#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 0.00 3.17 0.28 -1.26 -5.00 120.64 117.83 1tm9 n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1tm9 n GLU 2 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1tm9 n GLU 2 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1tm9 n GLN 3 N -0.29 0.00 -1.57 3.44 0.00 -1.26 -5.02 117.38 112.69 1tm9 n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1tm9 n GLN 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1tm9 n GLN 3 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1tm9 n ASN 4 N 0.00 -8.43 -0.19 1.69 3.02 -1.26 -2.37 115.26 107.72 1tm9 n ASN 4 Ca 0.00 1.20 -0.00 0.00 -0.03 0.00 0.00 54.58 55.75 1tm9 n ASN 4 Cb 0.00 -4.57 0.10 0.00 -0.61 0.00 0.00 39.78 34.70 1tm9 n ASN 4 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1tm9 h ASN 5 N 1.84 0.09 0.00 6.41 4.21 -2.01 0.74 115.58 126.85 1tm9 h ASN 5 Ca 0.00 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.60 1tm9 h ASN 5 Cb 0.00 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1tm9 h ASN 5 CO 0.00 0.06 0.00 -0.38 -1.29 0.00 0.00 177.43 175.82 1tm9 n ILE 6 N -5.07 0.00 -0.55 2.81 -0.00 -1.26 0.93 119.36 116.21 1tm9 n ILE 6 Ca 0.08 0.92 0.45 0.00 -0.00 0.00 0.00 62.75 64.20 1tm9 n ILE 6 Cb 0.28 -1.84 0.73 0.00 -0.00 0.00 0.00 39.64 38.81 1tm9 n ILE 6 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1tm9 n LYS 7 N -0.49 -0.02 0.10 0.38 4.81 -1.20 0.18 118.16 121.92 1tm9 n LYS 7 Ca 0.00 1.20 -0.13 0.00 -0.87 0.00 0.00 58.31 58.51 1tm9 n LYS 7 Cb 0.00 -2.49 -0.08 0.00 0.02 0.00 0.00 35.03 32.48 1tm9 n LYS 7 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1tm9 h GLU 8 N 0.00 -0.22 -0.23 1.64 4.81 0.89 -2.17 114.58 119.31 1tm9 h GLU 8 Ca 0.90 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 60.22 1tm9 h GLU 8 Cb 3.17 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 32.59 1tm9 h GLU 8 CO -0.32 0.03 0.41 -0.56 -0.73 0.00 0.00 179.01 177.85 1tm9 h GLN 9 N -0.45 0.00 -0.00 1.92 3.07 0.87 0.17 115.11 120.69 1tm9 h GLN 9 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.69 1tm9 h GLN 9 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1tm9 h GLN 9 CO 0.04 0.00 -0.10 -0.07 0.09 0.00 0.00 178.83 178.79 1tm9 h LEU 10 N 0.00 0.09 0.18 0.06 3.38 -0.81 -2.75 115.31 115.46 1tm9 h LEU 10 Ca 0.11 -0.78 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 1tm9 h LEU 10 Cb 0.93 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1tm9 h LEU 10 CO -0.00 0.86 -0.28 0.40 0.09 0.00 0.00 178.44 179.51 1tm9 h ILE 11 N -0.67 0.00 -0.79 1.22 5.03 -0.21 -0.74 117.51 121.35 1tm9 h ILE 11 Ca -0.01 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.83 1tm9 h ILE 11 Cb 0.87 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.54 1tm9 h ILE 11 CO 0.02 0.00 -0.46 0.28 -0.68 0.00 0.00 178.15 177.31 1tm9 h SER 12 N -0.48 -1.65 0.00 1.72 0.02 -1.52 1.62 113.55 113.26 1tm9 h SER 12 Ca -0.02 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1tm9 h SER 12 Cb 0.44 0.77 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1tm9 h SER 12 CO -0.09 -0.30 0.00 0.49 -1.14 0.00 0.00 176.83 175.79 1tm9 n PHE 13 N -5.39 0.00 -0.33 3.45 3.01 -1.02 -0.34 117.46 116.85 1tm9 n PHE 13 Ca 0.04 0.00 0.23 0.00 1.01 0.00 0.00 57.45 58.73 1tm9 n PHE 13 Cb 0.34 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.27 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 0.77 -0.87 1.38 3.04 -1.00 1.63 116.94 121.89 1tm9 h PHE 14 Ca 0.00 0.04 0.16 0.00 3.98 0.00 0.00 57.97 62.15 1tm9 h PHE 14 Cb 0.00 -0.18 -0.07 0.00 2.56 0.00 0.00 35.95 38.27 1tm9 h PHE 14 CO 0.00 -0.25 0.57 -0.97 -2.02 0.00 0.00 178.31 175.64 1tm9 h ASN 15 N 0.23 0.53 0.00 0.41 -1.24 0.27 1.51 115.58 117.30 1tm9 h ASN 15 Ca 0.72 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.77 1tm9 h ASN 15 Cb 1.66 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.65 1tm9 h ASN 15 CO -0.66 0.25 0.00 0.00 -1.29 0.00 0.00 177.43 175.73 1tm9 n GLN 16 N -4.54 0.86 0.00 6.67 6.02 0.55 -3.95 117.38 122.99 1tm9 n GLN 16 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1tm9 n GLN 16 Cb 0.55 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 -0.97 0.00 -1.00 -1.58 0.00 0.51 -4.84 120.51 112.63 1tm9 n ALA 17 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1tm9 n ALA 17 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 0.00 0.00 -1.52 0.00 7.64 -1.26 -4.95 113.62 113.52 1tm9 n SER 19 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1tm9 n SER 19 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.55 0.00 -0.05 