#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 2.83 0.00 2.12 4.04 -1.26 -5.01 118.70 121.42 1tm9 s GLU 2 Ca 0.00 -1.17 0.00 0.00 0.04 0.00 0.00 54.97 53.84 1tm9 s GLU 2 Cb 0.00 -2.53 0.00 0.00 0.02 0.00 0.00 34.13 31.62 1tm9 s GLU 2 CO 0.00 0.25 0.00 1.04 -1.84 0.00 0.00 175.26 174.71 1tm9 n GLN 3 N -1.28 0.00 -1.09 -4.83 6.02 -1.26 -5.16 117.38 109.78 1tm9 n GLN 3 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1tm9 n GLN 3 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 1tm9 n GLN 3 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1tm9 n ASN 4 N 0.00 0.00 0.00 1.08 2.85 -1.26 -4.97 115.26 112.96 1tm9 n ASN 4 Ca 0.00 -0.66 0.00 0.00 -0.11 0.00 0.00 54.58 53.81 1tm9 n ASN 4 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1tm9 n ASN 4 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1tm9 n ASN 5 N -0.22 0.00 0.14 1.20 4.13 -1.26 -4.60 115.26 114.65 1tm9 n ASN 5 Ca 0.00 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.20 1tm9 n ASN 5 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1tm9 n ASN 5 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1tm9 h ILE 6 N 0.00 0.00 -0.85 2.41 1.08 -1.99 0.89 117.51 119.05 1tm9 h ILE 6 Ca 0.00 -0.01 0.21 0.00 -0.39 0.00 0.00 64.86 64.67 1tm9 h ILE 6 Cb 0.00 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.63 1tm9 h ILE 6 CO 0.00 0.00 0.29 0.50 -0.69 0.00 0.00 178.15 178.25 1tm9 h LYS 7 N -0.37 0.30 -0.27 2.37 3.11 -1.99 0.29 116.57 120.01 1tm9 h LYS 7 Ca -0.04 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1tm9 h LYS 7 Cb 0.28 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1tm9 h LYS 7 CO 0.06 0.20 0.15 1.49 -2.81 0.00 0.00 179.45 178.55 1tm9 h GLU 8 N 0.31 0.37 -1.00 1.90 4.57 -1.77 -2.11 114.58 116.86 1tm9 h GLU 8 Ca 0.52 -0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.88 1tm9 h GLU 8 Cb 0.97 -0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.39 1tm9 h GLU 8 CO -0.56 0.31 0.62 1.96 -1.18 0.00 0.00 179.01 180.17 1tm9 h GLN 9 N 0.33 0.56 -0.23 1.92 1.08 0.45 0.23 115.11 119.44 1tm9 h GLN 9 Ca 0.10 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1tm9 h GLN 9 Cb 0.04 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1tm9 h GLN 9 CO -0.02 0.37 0.09 -0.07 -0.95 0.00 0.00 178.83 178.25 1tm9 h LEU 10 N 0.57 0.33 0.36 1.46 3.38 -0.64 -2.82 115.31 117.95 1tm9 h LEU 10 Ca 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1tm9 h LEU 10 Cb 1.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1tm9 h LEU 10 CO -0.33 0.42 -0.48 0.40 0.09 0.00 0.00 178.44 178.53 1tm9 h ILE 11 N 0.22 0.00 -0.82 1.22 5.03 -0.24 -2.29 117.51 120.63 1tm9 h ILE 11 Ca 0.08 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.91 1tm9 h ILE 11 Cb 0.20 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 33.88 1tm9 h ILE 11 CO -0.01 0.00 -0.44 -0.24 -0.68 0.00 0.00 178.15 176.78 1tm9 n SER 12 N -5.30 -0.78 0.00 1.72 2.88 -0.46 0.20 113.62 111.88 1tm9 n SER 12 Ca -0.10 1.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1tm9 n SER 12 Cb 0.42 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1tm9 n SER 12 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1tm9 n PHE 13 N -5.08 0.00 -0.34 0.66 3.72 -0.97 -1.91 117.46 113.54 1tm9 n PHE 13 Ca 0.04 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.53 1tm9 n PHE 13 Cb 0.25 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.98 1tm9 n PHE 13 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1tm9 n PHE 14 N -0.26 0.46 -0.33 1.38 7.35 -0.90 0.19 117.46 125.35 1tm9 n PHE 14 Ca 0.00 1.16 0.30 0.00 -0.76 0.00 0.00 57.45 58.15 1tm9 n PHE 14 Cb 0.00 -1.13 0.56 0.00 0.35 0.00 0.00 39.48 39.27 1tm9 n PHE 14 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1tm9 h ASN 15 N 0.00 0.36 -0.35 -2.13 -1.24 0.24 1.36 115.58 113.83 1tm9 h ASN 15 Ca 0.51 0.24 -0.23 0.00 0.71 0.00 0.00 56.30 57.53 1tm9 h ASN 15 Cb 0.92 0.24 -0.09 0.00 0.73 0.00 0.00 38.32 40.11 1tm9 h ASN 15 CO -0.95 -0.37 0.16 0.00 -1.29 0.00 0.00 177.43 174.99 1tm9 n GLN 16 N -5.20 1.68 0.00 6.67 1.13 0.52 -4.05 117.38 118.11 1tm9 n GLN 16 Ca 0.37 -1.