#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 -1.47 0.00 0.03 -0.58 -1.26 -5.07 120.64 112.28 1tm9 n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1tm9 n GLU 2 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1tm9 n GLU 2 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1tm9 n GLN 3 N 0.00 0.00 -3.48 3.49 1.13 -1.26 -4.54 117.38 112.72 1tm9 n GLN 3 Ca 0.00 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 1tm9 n GLN 3 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1tm9 n GLN 3 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1tm9 s ASN 4 N -4.00 -0.60 0.00 1.08 0.01 -1.26 -4.80 114.94 105.37 1tm9 s ASN 4 Ca 0.00 0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.46 1tm9 s ASN 4 Cb 0.00 0.57 0.00 0.00 0.41 0.00 0.00 41.25 42.23 1tm9 s ASN 4 CO 0.00 -0.80 0.00 -3.20 -1.51 0.00 0.00 177.10 171.59 1tm9 n ASN 5 N 0.22 0.00 0.00 -1.22 2.85 -1.26 -4.13 115.26 111.72 1tm9 n ASN 5 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1tm9 n ASN 5 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 1tm9 n ASN 5 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1tm9 n ILE 6 N 0.00 0.00 -0.20 -1.44 2.08 -1.26 0.67 119.36 119.21 1tm9 n ILE 6 Ca 0.00 1.38 0.08 0.00 0.56 0.00 0.00 62.75 64.77 1tm9 n ILE 6 Cb 0.00 -1.88 0.15 0.00 -0.75 0.00 0.00 39.64 37.16 1tm9 n ILE 6 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1tm9 n LYS 7 N -2.58 -0.05 0.29 0.38 4.76 -1.26 0.20 118.16 119.91 1tm9 n LYS 7 Ca 0.00 0.87 -0.15 0.00 -2.87 0.00 0.00 58.31 56.16 1tm9 n LYS 7 Cb 0.00 -1.36 -0.08 0.00 -1.84 0.00 0.00 35.03 31.75 1tm9 n LYS 7 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1tm9 h GLU 8 N 0.00 -0.72 -0.98 1.97 4.22 0.08 -2.24 114.58 116.90 1tm9 h GLU 8 Ca 0.34 0.05 0.25 0.00 0.08 0.00 0.00 59.36 60.07 1tm9 h GLU 8 Cb 0.67 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.95 1tm9 h GLU 8 CO -0.55 -0.41 0.55 1.96 -2.18 0.00 0.00 179.01 178.38 1tm9 h GLN 9 N -0.99 0.50 0.79 1.92 4.20 0.69 -0.57 115.11 121.65 1tm9 h GLN 9 Ca -0.08 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1tm9 h GLN 9 Cb 0.64 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1tm9 h GLN 9 CO 0.13 0.33 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.08 1tm9 h LEU 10 N 0.52 -1.16 -0.83 1.46 3.38 0.01 -2.48 115.31 116.21 1tm9 h LEU 10 Ca 0.64 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.74 1tm9 h LEU 10 Cb 1.24 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 42.22 1tm9 h LEU 10 CO -0.50 -0.73 -0.49 -0.38 0.09 0.00 0.00 178.44 176.44 1tm9 n ILE 11 N -5.40 -0.56 -0.31 1.22 -0.00 -0.28 -0.32 119.36 113.71 1tm9 n ILE 11 Ca -0.14 2.23 -0.08 0.00 -0.00 0.00 0.00 62.75 64.76 1tm9 n ILE 11 Cb 0.48 -2.78 -0.07 0.00 -0.00 0.00 0.00 39.64 37.27 1tm9 n ILE 11 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1tm9 n SER 12 N -4.87 -0.77 0.00 4.38 2.88 -0.83 0.24 113.62 114.64 1tm9 n SER 12 Ca 0.02 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1tm9 n SER 12 Cb 0.21 