0.44 -2.24 -1.26 -5.03 114.28 105.58 1tm9 n THR 20 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1tm9 n THR 20 Cb 0.00 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 67.02 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 -0.11 -0.02 -1.81 4.78 3.86 -2.02 -3.28 115.15 116.54 1tm9 h HIS 21 Ca 0.00 -0.00 0.54 0.00 -1.16 0.00 0.00 60.37 59.75 1tm9 h HIS 21 Cb 0.00 0.01 -0.09 0.00 1.06 0.00 0.00 27.41 28.39 1tm9 h HIS 21 CO 0.00 0.30 1.29 1.04 0.86 0.00 0.00 177.93 181.42 1tm9 n GLN 22 N -4.74 -0.01 -0.31 2.45 6.02 -1.26 0.11 117.38 119.64 1tm9 n GLN 22 Ca -0.03 1.09 0.16 0.00 -0.01 0.00 0.00 57.00 58.21 1tm9 n GLN 22 Cb 0.16 -2.43 0.35 0.00 1.02 0.00 0.00 30.24 29.34 1tm9 n GLN 22 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1tm9 h GLU 23 N 0.00 0.23 -0.38 -1.09 4.39 -1.96 0.48 114.58 116.26 1tm9 h GLU 23 Ca 0.91 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.66 1tm9 h GLU 23 Cb 3.51 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 32.04 1tm9 h GLU 23 CO -0.10 0.15 -0.05 0.00 -1.16 0.00 0.00 179.01 177.85 1tm9 h ARG 24 N 0.24 0.04 0.00 2.33 3.08 0.54 0.92 114.38 121.53 1tm9 h ARG 24 Ca 0.61 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.66 1tm9 h ARG 24 Cb 1.29 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1tm9 h ARG 24 CO -0.65 0.03 0.00 -0.07 -1.07 0.00 0.00 179.97 178.21 1tm9 h LEU 25 N 0.04 0.00 -0.08 3.04 3.38 -0.35 -1.28 115.31 120.06 1tm9 h LEU 25 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1tm9 h LEU 25 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1tm9 h LEU 25 CO -0.35 0.00 -0.49 -0.67 0.09 0.00 0.00 178.44 177.02 1tm9 n ASP 26 N -2.71 0.62 -0.08 -0.43 2.03 0.14 -4.13 116.55 111.98 1tm9 n ASP 26 Ca 0.02 -0.40 -0.09 0.00 0.52 0.00 0.00 54.79 54.84 1tm9 n ASP 26 Cb 0.30 0.27 -0.04 0.00 -0.72 0.00 0.00 41.12 40.93 1tm9 n ASP 26 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1tm9 n PHE 27 N -1.36 0.94 -0.57 -0.67 3.01 0.27 -2.06 117.46 117.03 1tm9 n PHE 27 Ca 0.06 0.41 0.47 0.00 1.01 0.00 0.00 57.45 59.40 1tm9 n PHE 27 Cb 0.34 -0.85 0.75 0.00 -0.01 0.00 0.00 39.48 39.71 1tm9 n PHE 27 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 1tm9 h ILE 28 N -1.00 0.05 0.06 4.37 3.07 -1.63 1.91 117.51 124.33 1tm9 h ILE 28 Ca -0.08 0.00 -0.30 0.00 1.55 0.00 0.00 64.86 66.03 1tm9 h ILE 28 Cb 0.70 0.05 -0.03 0.00 -0.27 0.00 0.00 36.82 37.27 1tm9 h ILE 28 CO -0.05 0.00 -1.62 0.00 -1.05 0.00 0.00 178.15 175.43 1tm9 h SER 30 N -0.51 0.71 0.13 0.00 0.87 0.28 0.17 113.55 115.20 1tm9 h SER 30 Ca -0.39 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 1tm9 h SER 30 Cb 1.64 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1tm9 h SER 30 CO -0.08 0.44 -0.08 0.74 -0.53 0.00 0.00 176.83 177.33 1tm9 h THR 31 N 0.84 0.78 -1.12 2.23 2.02 0.19 -2.28 112.91 115.56 1tm9 h THR 31 Ca 0.35 -0.29 -0.58 0.00 0.77 0.00 0.00 66.41 66.66 1tm9 h THR 31 Cb 0.21 1.17 -0.41 0.00 -1.74 0.00 0.00 68.15 67.38 1tm9 h THR 31 CO -0.19 0.07 -0.64 -2.11 0.37 0.00 0.00 175.52 173.02 1tm9 n ARG 32 N -4.05 3.47 -0.97 6.66 1.85 0.41 -4.56 116.66 119.47 1tm9 n ARG 32 Ca -0.03 -4.25 -0.03 0.00 -1.00 0.00 0.00 57.85 52.55 1tm9 n ARG 32 Cb 0.16 -2.27 -0.02 0.00 -1.05 0.00 0.00 32.46 29.29 1tm9 n ARG 32 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1tm9 n GLU 33 N -0.62 0.11 0.00 2.89 -0.00 -0.12 -4.92 120.64 117.99 1tm9 n GLU 33 Ca 0.43 -0.47 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 1tm9 n GLU 33 Cb 0.80 0.44 0.00 0.00 -0.00 0.00 0.00 31.44 32.69 1tm9 n GLU 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1tm9 n SER 34 N -0.13 0.00 0.11 -1.84 3.41 -1.08 -4.88 113.62 109.22 1tm9 n SER 34 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1tm9 n SER 34 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1tm9 n SER 34 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1tm9 n ASP 35 N 0.00 -1.97 0.00 4.04 -0.08 -1.26 -5.12 116.55 112.16 1tm9 n ASP 35 Ca 0.00 0.69 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 1tm9 n ASP 35 Cb 0.00 2.09 0.00 0.00 2.34 0.00 0.00 41.12 45.55 1tm9 n ASP 35 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1tm9 n THR 36 N -3.20 0.00 -0.07 5.18 5.66 -1.26 -5.08 114.28 115.51 1tm9 n THR 36 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1tm9 n THR 36 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 0.00 0.92 1.09 3.72 -1.26 -4.38 117.46 117.55 1tm9 n PHE 37 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1tm9 n PHE 37 Cb 0.00 -0.58 0.48 0.00 -0.94 0.00 0.00 39.48 38.43 