tm9 n GLU 2 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 1tm9 n GLU 2 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1tm9 n GLU 2 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1tm9 n GLN 3 N 0.00 -1.87 -1.41 3.44 1.13 -1.26 -4.98 117.38 112.43 1tm9 n GLN 3 Ca 0.00 1.23 0.17 0.00 -1.94 0.00 0.00 57.00 56.46 1tm9 n GLN 3 Cb 0.00 -2.28 -0.09 0.00 0.11 0.00 0.00 30.24 27.98 1tm9 n GLN 3 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1tm9 n ASN 4 N -4.16 -7.59 0.11 1.08 3.02 -1.26 -4.82 115.26 101.64 1tm9 n ASN 4 Ca 0.01 1.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.88 1tm9 n ASN 4 Cb 0.42 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 1tm9 n ASN 4 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1tm9 n ASN 5 N -4.31 0.02 0.00 6.41 3.02 -1.26 -4.72 115.26 114.42 1tm9 n ASN 5 Ca -0.08 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1tm9 n ASN 5 Cb 0.66 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 1tm9 n ASN 5 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1tm9 n ILE 6 N -3.35 0.00 -0.33 2.41 2.08 -1.26 0.18 119.36 119.08 1tm9 n ILE 6 Ca 0.00 0.97 0.26 0.00 0.56 0.00 0.00 62.75 64.54 1tm9 n ILE 6 Cb 0.00 -1.88 0.51 0.00 -0.75 0.00 0.00 39.64 37.51 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 0.24 -0.73 0.38 3.64 -1.98 1.51 116.57 119.63 1tm9 h LYS 7 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1tm9 h LYS 7 Cb 0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1tm9 h LYS 7 CO 0.00 0.16 0.41 1.49 -2.27 0.00 0.00 179.45 179.24 1tm9 h GLU 8 N 0.24 1.00 -0.66 1.90 4.57 -1.80 -1.68 114.58 118.16 1tm9 h GLU 8 Ca 0.76 -0.11 0.08 0.00 -1.18 0.00 0.00 59.36 58.91 1tm9 h GLU 8 Cb 1.83 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 30.17 1tm9 h GLU 8 CO -0.64 0.73 0.44 1.96 -1.18 0.00 0.00 179.01 180.32 1tm9 h GLN 9 N 1.00 0.58 -0.41 1.92 1.08 1.26 -0.54 115.11 120.00 1tm9 h GLN 9 Ca 0.26 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.35 1tm9 h GLN 9 Cb 0.01 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1tm9 h GLN 9 CO -0.04 0.38 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.11 1tm9 h LEU 10 N 0.60 0.74 0.01 1.46 3.38 -0.70 -2.55 115.31 118.25 1tm9 h LEU 10 Ca 0.30 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1tm9 h LEU 10 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1tm9 h LEU 10 CO -0.09 0.90 -0.06 0.40 0.09 0.00 0.00 178.44 179.68 1tm9 h ILE 11 N 0.57 0.00 -0.86 1.22 5.03 -0.60 0.20 117.51 123.07 1tm9 h ILE 11 Ca 0.11 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.94 1tm9 h ILE 11 Cb 0.54 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.22 1tm9 h ILE 11 CO 0.03 0.00 -0.54 -1.28 -0.68 0.00 0.00 178.15 175.68 1tm9 h SER 12 N -0.08 -1.96 0.00 1.72 0.87 -1.51 1.62 113.55 114.21 1tm9 h SER 12 Ca 0.00 0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1tm9 h SER 12 Cb 0.08 0.87 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1tm9 h SER 12 CO -0.04 -0.28 0.00 0.49 -0.53 0.00 0.00 176.83 176.48 1tm9 n PHE 13 N -5.32 0.00 -0.33 2.24 3.01 -0.96 0.11 117.46 116.21 1tm9 n PHE 13 Ca 0.02 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.68 1tm9 n PHE 13 Cb 0.30 0.00 0.42 0.00 -0.01 0.00 0.00 39.48 40.19 1tm9 n PHE 13 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1tm9 h PHE 14 N 0.00 0.82 -0.45 1.38 3.57 -0.75 1.63 116.94 123.14 1tm9 h PHE 14 Ca 0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1tm9 h PHE 14 Cb 0.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1tm9 h PHE 14 CO 0.00 -0.14 0.30 -0.97 -2.23 0.00 0.00 178.31 175.27 1tm9 h ASN 15 N 0.34 0.35 0.27 0.41 -0.73 0.30 0.59 115.58 117.12 1tm9 h ASN 15 Ca 0.68 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.85 1tm9 h ASN 15 Cb 1.47 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.99 1tm9 h ASN 15 CO -0.60 0.24 0.00 0.00 -0.37 0.00 0.00 177.43 176.70 1tm9 n GLN 16 N -4.48 0.43 0.00 6.67 1.13 0.55 -3.87 117.38 117.81 1tm9 n GLN 16 Ca 0.06 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1tm9 n GLN 16 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1tm9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tm9 n ALA 17 N -1.19 0.00 -1.00 -1.58 0.00 0.20 -4.82 120.51 112.11 1tm9 n ALA 17 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1tm9 n ALA 17 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1tm9 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tm9 n SER 19 N -1.41 0.00 -4.11 0.00 7.64 -1.26 -4.81 113.62 109.67 1tm9 n SER 19 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1tm9 n SER 19 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1tm9 