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.31 1tm9 n GLN 16 Cb 1.22 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 30.01 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 1.11 0.92 -3.42 -1.58 0.00 0.46 -4.78 120.51 113.22 1tm9 n ALA 17 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 1tm9 n ALA 17 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 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 4.39 0.25 -4.12 0.00 7.64 -1.26 -4.75 113.62 115.78 1tm9 n SER 19 Ca 0.08 0.10 -0.35 0.00 1.01 0.00 0.00 58.87 59.71 1tm9 n SER 19 Cb 0.42 1.52 0.06 0.00 -1.01 0.00 0.00 64.21 65.20 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 -2.40 0.00 -0.01 0.44 -2.24 -1.26 -4.98 114.28 103.84 1tm9 n THR 20 Ca -0.04 -0.37 -0.01 0.00 -2.27 0.00 0.00 64.05 61.37 1tm9 n THR 20 Cb 0.58 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.94 0.00 -0.48 4.78 8.25 -1.26 -4.49 115.22 119.08 1tm9 n HIS 21 Ca 0.00 0.00 0.40 0.00 -0.26 0.00 0.00 57.72 57.86 1tm9 n HIS 21 Cb 0.57 -0.04 0.69 0.00 1.12 0.00 0.00 29.99 32.32 1tm9 n HIS 21 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1tm9 h GLN 22 N -0.09 0.06 -1.03 -0.41 4.20 -2.01 1.37 115.11 117.20 1tm9 h GLN 22 Ca 0.00 -0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.97 1tm9 h GLN 22 Cb 0.09 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.76 1tm9 h GLN 22 CO 0.00 0.04 0.66 0.93 -0.67 0.00 0.00 178.83 179.80 1tm9 h GLU 23 N 0.06 0.39 -0.39 1.46 3.07 -1.97 0.26 114.58 117.46 1tm9 h GLU 23 Ca 0.83 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.71 1tm9 h GLU 23 Cb 2.77 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 30.55 1tm9 h GLU 23 CO -0.33 0.26 0.15 0.00 -1.40 0.00 0.00 179.01 177.69 1tm9 h ARG 24 N 0.40 0.31 0.00 2.33 3.08 0.16 1.51 114.38 122.17 1tm9 h ARG 24 Ca 0.58 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.57 1tm9 h ARG 24 Cb 1.48 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 1tm9 h ARG 24 CO -0.29 0.20 -0.20 -0.07 -1.07 0.00 0.00 179.97 178.54 1tm9 h LEU 25 N 0.32 0.00 0.00 3.04 3.38 -0.63 0.46 115.31 121.87 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 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1tm9 h LEU 25 CO -0.17 0.20 -0.52 -0.78 0.09 0.00 0.00 178.44 177.26 1tm9 h ASP 26 N 0.00 0.00 0.00 -0.43 3.58 -0.10 -3.36 116.42 116.11 1tm9 h ASP 26 Ca -0.00 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 1tm9 h ASP 26 Cb 0.39 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 1tm9 h ASP 26 CO 0.03 0.09 -0.19 0.15 -2.88 0.00 0.00 179.24 176.43 1tm9 h PHE 27 N 0.00 0.00 -1.91 0.28 3.57 0.39 -2.00 116.94 117.28 1tm9 h PHE 27 Ca 0.00 0.00 0.55 0.00 3.53 0.00 0.00 57.97 62.05 1tm9 h PHE 27 Cb 0.75 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 1tm9 h PHE 27 CO 0.00 0.13 1.41 0.44 -2.23 0.00 0.00 178.31 178.06 1tm9 n ILE 28 N -4.71 0.00 0.00 1.41 -5.35 -0.04 0.22 119.36 110.89 1tm9 n ILE 28 Ca -0.04 1.47 0.00 0.00 -0.27 0.00 0.00 62.75 63.91 1tm9 n ILE 28 Cb 0.14 -2.46 0.00 0.00 -1.74 0.00 0.00 39.64 35.57 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 0.00 -0.06 -1.02 0.00 0.02 -0.21 1.48 113.55 113.76 1tm9 h SER 30 Ca 0.00 0.24 0.26 0.00 -0.84 0.00 0.00 61.79 61.45 1tm9 h SER 30 Cb 0.00 0.34 -0.12 0.00 0.14 0.00 0.00 62.40 62.77 1tm9 h SER 30 CO 0.00 -0.30 0.62 0.74 -1.14 0.00 0.00 176.83 176.75 1tm9 h THR 31 N 0.09 0.52 -0.62 -2.27 2.02 0.26 1.46 112.91 114.37 1tm9 h THR 31 Ca 0.66 -0.17 -0.20 0.00 0.77 0.00 0.00 66.41 67.47 1tm9 h THR 31 Cb 1.50 -0.04 -0.12 0.00 -1.74 0.00 0.00 68.15 67.75 1tm9 h THR 31 CO -0.78 0.09 0.25 -1.14 0.37 0.00 0.00 175.52 174.31 1tm9 n ARG 32 N -4.81 3.08 -2.96 6.66 0.63 0.50 -4.27 116.66 115.50 1tm9 n ARG 32 Ca 0.27 -2.44 -0.14 0.00 -0.92 0.00 0.00 57.85 54.62 1tm9 n ARG 32 Cb 0.81 -2.02 0.01 0.00 0.45 0.00 0.00 32.46 31.71 1tm9 n ARG 32 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1tm9 n GLU 33 N -0.13 1.03 -2.93 -0.14 -0.58 0.50 -5.01 120.64 113.38 1tm9 n GLU 33 Ca 0.34 -3.01 0.02 0.00 -0.42 0.00 0.00 57.16 54.09 1tm9 n GLU 33 Cb 1.21 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 1tm9 n GLU 33 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1tm9 s SER 34 N -2.32 -0.76 0.59 1.62 0.01 -1.22 -4.87 113.70 106.75 1tm9 s SER 34 Ca 0.33 -0.37 0.32 0.00 1.31 0.00 0.00 55.95 57.54 1tm9 s SER 34 Cb 0.37 0.99 1.86 0.00 0.21 0.00 0.00 66.02 69.45 1tm9 s SER 34 CO -0.05 -0.09 2.24 -0.78 0.41 0.00 0.00 173.24 174.98 1tm9 h ASP 35 N 6.04 0.00 0.93 2.44 1.82 -1.94 0.74 116.42 126.44 1tm9 h ASP 35 Ca -0.01 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1tm9 h ASP 35 Cb 1.21 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1tm9 h ASP 35 CO -0.01 0.02 -1.12 0.00 -1.61 0.00 0.00 179.24 176.52 1tm9 h THR 36 N 0.00 0.29 0.00 2.25 1.03 -2.00 -3.48 112.91 111.00 1tm9 h THR 36 Ca -0.00 -1.54 0.00 0.00 -0.01 0.00 0.00 66.41 64.86 1tm9 h THR 36 Cb 0.07 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 1tm9 h THR 36 CO 0.00 0.16 0.00 0.49 -0.01 0.00 0.00 175.52 176.17 1tm9 n PHE 37 N -2.83 0.00 0.22 0.00 3.72 0.25 -4.53 117.46 114.29 1tm9 n PHE 37 Ca -0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.49 1tm9 n PHE 37 Cb 0.70 0.00 0.72 0.00 -0.94 0.00 0.00 39.48 39.96 1tm9 n PHE 37 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1tm9 h SER 38 N 0.00 0.00 0.85 4.37 0.02 -1.92 0.37 113.55 117.24 1tm9 h SER 38 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1tm9 h SER 38 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1tm9 h SER 38 CO 0.00 0.00 -0.34 0.28 -1.14 0.00 0.00 176.83 175.63 1tm9 h SER 39 N 0.00 0.00 -3.67 3.07 0.02 -1.90 -3.45 113.55 107.62 1tm9 h SER 39 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1tm9 h SER 39 Cb 0.16 0.00 0.18 0.00 0.14 0.00 0.00 62.40 62.88 1tm9 h SER 39 CO 0.00 0.34 -0.03 0.52 -1.14 0.00 0.00 176.83 176.52 1tm9 n VAL 40 N -3.52 2.33 0.00 2.27 0.31 0.13 -4.98 118.33 114.88 1tm9 n VAL 40 Ca -0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1tm9 n VAL 40 Cb 0.49 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 -1.50 -1.05 -1.56 4.52 2.03 -1.26 -4.87 116.55 112.86 1tm9 n ASP 41 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1tm9 n ASP 41 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1tm9 n ASP 41 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1tm9 n VAL 42 N -2.05 -4.12 -2.55 5.18 3.14 -1.26 -4.86 118.33 111.81 1tm9 n VAL 42 Ca 0.00 1.91 -0.34 0.00 -2.96 0.00 0.00 64.34 62.94 1tm9 n VAL 42 Cb 0.00 -2.67 -0.04 0.00 -1.06 0.00 0.00 33.84 30.07 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 -3.66 3.86 -0.02 1.45 0.04 -1.26 -4.98 135.00 130.42 1tm9 s PRO 43 Ca 0.00 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 1tm9 s PRO 43 Cb 0.00 -2.16 -0.33 0.00 0.04 0.00 0.00 34.50 32.05 1tm9 s PRO 43 CO 0.00 -0.39 0.84 -0.07 0.04 0.00 0.00 177.00 177.42 1tm9 h LEU 44 N 1.70 0.67 -0.75 -3.56 3.38 -1.94 -2.92 115.31 111.89 1tm9 h LEU 44 Ca -0.49 -0.92 0.10 0.00 0.09 0.00 0.00 57.88 56.65 1tm9 h LEU 44 Cb 1.22 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 1tm9 h LEU 44 CO 0.59 1.67 -0.36 -0.62 0.09 0.00 0.00 178.44 179.82 1tm9 n GLU 45 N -3.78 -0.24 -0.02 1.13 1.02 -1.26 0.34 120.64 117.83 1tm9 n GLU 45 Ca -0.20 1.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.97 1tm9 n GLU 45 Cb 1.03 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.65 1tm9 n GLU 45 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1tm9 h PRO 46 N 0.00 -0.05 -1.02 3.49 0.13 -1.87 -3.23 132.00 129.45 1tm9 h PRO 46 Ca 0.20 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.58 1tm9 h PRO 46 Cb 0.39 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.43 1tm9 h PRO 46 CO -0.73 0.60 0.64 0.82 -0.23 0.00 0.00 178.00 179.10 1tm9 h ILE 47 N -0.80 0.56 0.00 -3.56 1.08 -0.84 2.25 117.51 116.21 1tm9 h ILE 47 Ca -0.01 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1tm9 h ILE 47 Cb 0.67 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1tm9 h ILE 47 CO 0.01 0.09 0.00 0.11 -0.69 0.00 0.00 178.15 177.66 1tm9 h LYS 48 N 0.47 0.00 0.16 2.37 1.57 0.58 0.17 116.57 121.88 1tm9 h LYS 48 Ca 0.59 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 59.01 1tm9 h LYS 48 Cb 1.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 1tm9 h LYS 48 CO -0.32 0.00 -1.86 -0.97 -0.57 0.00 0.00 179.45 175.72 1tm9 h ASN 49 N 0.00 0.52 0.05 0.86 -0.73 0.37 -3.30 115.58 113.35 1tm9 h ASN 49 Ca 0.00 -0.95 0.00 0.00 1.87 0.00 0.00 56.30 57.22 1tm9 h ASN 49 Cb 0.02 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.44 1tm9 h ASN 49 CO 0.00 1.82 -0.00 2.30 -0.37 0.00 0.00 177.43 181.18 1tm9 n ILE 50 N -3.55 0.00 0.07 2.57 -5.35 -0.05 -2.69 119.36 110.36 1tm9 n ILE 50 Ca -0.28 -0.01 0.04 0.00 -0.27 0.00 0.00 62.75 62.23 1tm9 n ILE 50 Cb 1.06 -0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.10 0.36 0.00 7.28 2.04 -0.84 -3.28 117.51 123.17 1tm9 h ILE 51 Ca 0.00 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1tm9 h ILE 51 Cb 0.05 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1tm9 h ILE 51 CO 0.00 0.20 0.00 -1.84 0.00 0.00 0.00 178.15 176.51 1tm9 n GLU 52 N -2.85 0.13 -0.12 2.37 -0.00 -1.09 -3.25 120.64 115.83 1tm9 n GLU 52 Ca -0.05 0.13 0.07 0.00 -0.00 0.00 0.00 57.16 57.30 1tm9 n GLU 52 Cb 0.74 -1.66 0.39 0.00 -0.00 0.00 0.00 31.44 30.91 1tm9 n GLU 52 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1tm9 h ILE 53 N 0.00 1.03 -0.59 3.84 6.09 -1.68 0.17 117.51 126.37 1tm9 h ILE 53 Ca 0.00 -0.22 -0.03 0.00 -1.37 0.00 0.00 64.86 63.24 1tm9 h ILE 53 Cb 0.59 0.32 