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 -2.83 0.00 0.01 4.37 2.88 -1.26 -2.28 113.62 114.51 1tm9 n SER 38 Ca -0.25 -0.07 -0.17 0.00 -1.33 0.00 0.00 58.87 57.05 1tm9 n SER 38 Cb 0.81 -0.24 -0.14 0.00 -0.75 0.00 0.00 64.21 63.89 1tm9 n SER 38 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1tm9 h SER 39 N 0.00 0.29 -3.38 -3.46 0.02 -1.93 -3.47 113.55 101.62 1tm9 h SER 39 Ca 0.00 -0.61 -0.55 0.00 -0.84 0.00 0.00 61.79 59.80 1tm9 h SER 39 Cb 0.15 -0.09 0.20 0.00 0.14 0.00 0.00 62.40 62.79 1tm9 h SER 39 CO 0.00 1.54 -0.41 0.52 -1.14 0.00 0.00 176.83 177.34 1tm9 n VAL 40 N -3.35 1.09 0.37 2.27 0.31 -0.97 -4.92 118.33 113.14 1tm9 n VAL 40 Ca -0.25 -0.30 -0.14 0.00 -0.01 0.00 0.00 64.34 63.64 1tm9 n VAL 40 Cb 1.05 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 33.18 1tm9 n VAL 40 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1tm9 h ASP 41 N -0.90 -0.79 -0.96 4.52 3.58 -1.91 -3.43 116.42 116.52 1tm9 h ASP 41 Ca -0.45 0.03 -0.70 0.00 0.42 0.00 0.00 57.03 56.33 1tm9 h ASP 41 Cb 1.32 0.20 0.08 0.00 1.72 0.00 0.00 39.33 42.65 1tm9 h ASP 41 CO 0.39 -0.56 -0.25 0.55 -2.88 0.00 0.00 179.24 176.49 1tm9 n VAL 42 N -4.51 1.05 -2.54 2.25 3.14 -1.26 -4.86 118.33 111.60 1tm9 n VAL 42 Ca -0.12 -0.26 -0.35 0.00 -2.96 0.00 0.00 64.34 60.65 1tm9 n VAL 42 Cb 0.37 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.11 1tm9 n VAL 42 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1tm9 s PRO 43 N -0.53 4.02 0.27 1.45 0.04 -1.26 -4.95 135.00 134.04 1tm9 s PRO 43 Ca 0.73 1.45 0.17 0.00 0.04 0.00 0.00 61.00 63.40 1tm9 s PRO 43 Cb -1.04 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 31.21 1tm9 s PRO 43 CO 0.54 -0.26 1.36 -0.07 0.04 0.00 0.00 177.00 178.61 1tm9 h LEU 44 N 2.12 0.00 -0.17 -3.56 3.38 -1.90 -2.96 115.31 112.21 1tm9 h LEU 44 Ca -0.49 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.53 1tm9 h LEU 44 Cb 1.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1tm9 h LEU 44 CO 0.61 0.39 -0.45 -0.33 0.09 0.00 0.00 178.44 178.76 1tm9 h GLU 45 N 0.00 -0.47 -0.03 1.13 5.08 -1.98 0.91 114.58 119.21 1tm9 h GLU 45 Ca -0.03 0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1tm9 h GLU 45 Cb 1.32 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.69 1tm9 h GLU 45 CO 0.05 -0.31 -0.57 -1.00 -1.00 0.00 0.00 179.01 176.18 1tm9 h PRO 46 N -0.49 0.44 -0.92 2.33 0.13 -1.89 -3.18 132.00 128.43 1tm9 h PRO 46 Ca 0.08 -0.43 0.19 0.00 -0.87 0.00 0.00 66.00 64.97 1tm9 h PRO 46 Cb 0.63 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 31.80 1tm9 h PRO 46 CO -0.43 1.08 0.60 0.82 -0.23 0.00 0.00 178.00 179.84 1tm9 h ILE 47 N -0.03 0.71 0.00 -3.56 1.08 -1.32 1.74 117.51 116.12 1tm9 h ILE 47 Ca -0.06 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1tm9 h ILE 47 Cb 1.25 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1tm9 h ILE 47 CO 0.11 0.09 0.00 0.29 -0.69 0.00 0.00 178.15 177.96 1tm9 n LYS 48 N -4.56 0.08 -0.01 2.37 5.02 0.31 0.11 118.16 121.49 1tm9 n LYS 48 Ca 0.20 0.46 -0.16 0.00 -2.02 0.00 0.00 58.31 56.79 1tm9 n LYS 48 Cb 0.64 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1tm9 n LYS 48 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1tm9 n ASN 49 N -1.88 1.60 0.07 4.39 5.15 0.59 -3.93 115.26 121.25 1tm9 n ASN 49 Ca 0.01 0.30 -0.14 0.00 -0.60 0.00 0.00 54.58 54.14 1tm9 n ASN 49 Cb 0.10 -0.53 -0.14 0.00 -0.53 0.00 0.00 39.78 38.69 1tm9 n ASN 49 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1tm9 h ILE 50 N 0.04 1.33 -0.64 -1.44 3.07 -0.69 -3.24 117.51 115.94 1tm9 h ILE 50 Ca -0.37 -2.98 0.18 0.00 1.55 0.00 0.00 64.86 63.24 1tm9 h ILE 50 Cb 2.03 2.80 -0.03 0.00 -0.27 0.00 0.00 36.82 41.35 1tm9 h ILE 50 CO 0.09 0.84 0.45 0.40 -1.05 0.00 0.00 178.15 178.88 1tm9 h ILE 51 N 0.05 0.70 -0.47 0.16 2.04 0.58 0.14 117.51 120.72 1tm9 h ILE 51 Ca -0.17 -0.02 -0.32 0.00 1.00 0.00 0.00 64.86 65.35 1tm9 h ILE 51 Cb 1.96 0.65 -0.13 0.00 -0.74 0.00 0.00 36.82 38.55 1tm9 h ILE 51 CO 0.16 0.01 0.41 -1.84 0.00 0.00 0.00 178.15 176.89 1tm9 n GLU 52 N -4.37 1.79 -0.04 2.37 0.28 -1.22 -3.71 120.64 115.73 1tm9 n GLU 52 Ca 0.12 -1.53 -0.04 0.00 -0.16 0.00 0.00 57.16 55.55 1tm9 n GLU 52 Cb 0.67 -1.60 -0.07 0.00 1.43 0.00 0.00 31.44 31.87 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 0.39 0.59 -1.07 3.84 0.13 0.49 -4.50 119.36 119.22 1tm9 n ILE 53 Ca 0.29 -0.37 -0.03 0.00 -1.10 0.00 0.00 62.75 61.54 1tm9 n ILE 53 Cb 0.57 -0.71 0.30 0.00 -0.84 0.00 0.00 39.64 38.96 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 -2.31 2.82 0.25 9.51 -2.24 -1.24 -4.54 114.28 116.53 1tm9 