n SER 19 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1tm9 n THR 20 N -0.79 0.09 0.09 0.44 -2.24 -1.26 -4.89 114.28 105.73 1tm9 n THR 20 Ca 0.00 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.14 1tm9 n THR 20 Cb 0.00 -0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.00 1tm9 n THR 20 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1tm9 h HIS 21 N -0.81 0.53 -0.24 4.78 3.86 -2.03 -3.19 115.15 118.05 1tm9 h HIS 21 Ca -0.43 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.39 1tm9 h HIS 21 Cb 1.33 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.78 1tm9 h HIS 21 CO 0.23 1.34 0.00 1.04 0.86 0.00 0.00 177.93 181.41 1tm9 n GLN 22 N -3.52 1.94 -0.33 2.45 6.02 -1.26 -4.15 117.38 118.53 1tm9 n GLN 22 Ca -0.12 -1.03 0.05 0.00 -0.01 0.00 0.00 57.00 55.89 1tm9 n GLN 22 Cb 1.04 -1.44 0.20 0.00 1.02 0.00 0.00 30.24 31.06 1tm9 n GLN 22 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1tm9 h GLU 23 N 1.50 0.90 -0.14 -1.09 -0.00 -1.90 0.18 114.58 114.04 1tm9 h GLU 23 Ca 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.29 1tm9 h GLU 23 Cb 0.63 -0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 29.17 1tm9 h GLU 23 CO 0.07 0.59 0.02 0.07 -0.00 0.00 0.00 179.01 179.77 1tm9 h ARG 24 N 0.93 0.19 -0.31 1.06 0.11 -1.85 0.66 114.38 115.15 1tm9 h ARG 24 Ca 0.44 -0.02 -0.16 0.00 0.10 0.00 0.00 59.98 60.34 1tm9 h ARG 24 Cb 0.39 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 1tm9 h ARG 24 CO -0.25 0.19 -0.43 -0.07 0.10 0.00 0.00 179.97 179.52 1tm9 h LEU 25 N 0.19 0.92 0.00 0.08 3.38 -0.99 0.20 115.31 119.09 1tm9 h LEU 25 Ca 0.05 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1tm9 h LEU 25 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1tm9 h LEU 25 CO -0.00 1.24 -0.08 -0.67 0.09 0.00 0.00 178.44 179.01 1tm9 n ASP 26 N -4.10 0.20 -0.06 -0.43 2.03 -0.61 -3.79 116.55 109.79 1tm9 n ASP 26 Ca -0.04 0.40 -0.03 0.00 0.52 0.00 0.00 54.79 55.64 1tm9 n ASP 26 Cb 0.56 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.53 1tm9 n ASP 26 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1tm9 h PHE 27 N 0.00 0.00 -1.76 -0.67 3.57 0.67 -2.69 116.94 116.05 1tm9 h PHE 27 Ca 0.00 0.00 0.52 0.00 3.53 0.00 0.00 57.97 62.02 1tm9 h PHE 27 Cb 0.54 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 1tm9 h PHE 27 CO 0.00 0.00 1.26 0.44 -2.23 0.00 0.00 178.31 177.78 1tm9 n ILE 28 N -4.30 -0.04 -0.00 1.41 -5.35 0.69 0.23 119.36 112.00 1tm9 n ILE 28 Ca -0.05 1.43 -0.00 0.00 -0.27 0.00 0.00 62.75 63.86 1tm9 n ILE 28 Cb 0.20 -2.38 -0.00 0.00 -1.74 0.00 0.00 39.64 35.72 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 -0.04 -0.71 -1.69 0.00 0.02 -0.45 0.88 113.55 111.56 1tm9 h SER 30 Ca 0.00 0.23 0.50 0.00 -0.84 0.00 0.00 61.79 61.68 1tm9 h SER 30 Cb 0.01 0.48 -0.08 0.00 0.14 0.00 0.00 62.40 62.95 1tm9 h SER 30 CO 0.00 -0.26 1.20 0.41 -1.14 0.00 0.00 176.83 177.05 1tm9 n THR 31 N -5.51 -0.04 -2.38 -2.27 -1.04 0.64 0.17 114.28 103.86 1tm9 n THR 31 Ca 0.11 1.37 0.03 0.00 -2.04 0.00 0.00 64.05 63.52 1tm9 n THR 31 Cb 0.41 -2.28 0.06 0.00 -1.82 0.00 0.00 70.33 66.69 1tm9 n THR 31 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1tm9 n ARG 32 N -3.83 0.68 -2.07 -2.82 0.00 0.27 -4.79 116.66 104.10 1tm9 n ARG 32 Ca 0.39 -2.54 -0.01 0.00 -0.00 0.00 0.00 57.85 55.69 1tm9 n ARG 32 Cb 1.75 -0.61 0.04 0.00 0.00 0.00 0.00 32.46 33.63 1tm9 n ARG 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1tm9 n GLU 33 N 0.01 0.84 0.00 -0.14 -0.58 0.45 -5.01 120.64 116.20 1tm9 n GLU 33 Ca 0.10 -2.03 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 1tm9 n GLU 33 Cb 1.01 -0.25 0.00 0.00 -0.57 0.00 0.00 31.44 31.63 1tm9 n GLU 33 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1tm9 n SER 34 N -0.43 0.00 0.02 1.62 2.88 -0.92 -4.67 113.62 112.11 1tm9 n SER 34 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1tm9 n SER 34 Cb 0.89 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 1tm9 n SER 34 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1tm9 n ASP 35 N 0.00 -0.29 -1.73 -3.46 2.03 -1.26 -5.15 116.55 106.69 1tm9 n ASP 35 Ca 0.00 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1tm9 n ASP 35 Cb 0.00 0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1tm9 n ASP 35 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1tm9 n THR 36 N -2.37 0.00 -0.13 5.18 5.66 -1.26 -5.06 114.28 116.29 1tm9 n THR 36 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1tm9 n THR 36 Cb 0.00 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 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 -0.26 0.00 1.09 1.09 3.72 -1.26 -4.45 117.46 117.38 1tm9 n PHE 37 Ca 0.00 -0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 1tm9 n PHE 37 Cb 0.00 -0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.67 1tm9 n PHE 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tm9 n SER 38 N -0.02 1.65 0.00 4.37 2.88 -1.26 -4.62 113.62 116.61 1tm9 n SER 38 Ca 0.00 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.26 1tm9 n SER 38 Cb 0.05 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1tm9 n SER 38 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tm9 n SER 39 N -0.29 0.00 0.00 -3.46 2.88 -1.26 -4.63 113.62 106.87 1tm9 n SER 39 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1tm9 n SER 39 Cb 0.42 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1tm9 n SER 39 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1tm9 n VAL 40 N -2.09 0.00 -2.36 2.46 0.31 -1.26 -3.00 118.33 112.38 1tm9 n VAL 40 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1tm9 n VAL 40 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.58 -0.16 -3.65 4.52 2.03 -1.26 -5.04 116.55 113.57 1tm9 n ASP 41 Ca 0.00 -2.04 -0.09 0.00 0.52 0.00 0.00 54.79 53.18 1tm9 n ASP 41 Cb 0.00 0.09 -0.08 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.44 -0.00 0.50 5.18 0.11 -1.16 -4.58 120.40 120.01 1tm9 s VAL 42 Ca 0.15 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 59.02 1tm9 s VAL 42 Cb 0.23 -0.92 -0.08 0.00 -1.53 0.00 0.00 36.38 34.09 1tm9 s VAL 42 CO -0.08 0.01 1.04 -2.16 -3.33 0.00 0.00 175.10 170.58 1tm9 s PRO 43 N 1.35 3.73 0.13 1.54 0.04 -1.26 -4.49 135.00 136.03 1tm9 s PRO 43 Ca -0.08 1.32 0.09 0.00 0.04 0.00 0.00 61.00 62.37 1tm9 s PRO 43 Cb -0.06 -2.09 -0.17 0.00 0.04 0.00 0.00 34.50 32.23 1tm9 s PRO 43 CO -0.15 -0.49 1.23 -0.07 0.04 0.00 0.00 177.00 177.57 1tm9 h LEU 44 N 1.36 0.00 -0.60 -3.56 3.38 -1.88 -2.91 115.31 111.10 1tm9 h LEU 44 Ca -0.49 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.55 1tm9 h LEU 44 Cb 1.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 1tm9 h LEU 44 CO 0.59 0.92 -0.52 -0.33 0.09 0.00 0.00 178.44 179.19 1tm9 h GLU 45 N 0.00 -0.24 -0.00 1.13 5.08 -1.97 1.56 114.58 120.13 1tm9 h GLU 45 Ca -0.04 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1tm9 h GLU 45 Cb 1.74 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1tm9 h GLU 45 CO 0.11 -0.16 -0.02 -1.00 -1.00 0.00 0.00 179.01 176.94 1tm9 h PRO 46 N -0.25 0.02 -0.66 2.33 0.13 -1.88 -3.30 132.00 128.39 1tm9 h PRO 46 Ca 0.13 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.38 1tm9 h PRO 46 Cb 0.55 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.56 1tm9 h PRO 46 CO -0.71 0.76 -0.15 0.82 -0.23 0.00 0.00 178.00 178.49 1tm9 h ILE 47 N -0.73 0.35 -0.67 -3.56 1.08 -1.26 1.66 117.51 114.38 1tm9 h ILE 47 Ca -0.00 -0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.66 1tm9 h ILE 47 Cb 0.77 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 1tm9 h ILE 47 CO 0.00 0.00 0.70 0.11 -0.69 0.00 0.00 178.15 178.28 1tm9 h LYS 48 N 0.01 0.00 0.11 2.37 1.57 0.22 1.49 116.57 122.33 1tm9 h LYS 48 Ca 0.32 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.81 1tm9 h LYS 48 Cb 0.49 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.83 1tm9 h LYS 48 CO -0.67 0.00 -1.23 -0.97 -0.57 0.00 0.00 179.45 176.02 1tm9 h ASN 49 N 0.00 0.82 -0.01 0.86 -0.73 0.24 -2.97 115.58 113.78 1tm9 h ASN 49 Ca 0.32 -0.75 0.00 0.00 1.87 0.00 0.00 56.30 57.74 1tm9 h ASN 49 Cb 1.72 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 40.06 1tm9 h ASN 49 CO -0.00 1.56 0.00 2.30 -0.37 0.00 0.00 177.43 180.92 1tm9 n ILE 50 N -3.76 0.01 -0.02 2.57 -5.35 0.46 -2.98 119.36 110.29 1tm9 n ILE 50 Ca -0.13 -0.09 -0.02 0.00 -0.27 0.00 0.00 62.75 62.25 1tm9 n ILE 50 Cb 0.98 -0.16 -0.12 0.00 -1.74 0.00 0.00 39.64 38.60 1tm9 n ILE 50 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1tm9 n ILE 51 N -0.58 1.09 -0.96 7.28 5.41 0.16 -4.18 119.36 127.58 1tm9 n ILE 51 Ca 0.21 -0.72 -0.17 0.00 1.00 0.00 0.00 62.75 63.07 1tm9 n ILE 51 Cb 0.18 -0.57 0.02 0.00 -0.71 0.00 0.00 39.64 38.56 1tm9 n ILE 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1tm9 n GLU 52 N -2.76 1.84 -0.06 0.38 0.28 -1.13 -3.78 120.64 115.42 1tm9 n GLU 52 Ca -0.16 -1.56 -0.07 0.00 -0.16 0.00 0.00 57.16 55.22 1tm9 n GLU 52 Cb 0.90 -1.66 -0.07 0.00 1.43 0.00 0.00 31.44 32.04 1tm9 n GLU 52 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1tm9 n ILE 53 N 0.56 0.72 -0.68 3.84 0.13 -1.26 -4.50 119.36 118.17 1tm9 n ILE 53 Ca 0.31 -0.37 -0.17 0.00 -1.10 0.00 0.00 62.75 61.42 1tm9 n ILE 53 Cb 0.58 -0.83 0.15 0.00 -0.84 0.00 0.00 39.64 38.70 1tm9 n ILE 53 