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 1tm9 h ILE 53 CO 0.00 0.12 0.04 0.35 -3.07 0.00 0.00 178.15 175.59 1tm9 n THR 54 N -4.47 2.79 -0.04 2.19 -2.24 -1.20 -4.41 114.28 106.89 1tm9 n THR 54 Ca 0.08 -1.46 -0.12 0.00 -2.27 0.00 0.00 64.05 60.28 1tm9 n THR 54 Cb 0.20 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.07 1tm9 n THR 54 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1tm9 h LYS 55 N 3.76 0.23 -7.20 -0.78 2.10 -0.78 -3.40 116.57 110.51 1tm9 h LYS 55 Ca 0.04 -0.09 -0.49 0.00 -2.00 0.00 0.00 60.65 58.11 1tm9 h LYS 55 Cb 2.02 -0.01 0.05 0.00 -0.90 0.00 0.00 32.23 33.39 1tm9 h LYS 55 CO 0.52 0.55 0.38 -0.51 -2.00 0.00 0.00 179.45 178.39 1tm9 s ASP 56 N -5.84 6.10 0.29 7.07 1.11 -1.26 -4.96 116.67 119.20 1tm9 s ASP 56 Ca -0.14 1.71 0.14 0.00 0.18 0.00 0.00 52.55 54.44 1tm9 s ASP 56 Cb 0.05 -2.52 0.34 0.00 1.07 0.00 0.00 42.92 41.86 1tm9 s ASP 56 CO 0.72 -0.95 1.58 1.05 1.18 0.00 0.00 175.17 178.75 1tm9 h GLU 57 N 0.58 0.00 0.00 8.23 9.09 -1.96 -2.62 114.58 127.91 1tm9 h GLU 57 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1tm9 h GLU 57 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1tm9 h GLU 57 CO 0.59 0.55 0.00 -0.91 0.05 0.00 0.00 179.01 179.29 1tm9 h ASN 58 N 0.00 0.00 0.00 3.06 4.21 -1.96 -2.66 115.58 118.23 1tm9 h ASN 58 Ca -0.01 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 1tm9 h ASN 58 Cb 1.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.37 1tm9 h ASN 58 CO 0.07 0.00 -0.53 1.56 -1.29 0.00 0.00 177.43 177.24 1tm9 h GLN 59 N 0.00 0.00 -0.90 0.81 1.08 -1.75 -3.22 115.11 111.12 1tm9 h GLN 59 Ca 0.00 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.43 1tm9 h GLN 59 Cb 0.49 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.80 1tm9 h GLN 59 CO 0.00 0.20 0.40 -0.56 -0.95 0.00 0.00 178.83 177.92 1tm9 h GLN 60 N -1.00 0.38 0.00 1.46 3.07 -1.51 0.31 115.11 117.82 1tm9 h GLN 60 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1tm9 h GLN 60 Cb 0.57 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1tm9 h GLN 60 CO -0.03 0.25 0.00 -0.89 0.09 0.00 0.00 178.83 178.25 1tm9 n ILE 61 N -5.05 0.00 -0.65 1.86 5.41 -1.01 0.49 119.36 120.42 1tm9 n ILE 61 Ca 0.23 1.21 0.51 0.00 1.00 0.00 0.00 62.75 65.69 1tm9 n ILE 61 Cb 0.67 -2.20 0.81 0.00 -0.71 0.00 0.00 39.64 38.22 1tm9 n ILE 61 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1tm9 h GLU 62 N 0.00 0.00 -0.01 0.38 4.39 -1.49 1.53 114.58 119.38 1tm9 h GLU 62 Ca 0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1tm9 h GLU 62 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1tm9 h GLU 62 CO 0.00 0.00 -0.04 0.82 -1.16 0.00 0.00 179.01 178.63 1tm9 h ILE 63 N 0.00 1.48 -0.46 3.13 2.04 -0.01 -1.50 117.51 122.19 1tm9 h ILE 63 Ca 0.89 -1.46 0.05 0.00 1.00 0.00 0.00 64.86 65.34 1tm9 h ILE 63 Cb 3.55 2.42 -0.07 0.00 -0.74 0.00 0.00 36.82 41.98 1tm9 h ILE 63 CO -0.02 0.38 -0.45 0.74 0.00 0.00 0.00 178.15 178.81 1tm9 h THR 64 N -0.54 0.00 -0.66 -0.27 2.02 0.74 1.07 112.91 115.27 1tm9 h THR 64 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1tm9 h THR 64 Cb 0.65 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1tm9 h THR 64 CO 0.01 0.00 0.40 0.07 0.37 0.00 0.00 175.52 176.37 1tm9 h LYS 65 N -0.22 0.76 -0.53 6.66 -0.00 -1.58 -1.62 116.57 120.04 1tm9 h LYS 65 Ca 0.08 -0.05 0.10 0.00 -0.00 0.00 0.00 60.65 60.78 1tm9 h LYS 65 Cb 0.43 -0.17 -0.08 0.00 -0.00 0.00 0.00 32.23 32.40 1tm9 h LYS 65 CO -0.55 0.51 0.07 0.82 -0.00 0.00 0.00 179.45 180.30 1tm9 h ILE 66 N 0.79 0.65 -0.72 0.07 2.04 0.29 1.27 117.51 121.89 1tm9 h ILE 66 Ca 0.27 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 66.13 1tm9 h ILE 66 Cb 0.04 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1tm9 h ILE 66 CO -0.11 0.04 0.40 0.00 0.00 0.00 0.00 178.15 178.48 1tm9 h ALA 67 N 1.44 0.99 -0.41 1.87 0.00 0.20 -0.87 119.26 122.47 1tm9 h ALA 67 Ca 0.27 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1tm9 h ALA 67 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1tm9 h ALA 67 CO -0.39 0.07 -0.30 0.28 0.00 0.00 0.00 179.25 178.91 1tm9 h VAL 68 N 0.72 1.27 -1.75 0.00 2.07 -0.11 -0.38 116.25 118.07 1tm9 h VAL 68 Ca 0.33 -1.46 0.52 0.00 0.82 0.00 0.00 66.70 66.91 1tm9 h VAL 68 Cb 0.25 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1tm9 h VAL 68 CO -0.21 0.49 1.24 -1.13 0.02 0.00 0.00 177.57 177.99 1tm9 h ASN 69 N 0.77 0.04 0.00 0.57 -0.73 0.29 1.05 115.58 117.58 1tm9 h ASN 69 Ca 0.08 0.03 -0.45 0.00 1.87 0.00 0.00 56.30 57.83 1tm9 h ASN 69 Cb 0.87 0.02 -0.07 0.00 0.27 0.00 0.00 38.32 39.42 1tm9 h ASN 69 CO 