n THR 54 Ca -0.14 -1.76 -0.11 0.00 -2.27 0.00 0.00 64.05 59.76 1tm9 n THR 54 Cb 0.77 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 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 2.49 -0.67 -6.77 -0.78 1.57 -1.79 -3.36 116.57 107.26 1tm9 h LYS 55 Ca 0.22 0.05 -0.57 0.00 -1.87 0.00 0.00 60.65 58.47 1tm9 h LYS 55 Cb 2.15 0.15 0.14 0.00 0.08 0.00 0.00 32.23 34.75 1tm9 h LYS 55 CO 0.63 -0.42 0.28 -0.25 -0.57 0.00 0.00 179.45 179.12 1tm9 n ASP 56 N -5.24 1.61 0.18 0.86 9.92 -1.26 -4.81 116.55 117.81 1tm9 n ASP 56 Ca -0.09 1.00 0.03 0.00 -0.53 0.00 0.00 54.79 55.20 1tm9 n ASP 56 Cb 0.29 -1.42 0.35 0.00 -0.64 0.00 0.00 41.12 39.70 1tm9 n ASP 56 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1tm9 h GLU 57 N 1.45 0.00 0.00 -1.24 9.09 -1.98 -1.49 114.58 120.41 1tm9 h GLU 57 Ca -0.47 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.84 1tm9 h GLU 57 Cb 1.33 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.41 1tm9 h GLU 57 CO 0.56 0.40 -0.47 -0.91 0.05 0.00 0.00 179.01 178.64 1tm9 h ASN 58 N 0.00 0.00 0.13 3.06 4.21 -1.96 -2.30 115.58 118.72 1tm9 h ASN 58 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1tm9 h ASN 58 Cb 0.74 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 1tm9 h ASN 58 CO 0.05 0.47 -0.06 1.56 -1.29 0.00 0.00 177.43 178.16 1tm9 h GLN 59 N 0.00 -0.16 -0.95 0.81 7.50 -1.71 -2.16 115.11 118.44 1tm9 h GLN 59 Ca -0.00 0.01 0.23 0.00 0.50 0.00 0.00 58.65 59.38 1tm9 h GLN 59 Cb 0.99 0.04 -0.07 0.00 0.05 0.00 0.00 27.48 28.49 1tm9 h GLN 59 CO 0.06 0.05 0.63 -0.56 -1.50 0.00 0.00 178.83 177.51 1tm9 h GLN 60 N -1.02 0.36 0.29 1.46 3.07 -1.36 0.78 115.11 118.70 1tm9 h GLN 60 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 1tm9 h GLN 60 Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1tm9 h GLN 60 CO 0.03 0.24 -0.14 0.82 0.09 0.00 0.00 178.83 179.87 1tm9 h ILE 61 N 0.37 0.00 -0.85 1.86 2.04 -1.48 -0.91 117.51 118.54 1tm9 h ILE 61 Ca 0.51 -0.21 0.23 0.00 1.00 0.00 0.00 64.86 66.39 1tm9 h ILE 61 Cb 1.32 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1tm9 h ILE 61 CO -0.20 0.00 0.60 -0.33 0.00 0.00 0.00 178.15 178.22 1tm9 h GLU 62 N -0.60 0.11 0.46 2.37 5.08 -0.71 -0.49 114.58 120.81 1tm9 h GLU 62 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1tm9 h GLU 62 Cb 0.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1tm9 h GLU 62 CO 0.07 0.07 -0.22 0.82 -1.00 0.00 0.00 179.01 178.75 1tm9 h ILE 63 N 0.12 0.46 -0.92 3.13 2.04 0.61 0.17 117.51 123.12 1tm9 h ILE 63 Ca 0.42 -0.42 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1tm9 h ILE 63 Cb 1.47 0.63 -0.15 0.00 -0.74 0.00 0.00 36.82 38.03 1tm9 h ILE 63 CO -0.06 0.06 -0.40 0.00 0.00 0.00 0.00 178.15 177.76 1tm9 h THR 64 N -0.89 0.03 -0.14 -0.27 1.03 0.38 1.04 112.91 114.08 1tm9 h THR 64 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.33 1tm9 h THR 64 Cb 0.58 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.68 1tm9 h THR 64 CO 0.10 0.00 0.05 0.11 -0.01 0.00 0.00 175.52 175.77 1tm9 h LYS 65 N -0.03 0.22 -0.67 0.00 1.57 -1.46 -2.51 116.57 113.67 1tm9 h LYS 65 Ca 0.31 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.19 1tm9 h LYS 65 Cb 0.58 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.75 1tm9 h LYS 65 CO -0.93 0.34 0.08 0.82 -0.57 0.00 0.00 179.45 179.19 1tm9 h ILE 66 N 0.05 0.50 -0.64 1.86 2.04 0.27 0.93 117.51 122.53 1tm9 h ILE 66 Ca 0.05 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1tm9 h ILE 66 Cb 0.21 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 1tm9 h ILE 66 CO -0.00 0.03 0.28 0.00 0.00 0.00 0.00 178.15 178.47 1tm9 h ALA 67 N 1.59 0.85 -0.01 1.87 0.00 0.12 -1.74 119.26 121.93 1tm9 h ALA 67 Ca 0.37 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1tm9 h ALA 67 Cb 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1tm9 h ALA 67 CO -0.52 -0.12 -0.00 0.28 0.00 0.00 0.00 179.25 178.89 1tm9 h VAL 68 N 0.50 1.27 -0.96 0.00 2.07 0.04 0.38 116.25 119.55 1tm9 h VAL 68 Ca 0.32 -0.80 0.29 0.00 0.82 0.00 0.00 66.70 67.33 1tm9 h VAL 68 Cb 0.35 1.78 -0.18 0.00 -1.52 0.00 0.00 31.29 31.72 1tm9 h VAL 68 CO -0.28 0.21 0.12 -3.20 0.02 0.00 0.00 177.57 174.45 1tm9 n ASN 69 N -4.91 -0.02 -0.06 0.57 5.15 0.28 0.21 115.26 116.49 1tm9 n ASN 69 Ca -0.08 1.62 -0.04 0.00 -0.60 0.00 0.00 54.58 55.48 1tm9 n ASN 69 Cb 0.19 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.77 1tm9 n ASN 69 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1tm9 h ASN 70 N 0.00 0.00 -0.80 1.20 -1.24 -1.19 -3.23 115.58 110.31 1tm9 h ASN 70 Ca 0.63 -0.25 0.10 0.00 0.71 0.00 0.00 