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1tm9 n THR 54 N -2.59 2.65 0.10 9.51 -2.24 -1.25 -4.53 114.28 115.93 1tm9 n THR 54 Ca -0.19 -1.44 -0.04 0.00 -2.27 0.00 0.00 64.05 60.11 1tm9 n THR 54 Cb 0.80 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 1tm9 n THR 54 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1tm9 h LYS 55 N 0.88 -0.26 -7.21 -0.78 1.79 -1.81 -3.41 116.57 105.76 1tm9 h LYS 55 Ca 0.46 0.02 -0.49 0.00 -2.18 0.00 0.00 60.65 58.46 1tm9 h LYS 55 Cb 2.39 0.06 0.21 0.00 -1.58 0.00 0.00 32.23 33.30 1tm9 h LYS 55 CO 0.82 -0.17 0.13 -0.51 -1.08 0.00 0.00 179.45 178.63 1tm9 s ASP 56 N -2.71 2.03 0.21 0.86 1.11 -1.26 -4.91 116.67 112.00 1tm9 s ASP 56 Ca -0.04 1.94 0.11 0.00 0.18 0.00 0.00 52.55 54.74 1tm9 s ASP 56 Cb 0.00 -2.48 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 1tm9 s ASP 56 CO 0.12 -3.61 1.38 1.05 1.18 0.00 0.00 175.17 175.29 1tm9 h GLU 57 N -2.22 0.00 -0.47 8.23 9.09 -1.97 -3.11 114.58 124.13 1tm9 h GLU 57 Ca -0.51 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.90 1tm9 h GLU 57 Cb 1.30 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.37 1tm9 h GLU 57 CO 0.45 0.74 0.28 -0.91 0.05 0.00 0.00 179.01 179.61 1tm9 h ASN 58 N 0.00 0.56 0.36 3.06 2.35 -1.96 -2.18 115.58 117.78 1tm9 h ASN 58 Ca -0.01 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1tm9 h ASN 58 Cb 1.54 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1tm9 h ASN 58 CO 0.10 0.46 -0.18 1.56 -1.65 0.00 0.00 177.43 177.72 1tm9 h GLN 59 N 0.62 -0.47 -0.98 0.81 7.50 -1.86 -2.41 115.11 118.32 1tm9 h GLN 59 Ca 0.17 0.03 0.32 0.00 0.50 0.00 0.00 58.65 59.66 1tm9 h GLN 59 Cb 0.01 0.11 -0.15 0.00 0.05 0.00 0.00 27.48 27.49 1tm9 h GLN 59 CO -0.03 -0.23 0.46 1.96 -1.50 0.00 0.00 178.83 179.49 1tm9 h GLN 60 N -0.63 0.23 0.00 1.46 4.20 -1.45 0.27 115.11 119.20 1tm9 h GLN 60 Ca -0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1tm9 h GLN 60 Cb 0.46 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1tm9 h GLN 60 CO 0.08 0.15 0.00 -0.89 -0.67 0.00 0.00 178.83 177.50 1tm9 n ILE 61 N -5.14 0.00 -0.36 2.54 5.41 -0.83 -1.98 119.36 119.00 1tm9 n ILE 61 Ca 0.30 1.12 -0.05 0.00 1.00 0.00 0.00 62.75 65.13 1tm9 n ILE 61 Cb 0.95 -2.06 -0.01 0.00 -0.71 0.00 0.00 39.64 37.81 1tm9 n ILE 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1tm9 n GLU 62 N -1.31 -0.28 -0.17 0.38 1.02 -0.81 -0.42 120.64 119.05 1tm9 n GLU 62 Ca 0.00 1.36 -0.05 0.00 -0.02 0.00 0.00 57.16 58.45 1tm9 n GLU 62 Cb 0.00 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.36 1tm9 n GLU 62 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1tm9 h ILE 63 N 0.00 0.00 -1.07 -3.67 2.04 -0.54 1.34 117.51 115.62 1tm9 h ILE 63 Ca 0.24 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.46 1tm9 h ILE 63 Cb 0.46 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.45 1tm9 h ILE 63 CO -0.87 0.00 0.70 1.07 0.00 0.00 0.00 178.15 179.05 1tm9 n THR 64 N -4.02 -0.17 -0.06 -0.27 5.66 0.44 0.24 114.28 116.11 1tm9 n THR 64 Ca 0.01 1.32 -0.18 0.00 -3.05 0.00 0.00 64.05 62.14 1tm9 n THR 64 Cb 0.13 -2.16 -0.13 0.00 -1.55 0.00 0.00 70.33 66.62 1tm9 n THR 64 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1tm9 h LYS 65 N 0.00 0.06 -0.72 1.09 1.57 0.17 -2.84 116.57 115.90 1tm9 h LYS 65 Ca 0.66 -0.11 0.21 0.00 -1.87 0.00 0.00 60.65 59.54 1tm9 h LYS 65 Cb 2.18 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.50 1tm9 h LYS 65 CO -0.31 1.05 0.65 -0.84 -0.57 0.00 0.00 179.45 179.42 1tm9 h ILE 66 N -0.84 0.38 0.07 1.86 3.07 0.84 1.13 117.51 124.00 1tm9 h ILE 66 Ca -0.15 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 66.16 1tm9 h ILE 66 Cb 1.25 0.51 0.01 0.00 -0.27 0.00 0.00 36.82 38.32 1tm9 h ILE 66 CO -0.04 0.00 -0.45 0.00 -1.05 0.00 0.00 178.15 176.62 1tm9 h ALA 67 N 1.38 -0.03 0.40 0.16 0.00 -0.28 -3.26 119.26 117.64 1tm9 h ALA 67 Ca 0.34 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1tm9 h ALA 67 Cb 1.63 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1tm9 h ALA 67 CO -0.00 0.21 -0.19 0.28 0.00 0.00 0.00 179.25 179.55 1tm9 h VAL 68 N -0.69 0.60 -1.72 0.00 2.07 -0.09 0.13 116.25 116.54 1tm9 h VAL 68 Ca -0.08 -0.22 0.52 0.00 0.82 0.00 0.00 66.70 67.73 1tm9 h VAL 68 Cb 1.32 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 1tm9 h VAL 68 CO 0.07 0.04 1.21 -1.13 0.02 0.00 0.00 177.57 177.78 1tm9 h ASN 69 N -0.67 0.07 0.10 0.57 -0.73 0.92 1.88 115.58 117.72 1tm9 h ASN 69 Ca -0.06 0.05 -0.22 0.00 1.87 0.00 0.00 56.30 57.94 1tm9 h ASN 69 Cb 0.49 0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.12 1tm9 h ASN 69 CO 0.09 -0.07 -1.12 0.78 -0.37 0.00 0.00 177.43 176.74 1tm9 h ASN 70 N 0.01 0.33 -0.11 1.15 2.35 -1.41 -3.22 115.58 114.67 1tm9 h ASN 70 Ca 0.88 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1tm9 h ASN 70 Cb 3.33 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 41.59 1tm9 h ASN 70 CO -0.15 1.49 0.07 -0.29 -1.65 0.00 0.00 177.43 176.90 1tm9 h ILE 71 N -0.45 1.02 -0.41 2.81 6.09 0.49 0.72 117.51 127.77 1tm9 h ILE 71 Ca -0.24 -0.05 0.12 0.00 -1.37 0.00 0.00 64.86 63.32 1tm9 h ILE 71 Cb 1.62 0.87 -0.02 0.00 0.47 0.00 0.00 36.82 39.75 1tm9 h ILE 71 CO 0.05 0.03 0.39 0.07 -3.07 0.00 0.00 178.15 175.61 1tm9 h LYS 72 N 0.14 0.00 0.05 2.19 2.10 0.20 0.27 116.57 121.52 1tm9 h LYS 72 Ca 0.04 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.39 1tm9 h LYS 72 Cb -0.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.29 1tm9 h LYS 72 CO -0.02 0.00 -1.71 1.15 -2.00 0.00 0.00 179.45 176.87 1tm9 h THR 73 N 0.00 0.89 0.00 0.07 2.02 -1.06 -3.28 112.91 111.54 1tm9 h THR 73 Ca 0.19 -2.67 0.00 0.00 0.77 0.00 0.00 66.41 64.70 1tm9 h THR 73 Cb 0.96 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1tm9 h THR 73 CO -0.00 0.67 0.00 0.18 0.37 0.00 0.00 175.52 176.73 1tm9 n LEU 74 N -3.23 0.38 -2.29 2.58 4.77 0.23 -3.21 117.00 116.22 1tm9 n LEU 74 Ca -0.19 0.65 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 1tm9 n LEU 74 Cb 1.04 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1tm9 n LEU 74 CO 0.45 -0.67 2.00 -0.24 -1.33 0.00 0.00 177.39 177.60 1tm9 n SER 75 N -1.97 6.03 0.00 -1.43 2.88 -0.72 -4.24 113.62 114.17 1tm9 n SER 75 Ca 0.00 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1tm9 n SER 75 Cb 0.08 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 1tm9 n SER 75 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1tm9 n SER 76 N 2.69 0.00 -1.25 -3.46 7.64 -1.20 -5.09 113.62 112.95 1tm9 n SER 76 Ca 0.51 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.53 1tm9 n SER 76 Cb 0.76 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 1tm9 n SER 76 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1tm9 n VAL 77 N -0.28 -0.14 -1.69 0.44 0.31 -1.26 -4.66 118.33 111.06 1tm9 n VAL 77 Ca 0.00 0.45 -0.44 0.00 -0.01 0.00 0.00 64.34 64.34 1tm9 n VAL 77 Cb 0.00 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.07 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 -3.87 0.98 0.07 2.92 0.00 -1.26 -4.92 105.19 99.11 1tm9 n GLY 78 Ca -0.04 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 1tm9 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tm9 h ALA 79 N 4.62 0.02 -0.29 4.61 0.00 -1.87 -3.28 119.26 123.08 1tm9 h ALA 79 Ca -0.45 -0.40 -0.33 0.00 0.00 0.00 0.00 54.91 53.73 1tm9 h ALA 79 Cb 1.26 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1tm9 h ALA 79 CO 0.79 0.07 1.05 0.25 0.00 0.00 0.00 179.25 181.40 1tm9 n THR 80 N -4.65 1.41 -2.81 0.00 -2.24 -1.26 -4.35 114.28 100.37 1tm9 n THR 80 Ca -0.09 -1.42 -0.03 0.00 -2.27 0.00 0.00 64.05 60.25 1tm9 n THR 80 Cb 0.35 -2.15 -0.02 0.00 -2.10 0.00 0.00 70.33 66.40 1tm9 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tm9 n GLY 81 N 5.63 -3.12 2.91 3.38 0.00 -1.26 -5.04 105.19 107.69 1tm9 n GLY 81 Ca 0.45 0.99 0.01 0.00 0.00 0.00 0.00 46.02 47.46 1tm9 n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tm9 s GLN 82 N -0.57 0.46 0.99 1.61 0.74 -1.24 -4.97 119.66 116.69 1tm9 s GLN 82 Ca -0.15 -0.20 -0.14 0.00 0.05 0.00 0.00 55.36 54.92 1tm9 s GLN 82 Cb 0.01 0.04 0.19 0.00 1.10 0.00 0.00 33.01 34.35 1tm9 s GLN 82 CO 0.49 -0.64 1.16 0.71 -0.55 0.00 0.00 175.29 176.45 1tm9 s TYR 83 N 1.78 1.89 0.62 1.67 2.02 -1.26 -3.98 117.35 120.09 1tm9 s TYR 83 Ca 0.17 0.71 0.32 0.00 -0.37 0.00 0.00 57.07 57.89 1tm9 s TYR 83 Cb 0.01 -3.50 1.78 0.00 -0.40 0.00 0.00 41.96 39.85 1tm9 s TYR 83 CO -0.11 -2.80 2.10 1.98 -1.57 0.00 0.00 175.55 175.15 1tm9 h MET 84 N -1.80 0.00 -0.35 -0.62 1.85 -1.96 -0.15 114.93 111.90 1tm9 h MET 84 Ca -0.49 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.58 1tm9 h MET 84 Cb 1.31 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.32 1tm9 h MET 84 CO 0.52 0.00 0.14 0.00 -0.40 0.00 0.00 176.91 177.17 1tm9 h ALA 85 N 1.71 0.45 -0.73 0.39 0.00 -1.96 -2.63 119.26 116.49 1tm9 h ALA 85 Ca 0.06 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1tm9 h ALA 85 Cb 0.47 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1tm9 h ALA 85 CO -0.00 0.04 0.41 0.77 0.00 0.00 0.00 179.25 180.48 1tm9 h SER 86 N 0.41 0.62 0.00 0.00 0.02 -1.35 -2.65 113.55 110.60 1tm9 h SER 86 Ca 0.12 0.03 -0.31 0.00 -0.84 0.00 0.00 61.79 60.79 1tm9 h SER 86 Cb 0.17 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1tm9 h SER 86 CO -0.01 0.39 0.92 0.33 -1.14 0.00 0.00 176.83 