0.08 -0.04 -2.51 -3.20 -0.37 0.00 0.00 177.43 171.40 1tm9 n ASN 70 N -4.11 1.96 -0.23 1.15 5.15 -1.03 -4.08 115.26 114.07 1tm9 n ASN 70 Ca 0.41 0.29 0.01 0.00 -0.60 0.00 0.00 54.58 54.69 1tm9 n ASN 70 Cb 1.81 -0.78 0.09 0.00 -0.53 0.00 0.00 39.78 40.38 1tm9 n ASN 70 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1tm9 h ILE 71 N -0.89 0.34 -0.59 -1.44 6.09 0.99 1.62 117.51 123.64 1tm9 h ILE 71 Ca -0.68 -0.01 0.09 0.00 -1.37 0.00 0.00 64.86 62.89 1tm9 h ILE 71 Cb 1.64 0.31 -0.04 0.00 0.47 0.00 0.00 36.82 39.20 1tm9 h ILE 71 CO -0.38 0.01 0.40 0.11 -3.07 0.00 0.00 178.15 175.21 1tm9 h LYS 72 N 0.03 0.41 0.08 2.19 1.79 0.78 0.36 116.57 122.21 1tm9 h LYS 72 Ca 0.34 -0.02 -0.25 0.00 -2.18 0.00 0.00 60.65 58.54 1tm9 h LYS 72 Cb 0.55 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1tm9 h LYS 72 CO -0.67 0.27 -1.15 1.15 -1.08 0.00 0.00 179.45 177.96 1tm9 h THR 73 N 0.42 1.58 0.00 -0.16 2.02 0.16 -3.12 112.91 113.81 1tm9 h THR 73 Ca 0.27 -3.21 0.00 0.00 0.77 0.00 0.00 66.41 64.25 1tm9 h THR 73 Cb 0.51 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 1tm9 h THR 73 CO -0.08 0.92 0.03 -0.07 0.37 0.00 0.00 175.52 176.70 1tm9 h LEU 74 N 0.04 0.00 -3.36 2.58 3.38 0.39 -1.05 115.31 117.29 1tm9 h LEU 74 Ca -0.09 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.56 1tm9 h LEU 74 Cb 1.89 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.49 1tm9 h LEU 74 CO 0.17 0.00 0.41 -1.20 0.09 0.00 0.00 178.44 177.91 1tm9 n SER 75 N -2.57 5.64 -1.08 -0.43 7.64 -0.98 -3.56 113.62 118.27 1tm9 n SER 75 Ca -0.02 -3.02 -0.04 0.00 1.01 0.00 0.00 58.87 56.80 1tm9 n SER 75 Cb 0.08 -0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 62.31 1tm9 n SER 75 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1tm9 n SER 76 N 0.11 -0.70 -4.50 6.43 2.88 -0.40 -5.05 113.62 112.40 1tm9 n SER 76 Ca 0.31 -1.37 -0.44 0.00 -1.33 0.00 0.00 58.87 56.04 1tm9 n SER 76 Cb 0.73 0.24 -0.00 0.00 -0.75 0.00 0.00 64.21 64.42 1tm9 n SER 76 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1tm9 s VAL 77 N 0.02 4.75 0.00 2.46 1.01 -1.23 -4.99 120.40 122.41 1tm9 s VAL 77 Ca 0.01 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.67 1tm9 s VAL 77 Cb 0.05 -4.98 0.00 0.00 0.00 0.00 0.00 36.38 31.45 1tm9 s VAL 77 CO -0.02 -1.73 0.00 0.61 0.00 0.00 0.00 175.10 173.97 1tm9 n GLY 78 N 4.62 -2.94 0.07 4.51 0.00 -1.26 -4.76 105.19 105.44 1tm9 n GLY 78 Ca 0.39 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.44 -1.52 -1.49 4.61 0.00 -1.26 -4.81 120.51 113.60 1tm9 n ALA 79 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1tm9 n ALA 79 Cb 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 1tm9 n ALA 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1tm9 n THR 80 N 1.30 -0.00 0.00 0.00 -2.24 -1.26 -4.39 114.28 107.69 1tm9 n THR 80 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1tm9 n THR 80 Cb 0.00 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 6.54 2.65 2.74 3.38 0.00 -1.26 -4.90 105.19 114.33 1tm9 n GLY 81 Ca 0.63 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 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 0.84 3.63 -2.85 1.61 7.27 -1.26 -4.87 117.38 121.74 1tm9 n GLN 82 Ca 0.00 -4.46 -0.44 0.00 0.07 0.00 0.00 57.00 52.18 1tm9 n GLN 82 Cb 0.00 -2.29 -0.00 0.00 2.41 0.00 0.00 30.24 30.35 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1tm9 s TYR 83 N -3.78 3.28 0.46 3.69 1.51 -1.26 -4.71 117.35 116.55 1tm9 s TYR 83 Ca 0.47 -1.92 0.38 0.00 -1.01 0.00 0.00 57.07 55.00 1tm9 s TYR 83 Cb 0.33 -4.42 1.50 0.00 -0.11 0.00 0.00 41.96 39.26 1tm9 s TYR 83 CO -0.21 -1.51 1.44 -0.12 -1.11 0.00 0.00 175.55 174.04 1tm9 n MET 84 N 6.43 -0.02 -0.32 -0.62 0.00 -1.26 0.14 117.12 121.47 1tm9 n MET 84 Ca 0.38 1.08 0.21 0.00 -0.00 0.00 0.00 57.70 59.37 1tm9 n MET 84 Cb 0.44 -2.30 0.42 0.00 0.00 0.00 0.00 33.22 31.78 1tm9 n MET 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1tm9 h ALA 85 N 1.20 1.72 0.50 -5.12 0.00 -1.97 0.18 119.26 115.77 1tm9 h ALA 85 Ca 0.84 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.96 1tm9 h ALA 85 Cb 3.07 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 21.09 1tm9 h ALA 85 CO -0.22 -0.58 -0.49 1.03 0.00 0.00 0.00 179.25 178.99 1tm9 h SER 86 N 0.24 -1.33 0.00 0.00 0.87 0.79 -2.70 113.55 111.42 1tm9 h SER 86 Ca 0.68 0.11 -0.31 0.00 -1.23 0.00 0.00 61.79 61.04 1tm9 h SER 86 Cb 1.54 0.44 -0.02 0.00 -0.44 0.00 0.00 62.40 63.92 1tm9 h SER 86 CO -0.66 -0.65 1.36 0.33 -0.53 0.00 0.00 176.83 176.67 1tm9 n PHE 87 N -5.56 0.83 0.00 2.24 7.35 0.62 -2.97 117.46 119.97 1tm9 n