56.30 57.49 1tm9 h ASN 70 Cb 1.40 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.33 1tm9 h ASN 70 CO -0.87 0.65 -0.49 0.40 -1.29 0.00 0.00 177.43 175.84 1tm9 h ILE 71 N -1.00 0.03 -1.06 2.57 1.08 0.17 1.63 117.51 120.93 1tm9 h ILE 71 Ca -0.01 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.78 1tm9 h ILE 71 Cb 0.29 0.03 -0.13 0.00 -3.07 0.00 0.00 36.82 33.94 1tm9 h ILE 71 CO -0.00 0.00 0.64 0.50 -0.69 0.00 0.00 178.15 178.60 1tm9 h LYS 72 N -0.12 0.34 -0.11 2.37 3.11 0.24 1.55 116.57 123.95 1tm9 h LYS 72 Ca 0.20 -0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.88 1tm9 h LYS 72 Cb 0.52 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1tm9 h LYS 72 CO -0.84 0.23 -0.56 1.15 -2.81 0.00 0.00 179.45 176.62 1tm9 h THR 73 N 0.35 1.36 0.00 1.00 2.02 0.22 -2.43 112.91 115.42 1tm9 h THR 73 Ca 0.70 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1tm9 h THR 73 Cb 1.69 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1tm9 h THR 73 CO -0.48 0.56 0.00 -0.07 0.37 0.00 0.00 175.52 175.90 1tm9 h LEU 74 N 0.26 0.00 -4.05 2.58 3.38 0.55 -2.77 115.31 115.25 1tm9 h LEU 74 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1tm9 h LEU 74 Cb 1.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1tm9 h LEU 74 CO 0.09 0.00 0.02 -0.24 0.09 0.00 0.00 178.44 178.40 1tm9 n SER 75 N -2.34 5.83 0.11 -0.43 2.88 -0.92 -4.00 113.62 114.75 1tm9 n SER 75 Ca -0.01 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1tm9 n SER 75 Cb 0.05 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 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 1.59 -2.02 -3.28 -3.46 2.88 -1.05 -5.09 113.62 103.19 1tm9 n SER 76 Ca 0.40 0.64 -0.11 0.00 -1.33 0.00 0.00 58.87 58.46 1tm9 n SER 76 Cb 0.71 2.11 0.01 0.00 -0.75 0.00 0.00 64.21 66.29 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 -3.09 -2.63 -3.88 2.46 0.31 -1.22 -4.95 118.33 105.32 1tm9 n VAL 77 Ca 0.00 0.39 -0.30 0.00 -0.01 0.00 0.00 64.34 64.42 1tm9 n VAL 77 Cb 0.00 -3.19 -0.15 0.00 -0.91 0.00 0.00 33.84 29.59 1tm9 n VAL 77 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1tm9 s GLY 78 N -1.14 1.26 0.00 2.92 0.00 -1.26 -4.89 107.32 104.21 1tm9 s GLY 78 Ca 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1tm9 s GLY 78 CO 0.26 1.14 0.00 0.00 0.00 0.00 0.00 173.10 174.50 1tm9 n ALA 79 N 4.70 0.00 -2.85 3.20 0.00 -1.26 -5.14 120.51 119.16 1tm9 n ALA 79 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1tm9 n ALA 79 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 1tm9 n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1tm9 s THR 80 N -0.65 0.08 0.01 0.00 -1.32 -1.26 -5.11 115.64 107.39 1tm9 s THR 80 Ca 0.00 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1tm9 s THR 80 Cb 0.00 -0.09 0.00 0.00 -1.51 0.00 0.00 72.50 70.90 1tm9 s THR 80 CO 0.00 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1tm9 n GLY 81 N 2.98 -0.42 2.69 6.08 0.00 -1.26 -4.58 105.19 110.68 1tm9 n GLY 81 Ca -0.13 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 1tm9 n GLY 81 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1tm9 n GLN 82 N -0.93 1.53 -0.34 1.61 7.27 -1.26 -4.85 117.38 120.41 1tm9 n GLN 82 Ca 0.00 -3.02 0.11 0.00 0.07 0.00 0.00 57.00 54.17 1tm9 n GLN 82 Cb 0.01 -1.16 0.30 0.00 2.41 0.00 0.00 30.24 31.81 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1tm9 n TYR 83 N -0.66 0.89 0.00 3.69 4.01 -1.26 -4.96 117.16 118.87 1tm9 n TYR 83 Ca 0.03 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 1tm9 n TYR 83 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 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 1.54 0.00 -0.28 -0.72 2.81 -1.26 -4.24 117.12 114.97 1tm9 n MET 84 Ca 0.23 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.21 1tm9 n MET 84 Cb 0.59 0.00 0.21 0.00 -0.71 0.00 0.00 33.22 33.31 1tm9 n MET 84 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tm9 h ALA 85 N 0.00 0.97 -0.86 3.04 0.00 -1.96 0.40 119.26 120.85 1tm9 h ALA 85 Ca 0.00 0.26 0.17 0.00 0.00 0.00 0.00 54.91 55.34 1tm9 h ALA 85 Cb 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 17.79 18.06 1tm9 h ALA 85 CO 0.00 -0.46 -0.21 0.77 0.00 0.00 0.00 179.25 179.36 1tm9 h SER 86 N 0.11 -0.78 -0.93 0.00 0.02 -1.88 0.59 113.55 110.67 1tm9 h SER 86 Ca 0.48 0.26 0.36 0.00 -0.84 0.00 0.00 61.79 62.05 1tm9 h SER 86 Cb 0.91 0.53 -0.14 0.00 0.14 0.00 0.00 62.40 63.83 1tm9 h SER 86 CO -0.71 -0.28 0.54 0.33 -1.14 0.00 0.00 176.83 175.57 1tm9 n PHE 87 N -5.55 0.84 -0.36 3.45 7.35 0.14 0.33 117.46 123.66 1tm9 n PHE 87 Ca 0.13 0.85 -0.01 0.00 -0.76 0.00 