177.32 1tm9 n PHE 87 N -4.75 0.69 0.00 3.45 7.35 -0.99 -3.15 117.46 120.06 1tm9 n PHE 87 Ca 0.10 -1.83 0.00 0.00 -0.76 0.00 0.00 57.45 54.96 1tm9 n PHE 87 Cb 0.19 -1.75 0.00 0.00 0.35 0.00 0.00 39.48 38.27 1tm9 n PHE 87 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1tm9 n PHE 88 N 2.91 -0.54 -0.16 -5.13 -0.00 -1.00 -4.79 117.46 108.75 1tm9 n PHE 88 Ca 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.84 1tm9 n PHE 88 Cb 0.64 0.17 0.02 0.00 -0.00 0.00 0.00 39.48 40.31 1tm9 n PHE 88 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1tm9 h SER 89 N 0.00 1.00 0.76 -2.13 0.87 -1.60 -3.26 113.55 109.17 1tm9 h SER 89 Ca 0.00 -0.36 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 1tm9 h SER 89 Cb 0.00 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1tm9 h SER 89 CO 0.00 1.15 -0.37 0.71 -0.53 0.00 0.00 176.83 177.78 1tm9 h THR 90 N 0.85 0.00 -3.63 2.23 1.35 -1.90 -3.40 112.91 108.41 1tm9 h THR 90 Ca 0.12 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.31 1tm9 h THR 90 Cb 0.75 0.00 -0.24 0.00 -1.73 0.00 0.00 68.15 66.94 1tm9 h THR 90 CO 0.06 0.00 -0.60 0.20 -0.25 0.00 0.00 175.52 174.93 1tm9 s ASN 91 N -3.54 5.24 -0.07 5.36 0.01 -1.23 -4.96 114.94 115.76 1tm9 s ASN 91 Ca -0.15 -0.44 -0.11 0.00 -0.71 0.00 0.00 52.86 51.46 1tm9 s ASN 91 Cb 0.02 -1.93 -0.29 0.00 0.41 0.00 0.00 41.25 39.45 1tm9 s ASN 91 CO 0.46 -0.12 0.58 -1.28 -1.51 0.00 0.00 177.10 175.22 1tm9 h SER 92 N 8.27 0.55 -0.88 -1.22 0.87 -1.79 -2.97 113.55 116.38 1tm9 h SER 92 Ca -0.35 -0.93 0.17 0.00 -1.23 0.00 0.00 61.79 59.45 1tm9 h SER 92 Cb 1.15 -0.18 -0.16 0.00 -0.44 0.00 0.00 62.40 62.77 1tm9 h SER 92 CO 0.60 1.79 -0.26 -0.33 -0.53 0.00 0.00 176.83 178.10 1tm9 h GLU 93 N 0.05 -0.01 0.01 2.24 3.07 -1.92 1.33 114.58 119.35 1tm9 h GLU 93 Ca -0.36 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1tm9 h GLU 93 Cb 2.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.96 1tm9 h GLU 93 CO 0.14 -0.01 -0.00 -1.00 -1.40 0.00 0.00 179.01 176.74 1tm9 h PRO 94 N -0.01 -0.01 -0.75 2.33 0.13 -1.95 -2.84 132.00 128.90 1tm9 h PRO 94 Ca 0.40 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.75 1tm9 h PRO 94 Cb 0.64 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 1tm9 h PRO 94 CO -0.91 0.72 0.61 0.00 -0.23 0.00 0.00 178.00 178.19 1tm9 h ALA 95 N 0.20 2.62 0.31 -0.56 0.00 -1.07 0.48 119.26 121.25 1tm9 h ALA 95 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1tm9 h ALA 95 Cb 0.74 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1tm9 h ALA 95 CO 0.00 -1.00 -0.15 0.82 0.00 0.00 0.00 179.25 178.92 1tm9 h ILE 96 N 0.00 0.37 -0.09 0.00 2.04 0.17 -2.49 117.51 117.52 1tm9 h ILE 96 Ca 0.36 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1tm9 h ILE 96 Cb 1.58 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1tm9 h ILE 96 CO -0.00 0.09 -0.14 0.40 0.00 0.00 0.00 178.15 178.50 1tm9 h ILE 97 N -1.01 0.63 -0.27 -0.67 5.03 -0.75 -2.33 117.51 118.14 1tm9 h ILE 97 Ca -0.04 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.73 1tm9 h ILE 97 Cb 0.47 0.63 -0.05 0.00 -3.03 0.00 0.00 36.82 34.84 1tm9 h ILE 97 CO 0.07 0.00 -0.33 -0.26 -0.68 0.00 0.00 178.15 176.95 1tm9 h PHE 98 N -0.19 -1.01 -0.48 1.37 0.04 -0.22 0.96 116.94 117.41 1tm9 h PHE 98 Ca 0.08 0.05 0.04 0.00 2.80 0.00 0.00 57.97 60.94 1tm9 h PHE 98 Cb 0.30 0.48 -0.06 0.00 2.20 0.00 0.00 35.95 38.87 1tm9 h PHE 98 CO -0.24 -0.28 -0.31 0.00 -0.60 0.00 0.00 178.31 176.87 1tm9 h VAL 100 N -0.04 0.01 0.52 0.00 2.07 -0.82 1.01 116.25 119.00 1tm9 h VAL 100 Ca 0.08 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1tm9 h VAL 100 Cb 0.24 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1tm9 h VAL 100 CO -0.47 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.27 1tm9 h ILE 101 N 0.00 0.43 0.02 4.57 1.08 0.30 -2.49 117.51 121.42 1tm9 h ILE 101 Ca 0.51 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 1tm9 h ILE 101 Cb 0.85 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1tm9 h ILE 101 CO -1.00 0.04 -0.11 1.88 -0.69 0.00 0.00 178.15 178.28 1tm9 h TYR 102 N -0.88 -0.31 -0.81 1.37 0.05 0.63 -1.96 116.97 115.07 1tm9 h TYR 102 Ca -0.07 0.01 0.13 0.00 0.05 0.00 0.00 58.73 58.85 1tm9 h TYR 102 Cb 0.60 0.13 -0.13 0.00 1.01 0.00 0.00 36.73 38.35 1tm9 h TYR 102 CO -0.01 -0.12 -0.31 1.19 -1.05 0.00 0.00 178.16 177.87 1tm9 n PHE 103 N -3.07 0.05 -0.13 4.88 3.01 0.31 0.14 117.46 122.64 1tm9 n PHE 103 Ca -0.02 0.99 -0.06 0.00 1.01 0.00 0.00 57.45 59.37 1tm9 n PHE 103 Cb 0.08 -0.82 -0.00 0.00 -0.01 0.00 0.00 39.48 38.73 1tm9 n PHE 103 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1tm9 h LEU 104 N 0.00 -1.00 -0.13 4.37 