PHE 87 Ca -0.12 -1.73 0.00 0.00 -0.76 0.00 0.00 57.45 54.84 1tm9 n PHE 87 Cb 0.46 -1.63 0.00 0.00 0.35 0.00 0.00 39.48 38.65 1tm9 n PHE 87 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1tm9 n PHE 88 N 3.23 -1.11 -0.19 -5.13 3.01 -1.04 -4.86 117.46 111.37 1tm9 n PHE 88 Ca 0.45 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.83 1tm9 n PHE 88 Cb 0.45 0.29 0.02 0.00 -0.01 0.00 0.00 39.48 40.24 1tm9 n PHE 88 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1tm9 h SER 89 N 0.00 0.74 0.67 4.37 0.87 -1.40 -3.21 113.55 115.60 1tm9 h SER 89 Ca 0.00 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1tm9 h SER 89 Cb 0.00 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1tm9 h SER 89 CO 0.00 0.68 -0.32 0.71 -0.53 0.00 0.00 176.83 177.37 1tm9 h THR 90 N 0.75 0.00 -2.89 2.23 1.35 -1.87 -3.37 112.91 109.11 1tm9 h THR 90 Ca 0.19 -0.10 -0.70 0.00 -0.55 0.00 0.00 66.41 65.25 1tm9 h THR 90 Cb 0.16 0.00 -0.20 0.00 -1.73 0.00 0.00 68.15 66.38 1tm9 h THR 90 CO -0.02 0.00 0.17 0.20 -0.25 0.00 0.00 175.52 175.62 1tm9 s ASN 91 N -3.69 6.21 -0.07 5.36 0.01 -1.21 -4.85 114.94 116.70 1tm9 s ASN 91 Ca -0.13 -1.46 -0.12 0.00 -0.71 0.00 0.00 52.86 50.43 1tm9 s ASN 91 Cb 0.01 -2.31 -0.30 0.00 0.41 0.00 0.00 41.25 39.07 1tm9 s ASN 91 CO 0.40 -1.12 0.63 0.77 -1.51 0.00 0.00 177.10 176.26 1tm9 h SER 92 N 9.16 0.55 -0.67 -1.22 4.64 -1.74 -2.50 113.55 121.78 1tm9 h SER 92 Ca -0.27 -0.92 0.10 0.00 -0.47 0.00 0.00 61.79 60.24 1tm9 h SER 92 Cb 1.08 -0.18 -0.12 0.00 -0.31 0.00 0.00 62.40 62.88 1tm9 h SER 92 CO 1.10 1.75 -0.41 -0.33 -0.87 0.00 0.00 176.83 178.06 1tm9 h GLU 93 N -0.01 -0.16 -0.01 4.77 5.08 -1.90 1.51 114.58 123.87 1tm9 h GLU 93 Ca -0.34 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1tm9 h GLU 93 Cb 2.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1tm9 h GLU 93 CO 0.14 -0.11 -0.14 -1.00 -1.00 0.00 0.00 179.01 176.91 1tm9 h PRO 94 N -0.17 0.11 -0.02 2.33 0.13 -1.96 -2.82 132.00 129.61 1tm9 h PRO 94 Ca 0.22 -0.11 0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1tm9 h PRO 94 Cb 0.56 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1tm9 h PRO 94 CO -0.75 0.83 0.29 0.00 -0.23 0.00 0.00 178.00 178.15 1tm9 h ALA 95 N 0.28 1.33 0.03 -0.56 0.00 -0.94 0.06 119.26 119.47 1tm9 h ALA 95 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tm9 h ALA 95 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1tm9 h ALA 95 CO 0.03 -0.30 -0.02 0.82 0.00 0.00 0.00 179.25 179.78 1tm9 h ILE 96 N 0.00 0.00 -0.94 0.00 2.04 0.22 -2.28 117.51 116.55 1tm9 h ILE 96 Ca 0.01 -0.59 0.26 0.00 1.00 0.00 0.00 64.86 65.54 1tm9 h ILE 96 Cb 0.59 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.53 1tm9 h ILE 96 CO -0.00 0.00 0.43 0.40 0.00 0.00 0.00 178.15 178.98 1tm9 h ILE 97 N -0.63 0.37 -0.55 -0.67 5.03 -1.08 0.63 117.51 120.60 1tm9 h ILE 97 Ca -0.00 -0.11 -0.05 0.00 -0.12 0.00 0.00 64.86 64.58 1tm9 h ILE 97 Cb 0.04 0.01 -0.02 0.00 -3.03 0.00 0.00 36.82 33.81 1tm9 h ILE 97 CO 0.01 0.06 0.16 0.15 -0.68 0.00 0.00 178.15 177.85 1tm9 h PHE 98 N 0.33 0.89 -1.02 1.37 3.57 -1.13 -2.19 116.94 118.76 1tm9 h PHE 98 Ca 0.63 -0.09 0.25 0.00 3.53 0.00 0.00 57.97 62.28 1tm9 h PHE 98 Cb 1.31 -0.26 -0.11 0.00 2.79 0.00 0.00 35.95 39.69 1tm9 h PHE 98 CO -0.12 0.76 0.63 0.00 -2.23 0.00 0.00 178.31 177.35 1tm9 h VAL 100 N 0.52 1.29 0.52 0.00 2.07 -0.87 -2.07 116.25 117.71 1tm9 h VAL 100 Ca 0.61 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1tm9 h VAL 100 Cb 1.30 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1tm9 h VAL 100 CO -0.38 0.36 -0.30 0.40 0.02 0.00 0.00 177.57 177.67 1tm9 h ILE 101 N 0.28 0.38 0.00 4.57 1.08 0.49 -1.43 117.51 122.88 1tm9 h ILE 101 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1tm9 h ILE 101 Cb 0.58 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1tm9 h ILE 101 CO 0.03 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 176.27 1tm9 n TYR 102 N -5.44 0.00 -0.30 1.37 4.02 0.16 0.03 117.16 116.99 1tm9 n TYR 102 Ca -0.12 0.00 0.28 0.00 -0.01 0.00 0.00 57.90 58.06 1tm9 n TYR 102 Cb 0.34 -0.34 0.52 0.00 -0.02 0.00 0.00 39.34 39.84 1tm9 n TYR 102 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1tm9 n PHE 103 N -2.00 1.05 0.00 -0.72 7.35 -0.78 0.97 117.46 123.32 1tm9 n PHE 103 Ca 0.00 1.11 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 1tm9 n PHE 103 Cb 0.00 -1.48 0.00 0.00 0.35 0.00 0.00 39.48 38.35 1tm9 n PHE 103 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1tm9 n LEU 104 N -5.15 0.00 0.06 -2.13 4.77 -0.54 -1.52 117.00 112.50 1tm9 n LEU 104 Ca 0.34 0.90 -0.16 0.00 -0.03 0.00 0.00 56.01 57.07 1tm9 n LEU 104 Cb 1.16 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 41.66 1tm9 n LEU 104 CO 0.00 -0.50 0.52 1.88 -1.33 0.00 0.00 177.39 177.96 1tm9 h TYR 105 N 0.00 -1.54 -0.59 -1.77 0.05 0.16 -0.30 116.97 112.98 1tm9 h TYR 105 Ca 0.00 0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.88 1tm9 h TYR 105 Cb 0.00 0.67 -0.07 0.00 1.01 0.00 0.00 36.73 38.34 1tm9 h TYR 105 CO 0.19 -0.57 -0.35 0.45 -1.05 0.00 0.00 178.16 176.82 1tm9 h HIS 106 N -0.68 -1.14 0.00 4.88 3.86 0.50 -2.93 115.15 119.64 1tm9 h HIS 106 Ca 0.01 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1tm9 h HIS 106 Cb 0.73 0.57 0.00 0.00 1.06 0.00 0.00 27.41 29.77 1tm9 h HIS 106 CO -0.50 -0.22 0.00 1.19 0.86 0.00 0.00 177.93 179.26 1tm9 n PHE 107 N -4.35 0.00 0.00 2.45 3.01 -0.57 -4.94 117.46 113.06 1tm9 n PHE 107 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1tm9 n PHE 107 Cb 0.16 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 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 -0.75 -1.23 1.36 1.37 0.00 -0.16 -5.08 105.19 100.70 1tm9 n GLY 108 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.27 -1.90 1.61 3.72 -0.97 -5.04 117.46 114.61 1tm9 n PHE 109 Ca 0.00 0.05 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 1tm9 n PHE 109 Cb 0.00 0.19 0.02 0.00 -0.94 0.00 0.00 39.48 38.74 1tm9 n PHE 109 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1tm9 s LEU 110 N -6.04 4.03 0.33 4.37 1.43 -1.25 -4.98 118.68 116.57 1tm9 s LEU 110 Ca 0.00 2.74 0.10 0.00 -1.03 0.00 0.00 54.13 55.94 1tm9 s LEU 110 Cb 0.00 -4.08 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 1tm9 s LEU 110 CO 0.00 -1.21 -0.12 -0.54 0.23 0.00 0.00 176.35 174.71 1tm9 s LYS 111 N -2.59 1.80 -0.07 1.70 1.02 -1.26 -4.76 119.74 115.58 1tm9 s LYS 111 Ca 0.64 -1.88 0.03 0.00 0.02 0.00 0.00 55.97 54.78 1tm9 s LYS 111 Cb -0.40 -1.74 0.08 0.00 -0.52 0.00 0.00 37.83 35.25 1tm9 s LYS 111 CO 0.49 0.19 0.70 -3.47 -0.92 0.00 0.00 175.35 172.35 1tm9 n ASP 112 N -0.76 -0.58 -0.47 2.83 2.03 -1.26 -4.75 116.55 113.59 1tm9 n ASP 112 Ca -0.05 -1.23 0.03 0.00 0.52 0.00 0.00 54.79 54.06 1tm9 n ASP 112 Cb 0.62 0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 41.24 1tm9 n ASP 112 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1tm9 n ASN 113 N -0.32 -2.81 -1.39 1.67 4.13 -1.26 -4.95 115.26 110.33 1tm9 n ASN 113 Ca -0.11 0.25 0.16 0.00 1.68 0.00 0.00 54.58 56.56 1tm9 n ASN 113 Cb 0.56 -0.82 -0.09 0.00 -1.54 0.00 0.00 39.78 37.89 1tm9 n ASN 113 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1tm9 n ASN 114 N -3.93 -7.35 -0.01 6.41 2.85 -1.26 -4.93 115.26 107.05 1tm9 n ASN 114 Ca 0.00 1.34 -0.01 0.00 -0.11 0.00 0.00 54.58 55.80 1tm9 n ASN 114 Cb 0.11 -4.76 -0.00 0.00 1.24 0.00 0.00 39.78 36.36 1tm9 n ASN 114 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1tm9 n LYS 115 N -4.27 0.03 -0.43 1.20 4.81 -1.26 -5.06 118.16 113.18 1tm9 n LYS 115 Ca -0.09 0.01 -0.19 0.00 -0.87 0.00 0.00 58.31 57.17 1tm9 n LYS 115 Cb 0.64 -0.93 0.18 0.00 0.02 0.00 0.00 35.03 34.95 1tm9 n LYS 115 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1tm9 n LYS 116 N -2.63 -3.00 -1.42 1.64 5.02 -1.26 -4.73 118.16 111.78 1tm9 n LYS 116 Ca -0.02 -0.89 -0.51 0.00 -2.02 0.00 0.00 58.31 54.87 1tm9 n LYS 116 Cb 0.52 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 1tm9 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tm9 n GLN 117 N -2.79 0.00 -1.91 1.97 10.64 -1.26 -4.95 117.38 119.08 1tm9 n GLN 117 Ca 0.08 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.24 1tm9 n GLN 117 Cb 0.38 -1.15 -0.00 0.00 -0.86 0.00 0.00 30.24 28.61 1tm9 n GLN 117 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 1tm9 n ILE 118 N 0.47 0.00 -0.37 -0.39 3.06 -1.26 -4.95 119.36 115.93 1tm9 n ILE 118 Ca 0.18 -0.12 0.02 0.00 -2.50 0.00 0.00 62.75 60.33 1tm9 n ILE 118 Cb 0.19 0.07 0.08 0.00 0.54 0.00 0.00 39.64 40.52 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 1.06 0.01 -0.78 9.51 1.08 -1.96 1.57 117.51 128.00 1tm9 h ILE 119 Ca -0.01 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.64 1tm9 h ILE 119 Cb 0.07 0.01 -0.12 0.00 -3.07 0.00 0.00 36.82 33.71 1tm9 h ILE 119 CO 0.02 0.00 0.16 0.50 -0.69 0.00 0.00 178.15 178.14 1tm9 h LYS 120 N -0.00 0.22 -0.03 2.37 3.64 -1.96 1.23 116.57 122.04 1tm9 h LYS 120 Ca 0.40 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1tm9 h LYS 120 Cb 0.65 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1tm9 h LYS 120 CO -0.99 0.14 -0.26 -0.22 -2.27 0.00 0.00 179.45 175.84 1tm9 h LYS 121 