0.00 57.45 57.66 1tm9 n PHE 87 Cb 0.44 -1.27 0.04 0.00 0.35 0.00 0.00 39.48 39.05 1tm9 n PHE 87 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1tm9 h PHE 88 N 0.00 -1.04 -1.11 -5.13 3.04 0.10 1.72 116.94 114.52 1tm9 h PHE 88 Ca 0.71 0.10 0.43 0.00 3.98 0.00 0.00 57.97 63.19 1tm9 h PHE 88 Cb 2.03 0.59 -0.16 0.00 2.56 0.00 0.00 35.95 40.97 1tm9 h PHE 88 CO -0.01 -0.40 0.64 1.03 -2.02 0.00 0.00 178.31 177.55 1tm9 h SER 89 N -0.02 0.30 0.00 0.41 0.87 -0.30 0.53 113.55 115.35 1tm9 h SER 89 Ca 0.34 0.22 -0.31 0.00 -1.23 0.00 0.00 61.79 60.82 1tm9 h SER 89 Cb 0.60 0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 1tm9 h SER 89 CO -0.95 -0.36 -1.74 0.35 -0.53 0.00 0.00 176.83 173.60 1tm9 n THR 90 N -5.08 1.53 -3.59 2.23 -2.24 0.38 -4.68 114.28 102.82 1tm9 n THR 90 Ca 0.38 -0.15 -0.33 0.00 -2.27 0.00 0.00 64.05 61.68 1tm9 n THR 90 Cb 1.34 -2.01 -0.07 0.00 -2.10 0.00 0.00 70.33 67.49 1tm9 n THR 90 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1tm9 n ASN 91 N -4.37 4.03 -0.07 3.42 5.03 0.49 -4.82 115.26 118.97 1tm9 n ASN 91 Ca -0.39 -3.26 -0.22 0.00 0.87 0.00 0.00 54.58 51.58 1tm9 n ASN 91 Cb 0.74 -0.91 -0.12 0.00 -1.02 0.00 0.00 39.78 38.47 1tm9 n ASN 91 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1tm9 h SER 92 N 5.34 0.12 -0.97 6.41 4.64 -0.19 -2.89 113.55 126.01 1tm9 h SER 92 Ca 0.17 -0.64 0.19 0.00 -0.47 0.00 0.00 61.79 61.04 1tm9 h SER 92 Cb 0.74 -0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 62.61 1tm9 h SER 92 CO 0.87 1.57 -0.27 -0.33 -0.87 0.00 0.00 176.83 177.80 1tm9 h GLU 93 N -0.72 -0.00 0.01 4.77 5.08 -1.88 1.16 114.58 123.00 1tm9 h GLU 93 Ca -0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1tm9 h GLU 93 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1tm9 h GLU 93 CO -0.12 -0.00 -0.00 -1.00 -1.00 0.00 0.00 179.01 176.88 1tm9 h PRO 94 N -0.00 -0.01 -0.73 2.33 0.13 -1.97 -2.82 132.00 128.93 1tm9 h PRO 94 Ca 0.44 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.79 1tm9 h PRO 94 Cb 0.69 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 1tm9 h PRO 94 CO -0.99 0.73 0.65 0.00 -0.23 0.00 0.00 178.00 178.16 1tm9 h ALA 95 N 0.22 2.57 0.22 -0.56 0.00 -0.89 0.32 119.26 121.14 1tm9 h ALA 95 Ca -0.00 -0.03 -0.01 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 -1.03 -0.11 0.82 0.00 0.00 0.00 179.25 178.94 1tm9 h ILE 96 N 0.00 0.48 -0.97 0.00 2.04 0.14 -2.57 117.51 116.62 1tm9 h ILE 96 Ca 0.35 -0.97 0.16 0.00 1.00 0.00 0.00 64.86 65.40 1tm9 h ILE 96 Cb 1.64 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 38.45 1tm9 h ILE 96 CO -0.00 0.13 0.61 0.40 0.00 0.00 0.00 178.15 179.29 1tm9 h ILE 97 N -0.98 0.80 0.53 -0.67 5.03 -0.65 -1.62 117.51 119.96 1tm9 h ILE 97 Ca -0.03 -0.27 -0.02 0.00 -0.12 0.00 0.00 64.86 64.42 1tm9 h ILE 97 Cb 0.44 -0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.16 1tm9 h ILE 97 CO 0.05 0.14 -0.37 0.15 -0.68 0.00 0.00 178.15 177.45 1tm9 h PHE 98 N 0.79 -0.98 -0.74 1.37 3.57 -0.51 1.28 116.94 121.72 1tm9 h PHE 98 Ca 0.52 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.18 1tm9 h PHE 98 Cb 0.76 0.36 -0.13 0.00 2.79 0.00 0.00 35.95 39.73 1tm9 h PHE 98 CO -0.00 -0.55 0.03 0.00 -2.23 0.00 0.00 178.31 175.56 1tm9 h VAL 100 N 0.13 1.26 0.00 0.00 2.07 -0.85 0.12 116.25 118.97 1tm9 h VAL 100 Ca 0.41 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1tm9 h VAL 100 Cb 0.72 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1tm9 h VAL 100 CO -0.63 0.35 0.00 -0.38 0.02 0.00 0.00 177.57 176.92 1tm9 n ILE 101 N -4.43 0.00 -0.19 4.57 2.08 0.44 -1.49 119.36 120.33 1tm9 n ILE 101 Ca -0.01 1.44 -0.03 0.00 0.56 0.00 0.00 62.75 64.72 1tm9 n ILE 101 Cb 0.29 -2.41 0.04 0.00 -0.75 0.00 0.00 39.64 36.81 1tm9 n ILE 101 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 1tm9 h TYR 102 N 0.00 -0.52 -0.96 1.39 3.20 0.78 0.22 116.97 121.08 1tm9 h TYR 102 Ca 0.00 0.06 0.28 0.00 3.14 0.00 0.00 58.73 62.21 1tm9 h TYR 102 Cb 0.00 0.32 -0.14 0.00 1.54 0.00 0.00 36.73 38.45 1tm9 h TYR 102 CO 0.13 -0.31 0.48 0.35 -1.64 0.00 0.00 178.16 177.17 1tm9 h PHE 103 N -0.07 0.78 -0.13 -3.82 3.04 -0.72 0.52 116.94 116.53 1tm9 h PHE 103 Ca 0.27 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.25 1tm9 h PHE 103 Cb 0.49 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 1tm9 h PHE 103 CO -0.54 -0.14 0.04 -0.07 -2.02 0.00 0.00 178.31 175.58 1tm9 h LEU 104 N 0.34 0.20 -1.22 0.59 3.38 0.53 0.25 115.31 119.38 1tm9 h LEU 104 Ca 0.66 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.42 1tm9 h LEU 104 Cb 1.41 