3.38 -1.00 0.30 115.31 121.24 1tm9 h LEU 104 Ca 0.29 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 1tm9 h LEU 104 Cb 0.49 0.49 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1tm9 h LEU 104 CO -0.80 -0.30 0.00 1.88 0.09 0.00 0.00 178.44 179.31 1tm9 h TYR 105 N -0.21 0.24 -0.65 1.13 0.05 0.18 1.19 116.97 118.90 1tm9 h TYR 105 Ca 0.19 -0.04 0.13 0.00 0.05 0.00 0.00 58.73 59.06 1tm9 h TYR 105 Cb 0.52 -0.06 -0.12 0.00 1.01 0.00 0.00 36.73 38.08 1tm9 h TYR 105 CO -0.53 0.45 -0.20 0.45 -1.05 0.00 0.00 178.16 177.28 1tm9 h HIS 106 N -0.04 -0.45 0.01 4.88 3.86 0.23 -3.07 115.15 120.57 1tm9 h HIS 106 Ca 0.04 0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1tm9 h HIS 106 Cb 0.35 0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1tm9 h HIS 106 CO 0.03 -0.30 -0.01 0.74 0.86 0.00 0.00 177.93 179.25 1tm9 h PHE 107 N -0.03 -0.02 0.00 2.45 0.04 -0.36 -3.50 116.94 115.52 1tm9 h PHE 107 Ca 0.30 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1tm9 h PHE 107 Cb 0.50 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1tm9 h PHE 107 CO -0.55 -0.01 0.00 0.41 -0.60 0.00 0.00 178.31 177.56 1tm9 n GLY 108 N 1.78 1.47 2.07 -1.45 0.00 0.40 -5.09 105.19 104.37 1tm9 n GLY 108 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -2.79 -1.62 1.61 3.72 -0.49 -4.97 117.46 112.93 1tm9 n PHE 109 Ca 0.00 0.68 -0.41 0.00 -0.05 0.00 0.00 57.45 57.67 1tm9 n PHE 109 Cb 0.00 1.61 0.01 0.00 -0.94 0.00 0.00 39.48 40.16 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 -3.19 2.75 -4.68 4.37 4.77 -1.26 -4.89 117.00 114.87 1tm9 n LEU 110 Ca 0.00 1.05 -0.43 0.00 -0.03 0.00 0.00 56.01 56.60 1tm9 n LEU 110 Cb 0.00 -1.37 -0.02 0.00 -2.33 0.00 0.00 43.42 39.70 1tm9 n LEU 110 CO 0.00 -1.39 0.85 -1.59 -1.33 0.00 0.00 177.39 173.93 1tm9 s LYS 111 N -2.02 4.36 -0.35 3.23 0.00 -1.26 -4.90 119.74 118.80 1tm9 s LYS 111 Ca 0.63 1.41 -0.03 0.00 0.00 0.00 0.00 55.97 57.97 1tm9 s LYS 111 Cb -0.56 -3.58 0.19 0.00 0.00 0.00 0.00 37.83 33.88 1tm9 s LYS 111 CO 0.57 -0.43 0.89 -0.51 0.00 0.00 0.00 175.35 175.87 1tm9 s ASP 112 N 1.18 -0.78 -0.08 0.03 1.11 -1.26 -4.93 116.67 111.93 1tm9 s ASP 112 Ca 0.48 -0.31 0.02 0.00 0.18 0.00 0.00 52.55 52.91 1tm9 s ASP 112 Cb -0.18 1.08 0.01 0.00 1.07 0.00 0.00 42.92 44.91 1tm9 s ASP 112 CO 0.14 -0.10 -0.12 0.21 1.18 0.00 0.00 175.17 176.49 1tm9 s ASN 113 N 2.09 1.94 0.00 0.27 3.84 -1.26 -4.97 114.94 116.85 1tm9 s ASN 113 Ca 0.16 -0.32 0.00 0.00 0.21 0.00 0.00 52.86 52.91 1tm9 s ASN 113 Cb -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 41.25 39.82 1tm9 s ASN 113 CO -0.14 0.01 0.00 -3.20 -2.79 0.00 0.00 177.10 170.98 1tm9 n ASN 114 N 4.03 0.00 -2.85 -4.21 5.15 -1.26 -5.02 115.26 111.10 1tm9 n ASN 114 Ca -0.21 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.48 1tm9 n ASN 114 Cb 0.51 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.69 1tm9 n ASN 114 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1tm9 n LYS 115 N -0.24 3.18 -3.80 1.20 5.02 -1.26 -4.79 118.16 117.47 1tm9 n LYS 115 Ca 0.00 -2.02 -0.08 0.00 -2.02 0.00 0.00 58.31 54.19 1tm9 n LYS 115 Cb 0.00 -2.46 -0.02 0.00 -0.02 0.00 0.00 35.03 32.52 1tm9 n LYS 115 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tm9 s LYS 116 N 0.96 1.71 -0.54 1.97 1.02 -1.26 -5.09 119.74 118.52 1tm9 s LYS 116 Ca 0.66 -0.92 -0.26 0.00 0.02 0.00 0.00 55.97 55.47 1tm9 s LYS 116 Cb 0.24 0.60 -0.07 0.00 -0.52 0.00 0.00 37.83 38.09 1tm9 s LYS 116 CO -0.06 -0.78 2.35 -0.65 -0.92 0.00 0.00 175.35 175.29 1tm9 s GLN 117 N -3.90 2.10 0.10 1.68 -0.21 -1.26 -4.91 119.66 113.26 1tm9 s GLN 117 Ca 0.10 1.20 0.01 0.00 0.02 0.00 0.00 55.36 56.69 1tm9 s GLN 117 Cb -0.05 -4.59 0.01 0.00 1.00 0.00 0.00 33.01 29.38 1tm9 s GLN 117 CO 0.04 -3.36 0.11 1.51 -2.12 0.00 0.00 175.29 171.47 1tm9 n ILE 118 N 8.00 0.00 0.00 1.08 0.13 -1.26 -4.87 119.36 122.44 1tm9 n ILE 118 Ca 0.36 -0.36 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1tm9 n ILE 118 Cb 0.53 -0.70 0.00 0.00 -0.84 0.00 0.00 39.64 38.63 1tm9 n ILE 118 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1tm9 n ILE 119 N -1.01 0.00 -0.33 9.51 2.08 -1.26 0.22 119.36 128.57 1tm9 n ILE 119 Ca 0.01 1.26 0.26 0.00 0.56 0.00 0.00 62.75 64.85 1tm9 n ILE 119 Cb 0.11 -2.08 0.49 0.00 -0.75 0.00 0.00 39.64 37.41 1tm9 n ILE 119 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1tm9 h LYS 120 N 0.00 0.05 -0.16 0.38 3.64 -1.97 1.67 116.57 120.18 1tm9 h LYS 120 Ca 0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1tm9 h LYS 120 Cb 0.