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 -4.66 0.00 -0.41 0.66 3.72 0.26 -0.52 117.46 116.51 1tm9 n PHE 13 Ca 0.01 0.00 0.34 0.00 -0.05 0.00 0.00 57.45 57.75 1tm9 n PHE 13 Cb 0.19 -0.40 0.61 0.00 -0.94 0.00 0.00 39.48 38.94 1tm9 n PHE 13 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1tm9 h PHE 14 N 0.00 0.60 -0.62 1.38 3.04 -0.19 1.74 116.94 122.88 1tm9 h PHE 14 Ca 0.00 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.92 1tm9 h PHE 14 Cb 0.00 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 1tm9 h PHE 14 CO -0.11 -0.19 0.16 -0.97 -2.02 0.00 0.00 178.31 175.18 1tm9 h ASN 15 N 0.14 0.94 0.21 0.41 -0.73 0.36 0.88 115.58 117.80 1tm9 h ASN 15 Ca 0.79 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.73 1tm9 h ASN 15 Cb 2.33 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 40.68 1tm9 h ASN 15 CO -0.44 0.92 0.00 0.00 -0.37 0.00 0.00 177.43 177.54 1tm9 n GLN 16 N -4.34 0.44 0.00 6.67 6.02 0.58 -4.11 117.38 122.64 1tm9 n GLN 16 Ca 0.04 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1tm9 n GLN 16 Cb 0.24 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1tm9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1tm9 n ALA 17 N -1.16 0.42 -2.48 -1.58 0.00 -0.30 -4.84 120.51 110.56 1tm9 n ALA 17 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1tm9 n ALA 17 Cb 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.48 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 5.46 0.00 -4.21 0.00 7.64 -1.26 -4.45 113.62 116.80 1tm9 n SER 19 Ca -0.08 0.18 -0.38 0.00 1.01 0.00 0.00 58.87 59.59 1tm9 n SER 19 Cb 0.47 -0.37 0.02 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.94 0.17 -0.03 0.44 -2.24 -1.26 -4.89 114.28 104.53 1tm9 n THR 20 Ca 0.00 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 61.14 1tm9 n THR 20 Cb 0.00 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.23 0.24 -1.43 4.78 3.86 -2.01 -3.20 115.15 117.15 1tm9 h HIS 21 Ca -0.42 -0.13 0.47 0.00 -1.16 0.00 0.00 60.37 59.13 1tm9 h HIS 21 Cb 1.41 -0.03 -0.12 0.00 1.06 0.00 0.00 27.41 29.73 1tm9 h HIS 21 CO 0.23 0.92 0.94 1.96 0.86 0.00 0.00 177.93 182.85 1tm9 h GLN 22 N -0.52 0.04 -1.28 2.45 4.20 -2.00 0.97 115.11 118.98 1tm9 h GLN 22 Ca -0.03 -0.00 0.40 0.00 0.06 0.00 0.00 58.65 59.08 1tm9 h GLN 22 Cb 0.98 -0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.63 1tm9 h GLN 22 CO 0.04 0.03 0.83 1.49 -0.67 0.00 0.00 178.83 180.55 1tm9 h GLU 23 N 0.04 0.14 0.20 1.46 4.57 -1.91 0.66 114.58 119.74 1tm9 h GLU 23 Ca 0.86 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 59.02 1tm9 h GLU 23 Cb 2.83 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 31.39 1tm9 h GLU 23 CO -0.37 0.09 -0.10 -0.09 -1.18 0.00 0.00 179.01 177.36 1tm9 h ARG 24 N 0.14 -0.26 0.00 1.92 2.43 0.78 0.35 114.38 119.74 1tm9 h ARG 24 Ca 0.76 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.94 1tm9 h ARG 24 Cb 2.37 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.98 1tm9 h ARG 24 CO -0.36 -0.06 -0.04 -0.07 -1.51 