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1tm9 h LEU 104 CO -0.59 0.37 0.51 1.88 0.09 0.00 0.00 178.44 180.70 1tm9 h TYR 105 N 0.02 0.99 -0.29 1.13 0.05 0.45 1.04 116.97 120.36 1tm9 h TYR 105 Ca 0.04 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.67 1tm9 h TYR 105 Cb 0.24 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.65 1tm9 h TYR 105 CO 0.00 0.63 -0.52 1.25 -1.05 0.00 0.00 178.16 178.47 1tm9 h HIS 106 N 1.06 1.03 0.00 4.88 2.76 0.05 -2.94 115.15 121.99 1tm9 h HIS 106 Ca 0.29 -0.36 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1tm9 h HIS 106 Cb -0.11 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 1tm9 h HIS 106 CO 0.00 1.17 -0.20 0.74 -1.30 0.00 0.00 177.93 178.34 1tm9 h PHE 107 N 0.65 0.00 -1.55 5.26 -1.00 0.28 -3.49 116.94 117.09 1tm9 h PHE 107 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1tm9 h PHE 107 Cb 1.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1tm9 h PHE 107 CO 0.07 0.20 0.00 0.41 -1.61 0.00 0.00 178.31 177.37 1tm9 n GLY 108 N 0.82 -1.56 2.15 -1.45 0.00 0.35 -4.98 105.19 100.52 1tm9 n GLY 108 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.04 -3.93 -1.55 1.61 3.72 -0.95 -4.97 117.46 111.43 1tm9 n PHE 109 Ca 0.00 1.05 -0.40 0.00 -0.05 0.00 0.00 57.45 58.06 1tm9 n PHE 109 Cb 0.00 2.79 0.02 0.00 -0.94 0.00 0.00 39.48 41.35 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 -3.12 1.90 -4.77 4.37 4.77 -1.26 -4.90 117.00 113.99 1tm9 n LEU 110 Ca 0.00 0.90 -0.38 0.00 -0.03 0.00 0.00 56.01 56.49 1tm9 n LEU 110 Cb 0.00 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 39.79 1tm9 n LEU 110 CO 0.00 -2.19 0.82 -1.59 -1.33 0.00 0.00 177.39 173.11 1tm9 s LYS 111 N -2.10 4.18 -0.30 3.23 0.00 -1.26 -4.88 119.74 118.62 1tm9 s LYS 111 Ca 0.67 1.80 -0.08 0.00 0.00 0.00 0.00 55.97 58.36 1tm9 s LYS 111 Cb -0.51 -2.75 0.18 0.00 0.00 0.00 0.00 37.83 34.75 1tm9 s LYS 111 CO 0.54 -0.20 0.89 0.34 0.00 0.00 0.00 175.35 176.92 1tm9 s ASP 112 N -1.13 -0.81 1.00 0.03 -1.08 -1.26 -4.98 116.67 108.44 1tm9 s ASP 112 Ca 0.55 0.38 -0.17 0.00 -0.52 0.00 0.00 52.55 52.78 1tm9 s ASP 112 Cb -0.30 1.63 -0.05 0.00 -1.46 0.00 0.00 42.92 42.74 1tm9 s ASP 112 CO 0.38 -0.15 -0.35 0.59 0.52 0.00 0.00 175.17 176.16 1tm9 n ASN 113 N 5.40 -3.57 -4.49 -0.34 4.13 -1.26 -4.51 115.26 110.61 1tm9 n ASN 113 Ca -0.01 0.16 -0.42 0.00 1.68 0.00 0.00 54.58 55.98 1tm9 n ASN 113 Cb 0.54 -0.92 -0.10 0.00 -1.54 0.00 0.00 39.78 37.76 1tm9 n ASN 113 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1tm9 n ASN 114 N 0.89 1.18 0.00 6.41 4.13 -1.26 -3.10 115.26 123.52 1tm9 n ASN 114 Ca 0.02 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1tm9 n ASN 114 Cb 0.59 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 1tm9 n ASN 114 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1tm9 n LYS 115 N 8.55 0.00 -4.14 3.52 4.81 -1.26 -5.00 118.16 124.63 1tm9 n LYS 115 Ca 0.53 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.64 1tm9 n LYS 115 Cb 0.21 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.23 1tm9 n LYS 115 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1tm9 n LYS 116 N 0.00 -3.27 0.00 1.64 2.85 -1.18 -4.83 118.16 113.37 1tm9 n LYS 116 Ca 0.00 0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.64 1tm9 n LYS 116 Cb 0.00 -4.94 0.00 0.00 -0.65 0.00 0.00 35.03 29.44 1tm9 n LYS 116 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1tm9 n GLN 117 N -4.41 0.00 0.00 -1.58 6.02 -1.26 -4.42 117.38 111.72 1tm9 n GLN 117 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1tm9 n GLN 117 Cb 0.55 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.81 1tm9 n GLN 117 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1tm9 n ILE 118 N 0.00 0.00 0.12 5.09 3.06 -1.26 0.14 119.36 126.52 1tm9 n ILE 118 Ca 0.00 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.20 1tm9 n ILE 118 Cb 0.00 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.16 1tm9 n ILE 118 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1tm9 h ILE 119 N 0.00 0.00 -0.98 9.51 1.08 -1.96 -2.12 117.51 123.04 1tm9 h ILE 119 Ca 0.00 -0.06 0.14 0.00 -0.39 0.00 0.00 64.86 64.55 1tm9 h ILE 119 Cb 0.00 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.60 1tm9 h ILE 119 CO 0.00 0.00 -0.42 1.17 -0.69 0.00 0.00 178.15 178.21 1tm9 n LYS 120 N -3.02 -0.27 -0.28 2.37 4.81 0.38 0.20 118.16 122.35 1tm9 n LYS 120 Ca -0.04 1.50 0.09 0.00 -0.87 0.00 0.00 58.31 58.99 1tm9 n LYS 120 Cb 0.13 -2.22 0.23 0.00 0.02 0.00 0.00 35.03 33.19 1tm9 n LYS 120 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1tm9 h LYS 121 N 0.00 0.16 