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1tm9 h LYS 120 CO 0.00 0.03 -0.05 -0.22 -2.27 0.00 0.00 179.45 176.94 1tm9 h LYS 121 N 0.05 -0.02 0.37 1.90 1.63 -1.72 0.29 116.57 119.07 1tm9 h LYS 121 Ca 0.76 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.55 1tm9 h LYS 121 Cb 1.89 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.53 1tm9 h LYS 121 CO -0.79 -0.01 -0.18 0.00 -3.45 0.00 0.00 179.45 175.03 1tm9 h ALA 122 N 1.14 -0.60 -0.94 5.00 0.00 0.64 -1.47 119.26 123.02 1tm9 h ALA 122 Ca 0.08 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.10 1tm9 h ALA 122 Cb 0.14 0.19 -0.18 0.00 0.00 0.00 0.00 17.79 17.94 1tm9 h ALA 122 CO -0.17 -0.56 -0.13 0.66 0.00 0.00 0.00 179.25 179.05 1tm9 n TYR 123 N -4.49 0.45 -0.12 0.00 4.02 0.30 0.22 117.16 117.55 1tm9 n TYR 123 Ca -0.06 1.14 -0.07 0.00 -0.01 0.00 0.00 57.90 58.90 1tm9 n TYR 123 Cb 0.19 -1.12 0.10 0.00 -0.02 0.00 0.00 39.34 38.50 1tm9 n TYR 123 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1tm9 h GLU 124 N 0.00 0.84 -0.52 -0.72 4.81 -0.47 -0.76 114.58 117.75 1tm9 h GLU 124 Ca 0.50 -0.29 0.15 0.00 -0.13 0.00 0.00 59.36 59.60 1tm9 h GLU 124 Cb 0.90 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1tm9 h GLU 124 CO -0.93 0.91 0.44 0.00 -0.73 0.00 0.00 179.01 178.69 1tm9 h THR 125 N 0.75 0.55 0.00 0.32 1.03 0.38 0.24 112.91 116.19 1tm9 h THR 125 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.52 1tm9 h THR 125 Cb 0.61 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 1tm9 h THR 125 CO 0.04 0.00 -0.42 -0.38 -0.01 0.00 0.00 175.52 174.75 1tm9 n ILE 126 N -4.07 1.09 -0.49 0.00 5.41 -0.70 -2.42 119.36 118.18 1tm9 n ILE 126 Ca 0.10 0.28 0.43 0.00 1.00 0.00 0.00 62.75 64.56 1tm9 n ILE 126 Cb 0.65 -2.18 0.72 0.00 -0.71 0.00 0.00 39.64 38.11 1tm9 n ILE 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tm9 h ALA 127 N -1.23 3.47 0.00 -1.39 0.00 -0.91 1.83 119.26 121.03 1tm9 h ALA 127 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1tm9 h ALA 127 Cb 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1tm9 h ALA 127 CO 0.00 -2.05 -0.34 -0.44 0.00 0.00 0.00 179.25 176.42 1tm9 h ASP 128 N 0.00 0.00 -0.41 0.00 5.19 -0.67 -3.14 116.42 117.38 1tm9 h ASP 128 Ca 0.74 -0.57 0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1tm9 h ASP 128 Cb 3.23 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 42.70 1tm9 h ASP 128 CO -0.01 0.98 0.19 -1.13 -3.12 0.00 0.00 179.24 176.15 1tm9 h ASN 129 N -1.00 0.26 -0.02 6.45 -0.73 0.98 0.25 115.58 121.77 1tm9 h ASN 129 Ca -0.08 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.13 1tm9 h ASN 129 Cb 0.81 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.38 1tm9 h ASN 129 CO -0.05 0.19 0.09 -0.29 -0.37 0.00 0.00 177.43 177.00 1tm9 h ILE 130 N 0.39 0.12 -0.08 2.57 2.10 0.22 1.14 117.51 123.97 1tm9 h ILE 130 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.12 1tm9 h ILE 130 Cb 0.11 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 1tm9 h ILE 130 CO -0.14 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 176.93 1tm9 n ALA 131 N -2.10 2.57 0.02 0.18 0.00 0.87 -3.01 120.51 119.04 1tm9 n ALA 131 Ca -0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1tm9 n ALA 131 Cb 0.17 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 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 1.54 0.00 0.06 0.00 3.58 0.16 -3.33 116.42 118.43 1tm9 h ASP 132 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1tm9 h ASP 132 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1tm9 h ASP 132 CO 0.00 0.84 -1.24 0.00 -2.88 0.00 0.00 179.24 175.96 1tm9 n TYR 133 N -3.07 0.03 0.00 0.28 0.18 -1.21 -4.62 117.16 108.74 1tm9 n TYR 133 Ca -0.10 0.01 0.00 0.00 1.88 0.00 0.00 57.90 59.69 1tm9 n TYR 133 Cb 0.95 -0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.73 1tm9 n TYR 133 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1tm9 n LEU 134 N -1.74 0.00 -2.88 -3.48 4.77 -1.16 -4.95 117.00 107.56 1tm9 n LEU 134 Ca 0.02 0.50 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 1tm9 n LEU 134 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1tm9 n LEU 134 CO 0.43 0.00 0.19 0.59 -1.33 0.00 0.00 177.39 177.27 1tm9 n ASN 135 N -0.66 -7.57 -2.67 -1.43 4.13 -1.26 -5.00 115.26 100.79 1tm9 n ASN 135 Ca 0.00 0.22 -0.05 0.00 1.68 0.00 0.00 54.58 56.43 1tm9 n ASN 135 Cb 0.00 -5.13 0.04 0.00 -1.54 0.00 0.00 39.78 33.16 1tm9 n ASN 135 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1tm9 n GLU 136 N -1.02 0.45 0.00 3.52 0.00 -1.26 -5.21 120.64 117.12 1tm9 n GLU 136 Ca 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 57.16 56.19 1tm9 n GLU 136 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 31.44 31.79 1tm9 n GLU 136 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42