0.00 0.00 179.97 177.94 1tm9 h LEU 25 N -0.42 0.00 0.00 3.80 3.38 -0.05 -1.00 115.31 121.02 1tm9 h LEU 25 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1tm9 h LEU 25 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1tm9 h LEU 25 CO 0.05 0.04 -0.79 0.44 0.09 0.00 0.00 178.44 178.27 1tm9 h ASP 26 N 0.00 0.00 0.13 -0.43 3.32 0.37 -3.29 116.42 116.53 1tm9 h ASP 26 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1tm9 h ASP 26 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1tm9 h ASP 26 CO 0.01 0.65 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.85 1tm9 h PHE 27 N 0.00 -0.17 -1.62 4.55 -1.00 0.10 1.30 116.94 120.10 1tm9 h PHE 27 Ca -0.04 -0.00 0.50 0.00 2.81 0.00 0.00 57.97 61.24 1tm9 h PHE 27 Cb 1.53 0.06 -0.10 0.00 3.61 0.00 0.00 35.95 41.05 1tm9 h PHE 27 CO 0.00 -0.10 1.12 0.44 -1.61 0.00 0.00 178.31 178.15 1tm9 n ILE 28 N -3.13 -0.10 0.00 -0.55 -5.35 -0.95 0.19 119.36 109.47 1tm9 n ILE 28 Ca -0.02 1.53 0.00 0.00 -0.27 0.00 0.00 62.75 63.98 1tm9 n ILE 28 Cb 0.07 -2.52 0.00 0.00 -1.74 0.00 0.00 39.64 35.45 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 -1.79 -0.97 0.00 0.02 0.24 1.08 113.55 112.14 1tm9 h SER 30 Ca 0.00 0.27 0.18 0.00 -0.84 0.00 0.00 61.79 61.39 1tm9 h SER 30 Cb 0.00 0.78 -0.17 0.00 0.14 0.00 0.00 62.40 63.15 1tm9 h SER 30 CO 0.00 -0.21 -0.29 0.41 -1.14 0.00 0.00 176.83 175.60 1tm9 n THR 31 N -4.89 -0.44 -1.35 -2.27 -1.04 0.50 0.20 114.28 104.99 1tm9 n THR 31 Ca 0.01 2.23 -0.27 0.00 -2.04 0.00 0.00 64.05 63.98 1tm9 n THR 31 Cb 0.23 -3.04 0.13 0.00 -1.82 0.00 0.00 70.33 65.83 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 -5.52 2.48 -2.68 -2.82 0.00 0.12 -4.36 116.66 103.87 1tm9 n ARG 32 Ca 0.13 -3.22 -0.05 0.00 -0.00 0.00 0.00 57.85 54.71 1tm9 n ARG 32 Cb 0.45 -2.19 0.06 0.00 0.00 0.00 0.00 32.46 30.77 1tm9 n ARG 32 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1tm9 n GLU 33 N -1.02 0.73 0.00 -0.14 4.07 0.53 -4.90 120.64 119.90 1tm9 n GLU 33 Ca 0.57 -1.30 0.00 0.00 -0.06 0.00 0.00 57.16 56.37 1tm9 n GLU 33 Cb 1.14 -0.02 0.00 0.00 -0.06 0.00 0.00 31.44 32.49 1tm9 n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1tm9 n SER 34 N -0.56 0.00 0.05 4.31 3.41 -0.17 -4.49 113.62 116.17 1tm9 n SER 34 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1tm9 n SER 34 Cb 0.76 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.86 -4.34 4.04 2.03 -1.26 -5.13 116.55 111.02 1tm9 n ASP 35 Ca 0.00 0.30 -0.19 0.00 0.52 0.00 0.00 54.79 55.42 1tm9 n ASP 35 Cb 0.00 1.04 -0.10 0.00 -0.72 0.00 0.00 41.12 41.34 1tm9 n ASP 35 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1tm9 s THR 36 N -1.42 0.79 0.23 5.18 -1.32 -1.26 -5.02 115.64 112.82 1tm9 s THR 36 Ca 0.00 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.43 1tm9 s THR 36 Cb 0.00 -2.68 0.13 0.00 -1.51 0.00 0.00 72.50 68.44 1tm9 s THR 36 CO 0.00 0.00 1.76 -0.26 -2.21 0.00 0.00 174.62 173.91 1tm9 h PHE 37 N 2.24 1.05 0.00 9.09 0.04 -1.97 -0.89 116.94 126.51 1tm9 h PHE 37 Ca -0.39 