0.32 1.64 3.11 -0.79 0.88 116.57 121.90 1tm9 h LYS 121 Ca 0.30 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.12 1tm9 h LYS 121 Cb 0.55 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1tm9 h LYS 121 CO -0.96 0.11 -0.15 0.00 -2.81 0.00 0.00 179.45 175.64 1tm9 h ALA 122 N 1.75 -1.02 -1.30 5.00 0.00 0.30 0.14 119.26 124.12 1tm9 h ALA 122 Ca 0.49 -0.09 0.38 0.00 0.00 0.00 0.00 54.91 55.69 1tm9 h ALA 122 Cb 0.93 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1tm9 h ALA 122 CO -0.66 -0.99 0.90 1.88 0.00 0.00 0.00 179.25 180.39 1tm9 h TYR 123 N -0.47 0.26 -0.04 0.00 0.05 0.07 1.54 116.97 118.39 1tm9 h TYR 123 Ca -0.04 0.01 -0.19 0.00 0.05 0.00 0.00 58.73 58.56 1tm9 h TYR 123 Cb 0.33 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1tm9 h TYR 123 CO 0.13 -0.03 -0.79 0.93 -1.05 0.00 0.00 178.16 177.35 1tm9 h GLU 124 N 0.11 0.30 0.00 4.88 4.39 0.10 0.38 114.58 124.74 1tm9 h GLU 124 Ca 0.68 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 60.07 1tm9 h GLU 124 Cb 2.39 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 31.10 1tm9 h GLU 124 CO -0.16 0.95 -0.13 0.00 -1.16 0.00 0.00 179.01 178.51 1tm9 h THR 125 N 0.19 0.67 0.00 1.13 1.03 0.50 0.11 112.91 116.55 1tm9 h THR 125 Ca -0.04 -0.55 -0.21 0.00 -0.01 0.00 0.00 66.41 65.60 1tm9 h THR 125 Cb 1.38 1.34 -0.03 0.00 -1.07 0.00 0.00 68.15 69.78 1tm9 h THR 125 CO 0.13 0.13 -1.49 -0.38 -0.01 0.00 0.00 175.52 173.90 1tm9 n ILE 126 N -3.76 1.50 0.07 0.00 5.41 -0.80 -2.32 119.36 119.46 1tm9 n ILE 126 Ca -0.02 -0.06 0.21 0.00 1.00 0.00 0.00 62.75 63.88 1tm9 n ILE 126 Cb 0.24 -2.13 0.69 0.00 -0.71 0.00 0.00 39.64 37.73 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 -0.88 2.19 0.00 -1.39 0.00 -0.24 1.50 119.26 120.43 1tm9 h ALA 127 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1tm9 h ALA 127 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1tm9 h ALA 127 CO -0.19 -0.82 -0.49 -3.47 0.00 0.00 0.00 179.25 174.29 1tm9 n ASP 128 N -3.54 1.68 -0.19 0.00 2.03 0.02 -3.81 116.55 112.75 1tm9 n ASP 128 Ca 0.09 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.01 1tm9 n ASP 128 Cb 0.76 -0.84 0.09 0.00 -0.72 0.00 0.00 41.12 40.41 1tm9 n ASP 128 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1tm9 h ASN 129 N -0.93 -0.24 0.00 1.67 -1.24 -0.94 1.45 115.58 115.36 1tm9 h ASN 129 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1tm9 h ASN 129 Cb 0.49 0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1tm9 h ASN 129 CO 0.00 -0.10 0.23 -0.29 -1.29 0.00 0.00 177.43 175.99 1tm9 h ILE 130 N 0.13 0.00 -0.23 2.57 2.10 0.19 1.44 117.51 123.70 1tm9 h ILE 130 Ca 0.31 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.25 1tm9 h ILE 130 Cb 0.49 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1tm9 h ILE 130 CO -0.50 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 176.57 1tm9 n ALA 131 N -1.92 2.51 -0.02 0.18 0.00 0.50 -2.91 120.51 118.85 1tm9 n ALA 131 Ca -0.02 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1tm9 n ALA 131 Cb 0.28 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 1.39 0.28 0.60 0.00 1.82 0.20 -3.37 116.42 117.34 1tm9 h ASP 132 Ca 0.00 -0.79 -0.28 0.00 -0.39 0.00 0.00 57.03 55.57 1tm9 h ASP 132 Cb 0.38 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.26 1tm9 h ASP 132 CO 0.02 1.63 -1.52 0.10 -1.61 0.00 0.00 179.24 177.85 1tm9 h TYR 133 N -0.41 0.06 0.00 0.28 -0.00 -1.69 -3.39 116.97 111.82 1tm9 h TYR 133 Ca -0.34 -0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.35 1tm9 h TYR 133 Cb 1.69 -0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.42 1tm9 h TYR 133 CO 0.11 1.07 0.00 1.28 -0.00 0.00 0.00 178.16 180.62 1tm9 n LEU 134 N -3.18 0.00 -3.25 0.10 4.77 -1.14 -4.89 117.00 109.41 1tm9 n LEU 134 Ca -0.13 0.68 -0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1tm9 n LEU 134 Cb 1.02 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.94 1tm9 n LEU 134 CO 0.46 -0.18 0.18 0.59 -1.33 0.00 0.00 177.39 177.11 1tm9 n ASN 135 N -1.53 -7.01 -3.54 -1.43 3.02 -1.26 -3.63 115.26 99.88 1tm9 n ASN 135 Ca 0.00 -0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 53.97 1tm9 n ASN 135 Cb 0.00 -4.55 0.01 0.00 -0.61 0.00 0.00 39.78 34.63 1tm9 n ASN 135 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tm9 n GLU 136 N -2.24 -1.64 -0.42 3.52 -0.58 -1.26 -5.18 120.64 112.84 1tm9 n GLU 136 Ca -0.07 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.79 1tm9 n GLU 136 Cb 0.55 -3.07 0.00 0.00 -0.57 0.00 0.00 31.44 28.35 1tm9 n GLU 136 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94