N 0.22 -0.37 0.41 1.90 3.11 0.19 0.56 116.57 122.59 1tm9 h LYS 121 Ca 0.45 0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.29 1tm9 h LYS 121 Cb 0.81 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1tm9 h LYS 121 CO -0.57 -0.25 -0.20 0.00 -2.81 0.00 0.00 179.45 175.62 1tm9 h ALA 122 N 0.45 -0.92 -1.09 5.00 0.00 0.05 0.43 119.26 123.18 1tm9 h ALA 122 Ca 0.07 -0.12 0.43 0.00 0.00 0.00 0.00 54.91 55.30 1tm9 h ALA 122 Cb 0.49 0.21 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 1tm9 h ALA 122 CO -0.25 -0.88 0.63 0.66 0.00 0.00 0.00 179.25 179.40 1tm9 n TYR 123 N -3.82 1.05 0.08 0.00 4.02 0.40 0.21 117.16 119.10 1tm9 n TYR 123 Ca -0.07 1.06 -0.21 0.00 -0.01 0.00 0.00 57.90 58.68 1tm9 n TYR 123 Cb 0.22 -1.47 -0.12 0.00 -0.02 0.00 0.00 39.34 37.95 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 0.60 -1.01 -0.72 4.22 0.27 -2.32 114.58 115.62 1tm9 h GLU 124 Ca 0.86 -0.77 0.29 0.00 0.08 0.00 0.00 59.36 59.82 1tm9 h GLU 124 Cb 2.39 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 31.85 1tm9 h GLU 124 CO -0.69 1.34 0.74 0.00 -2.18 0.00 0.00 179.01 178.22 1tm9 h THR 125 N 0.28 0.46 0.00 0.32 1.03 0.71 0.45 112.91 116.16 1tm9 h THR 125 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1tm9 h THR 125 Cb 1.86 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 1tm9 h THR 125 CO 0.23 0.00 -0.29 0.40 -0.01 0.00 0.00 175.52 175.84 1tm9 h ILE 126 N 0.00 0.00 -1.82 0.00 2.04 -1.35 -2.08 117.51 114.31 1tm9 h ILE 126 Ca 0.48 -0.59 0.53 0.00 1.00 0.00 0.00 64.86 66.28 1tm9 h ILE 126 Cb 1.96 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 1tm9 h ILE 126 CO -0.01 0.00 1.37 0.00 0.00 0.00 0.00 178.15 179.52 1tm9 h ALA 127 N -1.41 3.73 0.00 1.87 0.00 -1.01 1.75 119.26 124.18 1tm9 h ALA 127 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1tm9 h ALA 127 Cb 0.29 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1tm9 h ALA 127 CO 0.00 -2.31 -0.73 0.22 0.00 0.00 0.00 179.25 176.44 1tm9 h ASP 128 N 0.00 0.00 -0.40 0.00 3.58 -0.25 -3.01 116.42 116.34 1tm9 h ASP 128 Ca 0.86 -0.60 0.05 0.00 0.42 0.00 0.00 57.03 57.77 1tm9 h ASP 128 Cb 3.60 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 44.60 1tm9 h ASP 128 CO -0.01 1.22 0.12 0.78 -2.88 0.00 0.00 179.24 178.47 1tm9 h ASN 129 N -1.00 0.10 -1.01 2.28 4.21 0.17 -0.21 115.58 120.12 1tm9 h ASN 129 Ca -0.19 0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.42 1tm9 h ASN 129 Cb 1.07 0.05 -0.06 0.00 -1.12 0.00 0.00 38.32 38.27 1tm9 h ASN 129 CO -0.12 0.09 0.66 -0.29 -1.29 0.00 0.00 177.43 176.48 1tm9 h ILE 130 N 0.27 1.16 0.00 2.81 2.10 0.20 0.51 117.51 124.55 1tm9 h ILE 130 Ca 0.19 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1tm9 h ILE 130 Cb 0.20 -0.21 0.00 0.00 -1.09 0.00 0.00 36.82 35.72 1tm9 h ILE 130 CO -0.21 0.23 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 1tm9 n ALA 131 N -2.37 1.74 0.27 0.18 0.00 -0.22 -1.33 120.51 118.78 1tm9 n ALA 131 Ca 0.14 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1tm9 n ALA 131 Cb 0.11 -1.23 0.23 0.00 0.00 0.00 0.00 19.45 18.56 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 0.00 0.00 0.00 0.00 3.58 0.14 -3.26 116.42 116.88 1tm9 h ASP 132 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 1tm9 h ASP 132 Cb 0.18 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 1tm9 h ASP 132 CO 0.00 0.00 -2.16 -1.22 -2.88 0.00 0.00 179.24 172.98 1tm9 n TYR 133 N -3.01 0.00 0.00 0.28 4.01 -0.44 -4.73 117.16 113.28 1tm9 n TYR 133 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1tm9 n TYR 133 Cb 0.50 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 1tm9 n TYR 133 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1tm9 n LEU 134 N -3.18 0.00 -2.40 7.72 4.77 -0.76 -4.96 117.00 118.19 1tm9 n LEU 134 Ca -0.36 0.72 -0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1tm9 n LEU 134 Cb 0.87 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1tm9 n LEU 134 CO 0.18 -0.22 -0.38 -3.20 -1.33 0.00 0.00 177.39 172.44 1tm9 n ASN 135 N -1.59 -6.13 -2.69 -1.43 5.15 -1.23 -5.05 115.26 102.30 1tm9 n ASN 135 Ca 0.00 1.08 -0.05 0.00 -0.60 0.00 0.00 54.58 55.01 1tm9 n ASN 135 Cb 0.00 -4.26 0.05 0.00 -0.53 0.00 0.00 39.78 35.05 1tm9 n ASN 135 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tm9 n GLU 136 N 0.58 0.28 -0.25 1.20 -0.58 -1.26 -5.18 120.64 115.43 1tm9 n GLU 136 Ca -0.02 -1.03 0.00 0.00 -0.42 0.00 0.00 57.16 55.69 1tm9 n GLU 136 Cb 0.03 -0.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 1tm9 n GLU 136 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94