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1tm9 h PHE 37 Cb 1.25 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1tm9 h PHE 37 CO 0.58 0.87 0.00 0.45 -0.60 0.00 0.00 178.31 179.60 1tm9 n SER 38 N -4.25 0.00 -0.01 2.17 2.88 -1.26 -2.43 113.62 110.73 1tm9 n SER 38 Ca 0.05 -1.34 0.11 0.00 -1.33 0.00 0.00 58.87 56.35 1tm9 n SER 38 Cb 0.25 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.77 0.17 -4.76 -3.46 2.88 -0.35 -4.97 113.62 102.37 1tm9 n SER 39 Ca 0.12 -0.13 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 1tm9 n SER 39 Cb 0.06 1.86 0.12 0.00 -0.75 0.00 0.00 64.21 65.49 1tm9 n SER 39 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1tm9 s VAL 40 N -3.44 2.86 -0.01 2.46 1.01 -1.02 -4.94 120.40 117.33 1tm9 s VAL 40 Ca -0.06 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1tm9 s VAL 40 Cb 0.14 -2.88 -0.14 0.00 0.00 0.00 0.00 36.38 33.50 1tm9 s VAL 40 CO 0.90 -0.36 1.03 -2.24 0.00 0.00 0.00 175.10 174.42 1tm9 h ASP 41 N -1.33 -0.48 -1.55 3.32 3.04 -1.93 -3.45 116.42 114.04 1tm9 h ASP 41 Ca -0.48 -0.10 -0.66 0.00 -3.24 0.00 0.00 57.03 52.55 1tm9 h ASP 41 Cb 1.28 0.13 0.10 0.00 -1.04 0.00 0.00 39.33 39.79 1tm9 h ASP 41 CO 0.57 -0.08 -0.16 0.55 -2.04 0.00 0.00 179.24 178.07 1tm9 n VAL 42 N -5.19 1.62 -2.53 4.15 3.14 -1.26 -4.88 118.33 113.39 1tm9 n VAL 42 Ca -0.09 -0.41 -0.37 0.00 -2.96 0.00 0.00 64.34 60.51 1tm9 n VAL 42 Cb 0.29 -0.41 -0.04 0.00 -1.06 0.00 0.00 33.84 32.62 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 -0.95 4.22 0.13 1.45 0.04 -1.26 -4.96 135.00 133.66 1tm9 s PRO 43 Ca 0.67 1.56 0.10 0.00 0.04 0.00 0.00 61.00 63.36 1tm9 s PRO 43 Cb -0.89 -2.62 -0.15 0.00 0.04 0.00 0.00 34.50 30.88 1tm9 s PRO 43 CO 0.57 -0.10 1.20 -0.07 0.04 0.00 0.00 177.00 178.63 1tm9 h LEU 44 N 2.66 0.00 -0.49 -3.56 3.38 -1.90 -2.91 115.31 112.49 1tm9 h LEU 44 Ca -0.48 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.56 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 0.63 0.87 -0.46 -0.33 0.09 0.00 0.00 178.44 179.23 1tm9 h GLU 45 N 0.00 -0.29 -0.01 1.13 3.07 -1.99 0.90 114.58 117.40 1tm9 h GLU 45 Ca -0.06 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1tm9 h GLU 45 Cb 1.71 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.69 1tm9 h GLU 45 CO 0.10 -0.19 -0.12 -1.00 -1.40 0.00 0.00 179.01 176.41 1tm9 h PRO 46 N -0.30 0.09 -0.70 2.33 0.13 -1.89 -3.30 132.00 128.37 1tm9 h PRO 46 Ca 0.14 -0.09 0.14 0.00 -0.87 0.00 0.00 66.00 65.32 1tm9 h PRO 46 Cb 0.58 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.60 1tm9 h PRO 46 CO -0.63 0.82 -0.19 0.82 -0.23 0.00 0.00 178.00 178.58 1tm9 h ILE 47 N -0.61 0.28 -0.91 -3.56 1.08 -1.27 1.85 117.51 114.36 1tm9 h ILE 47 Ca -0.01 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.72 1tm9 h ILE 47 Cb 0.86 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 1tm9 h ILE 47 CO 0.02 0.00 0.84 0.11 -0.69 0.00 0.00 178.15 178.43 1tm9 h LYS 48 N -0.02 0.00 -0.02 2.37 6.56 0.76 1.49 116.57 127.72 1tm9 h LYS 48 Ca 0.33 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.73 1tm9 h LYS 48 Cb 0.52 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1tm9 h LYS 48 CO -0.73 0.00 -0.73 -0.97 -2.06 0.00 0.00 179.45 174.96 1tm9 h ASN 49 N 0.00 0.69 -0.05 0.86 -0.00 0.28 -2.20 115.58 115.16 1tm9 h ASN 49 Ca 0.43 -0.73 0.00 0.00 -0.00 0.00 0.00 56.30 56.00 1tm9 h ASN 49 Cb 2.10 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 40.21 1tm9 h ASN 49 CO -0.00 1.32 0.00 2.30 -0.00 0.00 0.00 177.43 181.05 1tm9 n ILE 50 N -4.09 0.06 -0.09 2.57 -5.35 0.46 -2.98 119.36 109.95 1tm9 n ILE 50 Ca -0.10 -0.09 -0.09 0.00 -0.27 0.00 0.00 62.75 62.20 1tm9 n ILE 50 Cb 0.73 -0.11 -0.14 0.00 -1.74 0.00 0.00 39.64 38.38 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 -0.49 1.21 -0.57 7.28 5.41 0.15 -4.35 119.36 128.00 1tm9 n ILE 51 Ca 0.14 -0.75 -0.15 0.00 1.00 0.00 0.00 62.75 62.99 1tm9 n ILE 51 Cb 0.13 -0.52 0.06 0.00 -0.71 0.00 0.00 39.64 38.60 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 -2.65 1.73 -0.07 0.38 0.28 -0.84 -3.78 120.64 115.67 1tm9 n GLU 52 Ca -0.29 -1.53 -0.10 0.00 -0.16 0.00 0.00 57.16 55.08 1tm9 n GLU 52 Cb 1.07 -1.60 -0.08 0.00 1.43 0.00 0.00 31.44 32.27 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 0.09 0.88 0.52 3.84 0.13 -1.26 -4.44 119.36 119.12 1tm9 n ILE 53 Ca 0.30 -0.37 0.05 0.00 -1.10 0.00 0.00 62.75 61.63 1tm9 n ILE 53 Cb 0.77 -0.99 0.18 0.00 -0.84 0.00 0.00 39.64 38.76 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 -2.87 0.85 1.02 9.51 -2.24 -1.25 -3.83 114.28 115.48 1tm9 n THR 54 Ca -0.26 -0.57 0.12 0.00 -2.27 0.00 0.00 64.05 61.06 1tm9 n THR 54 Cb 0.81 -0.02 0.57 0.00 -2.10 0.00 0.00 70.33 69.59 1tm9 n THR 54 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1tm9 n LYS 55 N 0.46 0.22 -4.22 -0.78 2.85 -1.26 -4.19 118.16 111.24 1tm9 n LYS 55 Ca 0.13 0.07 -0.35 0.00 -1.05 0.00 0.00 58.31 57.10 1tm9 n LYS 55 Cb 0.48 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.27 1tm9 n LYS 55 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1tm9 s ASP 56 N -2.73 5.58 0.00 -5.58 1.01 -1.25 -5.00 116.67 108.70 1tm9 s ASP 56 Ca 0.19 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1tm9 s ASP 56 Cb 0.16 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 42.42 1tm9 s ASP 56 CO 0.39 0.38 0.44 1.21 0.21 0.00 0.00 175.17 177.80 1tm9 n GLU 57 N 2.16 0.00 -0.35 8.23 2.13 -1.26 0.82 120.64 132.37 1tm9 n GLU 57 Ca -0.19 0.20 0.30 0.00 0.66 0.00 0.00 57.16 58.14 1tm9 n GLU 57 Cb 0.54 -0.94 0.52 0.00 0.27 0.00 0.00 31.44 31.82 1tm9 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1tm9 n ASN 58 N -0.65 0.18 0.38 4.31 4.13 -1.26 0.17 115.26 122.51 1tm9 n ASN 58 Ca 0.00 1.10 -0.16 0.00 1.68 0.00 0.00 54.58 57.20 1tm9 n ASN 58 Cb 0.00 -0.54 -0.08 0.00 -1.54 0.00 0.00 39.78 37.62 1tm9 n ASN 58 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1tm9 h GLN 59 N 0.00 -0.94 -0.19 3.52 7.50 -1.60 0.73 115.11 124.13 1tm9 h GLN 59 Ca 0.68 0.06 0.06 0.00 0.50 0.00 0.00 58.65 59.95 1tm9 h GLN 59 Cb 2.14 0.21 -0.01 0.00 0.05 0.00 0.00 27.48 29.88 1tm9 h GLN 59 CO -0.39 -0.61 0.17 -0.56 -1.50 0.00 0.00 178.83 175.94 1tm9 h GLN 60 N -1.20 0.00 0.12 1.46 -0.00 0.80 0.40 115.11 116.69 1tm9 h GLN 60 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.54 1tm9 h GLN 60 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.25 1tm9 h GLN 60 CO 0.16 0.00 -0.06 0.82 -0.00 0.00 0.00 178.83 179.76 1tm9 h ILE 61 N 0.00 0.60 -0.39 1.86 2.04 -0.19 -2.55 117.51 118.88 1tm9 h ILE 61 Ca 0.09 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 64.81 1tm9 h ILE 61 Cb 0.42 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1tm9 h ILE 61 CO -0.00 0.18 0.27 -0.33 0.00 0.00 0.00 178.15 178.27 1tm9 h GLU 62 N -0.98 0.15 0.10 2.37 3.07 0.11 -1.46 114.58 117.94 1tm9 h GLU 62 Ca -0.02 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1tm9 h GLU 62 Cb 0.42 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1tm9 h GLU 62 CO 0.03 0.10 -0.05 0.82 -1.40 0.00 0.00 179.01 178.51 1tm9 h ILE 63 N 0.16 1.06 -0.43 3.13 2.04 -0.27 0.19 117.51 123.38 1tm9 h ILE 63 Ca 0.18 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.47 1tm9 h ILE 63 Cb 0.51 1.46 -0.09 0.00 -0.74 0.00 0.00 36.82 37.96 1tm9 h ILE 63 CO -0.03 0.15 -0.51 0.74 0.00 0.00 0.00 178.15 178.50 1tm9 h THR 64 N -0.43 0.04 -0.59 -0.27 2.02 -0.83 1.16 112.91 114.02 1tm9 h THR 64 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1tm9 h THR 64 Cb 0.35 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1tm9 h THR 64 CO 0.02 0.00 0.36 0.11 0.37 0.00 0.00 175.52 176.38 1tm9 h LYS 65 N -0.36 0.80 -0.07 6.66 6.56 -1.49 -2.23 116.57 126.44 1tm9 h LYS 65 Ca 0.10 -0.07 0.04 0.00 -1.06 0.00 0.00 60.65 59.66 1tm9 h LYS 65 Cb 0.59 -0.17 -0.05 0.00 -0.57 0.00 0.00 32.23 32.03 1tm9 h LYS 65 CO -0.61 0.57 -0.27 0.82 -2.06 0.00 0.00 179.45 177.91 1tm9 h ILE 66 N 0.80 0.39 -0.75 1.86 2.04 0.15 0.83 117.51 122.83 1tm9 h ILE 66 Ca 0.21 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.24 1tm9 h ILE 66 Cb -0.03 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 36.33 1tm9 h ILE 66 CO -0.04 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.29 1tm9 h ALA 67 N 0.50 0.98 0.14 1.87 0.00 0.16 -0.01 119.26 122.90 1tm9 h ALA 67 Ca 0.08 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1tm9 h ALA 67 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tm9 h ALA 67 CO -0.28 -0.35 -0.07 0.28 0.00 0.00 0.00 179.25 178.83 1tm9 h VAL 68 N 0.26 0.97 -1.79 0.00 2.07 -0.52 1.42 116.25 118.66 1tm9 h VAL 68 Ca 0.43 -0.50 0.54 0.00 0.82 0.00 0.00 66.70 67.99 1tm9 h VAL 68 Cb 0.74 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 31.70 1tm9 h VAL 68 CO -0.53 0.12 1.26 -3.20 0.02 0.00 0.00 177.57 175.24 1tm9 n ASN 69 N -5.07 0.06 -0.11 0.57 5.15 0.27 0.16 115.26 116.30 1tm9 n ASN 69 Ca -0.09 1.11 -0.18 0.00 -0.60 0.00 0.00 54.58 54.82 1tm9 n ASN 69 Cb 0.19 -0.55 -0.07 0.00 -0.53 0.00 0.00 39.78 38.82 1tm9 n ASN 69 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1tm9 n ASN 70 N -4.15 1.92 -0.17 1.20 3.02 -0.78 -4.10 115.26 112.21 1tm9 n ASN 70 Ca 0.43 0.38 -0.09 0.00 -0.03 0.00 0.00 54.58 55.27 1tm9 n ASN 70 Cb 1.88 -0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 40.20 1tm9 n ASN 70 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1tm9 h ILE 71 N -1.00 0.11 -1.12 2.41 1.08 0.42 1.08 117.51 120.49 1tm9 h ILE 71 Ca -0.32 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 64.46 1tm9 h ILE 71 Cb 1.23 0.11 -0.10 0.00 -3.07 0.00 0.00 36.82 34.99 1tm9 h ILE 71 CO -0.20 0.00 0.72 0.50 -0.69 0.00 0.00 178.15 178.48 1tm9 h LYS 72 N -0.27 0.29 0.01 2.37 3.11 0.13 1.37 116.57 123.59 1tm9 h LYS 72 Ca 0.16 -0.02 -0.20 0.00 -2.81 0.00 0.00 60.65 57.78 1tm9 h LYS 72 Cb 0.57 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1tm9 h LYS 72 CO -0.63 0.19 -0.91 1.15 -2.81 0.00 0.00 179.45 176.44 1tm9 h THR 73 N 0.30 1.53 0.00 1.00 2.02 0.76 -2.96 112.91 115.56 1tm9 h THR 73 Ca 0.66 -2.77 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1tm9 h THR 73 Cb 1.81 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.78 1tm9 h THR 73 CO -0.34 0.80 0.00 -0.07 0.37 0.00 0.00 175.52 176.28 1tm9 h LEU 74 N 0.08 0.00 -0.09 2.58 3.38 0.71 0.85 115.31 122.82 1tm9 h LEU 74 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1tm9 h LEU 74 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1tm9 h LEU 74 CO 0.14 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.47 1tm9 n SER 75 N -2.36 0.05 -0.11 -0.43 7.64 -0.88 -0.30 113.62 117.23 1tm9 n SER 75 Ca -0.02 0.52 0.10 0.00 1.01 0.00 0.00 58.87 60.49 1tm9 n SER 75 Cb 0.04 -0.53 -0.07 0.00 -1.01 0.00 0.00 64.21 62.65 1tm9 n SER 75 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1tm9 n SER 76 N -1.56 1.19 -3.57 6.43 7.64 0.29 -4.49 113.62 119.55 1tm9 n SER 76 Ca 0.02 -1.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.43 1tm9 n SER 76 Cb 0.09 0.84 0.01 0.00 -1.01 0.00 0.00 64.21 64.14 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 -1.18 5.57 0.00 0.44 0.31 0.59 -2.88 118.33 121.18 1tm9 n VAL 77 Ca 0.05 -5.03 0.00 0.00 -0.01 0.00 0.00 64.34 59.36 1tm9 n VAL 77 Cb 0.36 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 1.04 1.23 0.37 2.92 0.00 -1.26 -4.57 105.19 104.92 1tm9 n GLY 78 Ca 0.55 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 1.67 0.25 -0.40 4.61 0.00 -1.87 0.43 119.26 123.96 1tm9 h ALA 79 Ca 0.00 0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 1tm9 h ALA 79 Cb 0.00 0.92 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 1tm9 h ALA 79 CO 0.00 -0.57 -0.02 -2.37 0.00 0.00 0.00 179.25 176.29 1tm9 n THR 80 N -5.50 2.61 -0.04 0.00 5.66 -1.26 -4.96 114.28 110.78 1tm9 n THR 80 Ca 0.11 -2.67 0.00 0.00 -3.05 0.00 0.00 64.05 58.43 1tm9 n THR 80 Cb 0.42 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 1tm9 n THR 80 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tm9 n GLY 81 N -1.11 1.94 0.00 1.09 0.00 0.15 -4.83 105.19 102.42 1tm9 n GLY 81 Ca 0.35 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1tm9 n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tm9 n GLN 82 N 0.00 0.00 -2.56 1.61 6.02 -1.26 -4.77 117.38 116.41 1tm9 n GLN 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1tm9 n GLN 82 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1tm9 n GLN 82 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1tm9 n TYR 83 N 0.00 0.00 -0.49 1.08 4.01 -1.26 -4.15 117.16 116.36 1tm9 n TYR 83 Ca 0.00 0.00 0.38 0.00 -0.16 0.00 0.00 57.90 58.12 1tm9 n TYR 83 Cb 0.00 -0.79 0.61 0.00 -0.31 0.00 0.00 39.34 38.85 1tm9 n TYR 83 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1tm9 n MET 84 N 1.50 -0.01 -0.26 -0.72 0.00 -1.26 0.20 117.12 116.56 1tm9 n MET 84 Ca 0.00 0.94 0.07 0.00 -0.00 0.00 0.00 57.70 58.71 1tm9 n MET 84 Cb 0.26 -2.01 0.20 0.00 0.00 0.00 0.00 33.22 31.67 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 1.03 1.01 0.00 -5.12 0.00 -1.97 1.33 119.26 115.54 1tm9 h ALA 85 Ca 0.74 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.79 1tm9 h ALA 85 Cb 2.70 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 20.75 1tm9 h ALA 85 CO -0.18 -0.37 -0.22 0.77 0.00 0.00 0.00 179.25 179.24 1tm9 h SER 86 N 0.24 0.00 -0.40 0.00 0.02 0.21 -2.97 113.55 110.65 1tm9 h SER 86 Ca 0.45 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.13 1tm9 h SER 86 Cb 0.80 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.24 1tm9 h SER 86 CO -0.56 0.22 0.13 0.49 -1.14 0.00 0.00 176.83 175.97 1tm9 n PHE 87 N -3.75 0.85 0.00 3.45 3.01 0.46 -3.68 117.46 117.79 1tm9 n PHE 87 Ca -0.01 -1.63 0.00 0.00 1.01 0.00 0.00 57.45 56.81 1tm9 n PHE 87 Cb 0.33 -1.11 0.00 0.00 -0.01 0.00 0.00 39.48 38.69 1tm9 n PHE 87 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1tm9 n PHE 88 N 1.24 0.00 -0.02 1.38 -0.00 -1.12 -4.68 117.46 114.26 1tm9 n PHE 88 Ca 0.31 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.64 1tm9 n PHE 88 Cb 0.63 0.16 -0.07 0.00 -0.00 0.00 0.00 39.48 40.21 1tm9 n PHE 88 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1tm9 h SER 89 N 0.00 0.14 0.36 -2.13 4.64 -1.74 -2.98 113.55 111.83 1tm9 h SER 89 Ca 0.00 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1tm9 h SER 89 Cb 0.37 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1tm9 h SER 89 CO 0.00 0.33 -0.34 0.71 -0.87 0.00 0.00 176.83 176.66 1tm9 h THR 90 N -0.05 0.29 -3.53 2.95 1.35 -1.89 -3.36 112.91 108.67 1tm9 h THR 90 Ca 0.03 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.20 1tm9 h THR 90 Cb 0.24 0.29 -0.34 0.00 -1.73 0.00 0.00 68.15 66.61 1tm9 h THR 90 CO -0.00 0.00 -0.57 0.54 -0.25 0.00 0.00 175.52 175.24 1tm9 s ASN 91 N -4.60 5.21 -0.06 5.36 4.22 -1.21 -4.93 114.94 118.94 1tm9 s ASN 91 Ca -0.17 -1.88 -0.14 0.00 -2.14 0.00 0.00 52.86 48.52 1tm9 s ASN 91 Cb 0.06 -1.81 -0.30 0.00 1.28 0.00 0.00 41.25 40.47 1tm9 s ASN 91 CO 0.63 -0.49 0.70 0.28 -2.04 0.00 0.00 177.10 176.18 1tm9 h SER 92 N 8.05 0.56 -0.90 3.54 0.02 -1.68 -2.95 113.55 120.19 1tm9 h SER 92 Ca -0.15 -0.91 0.15 0.00 -0.84 0.00 0.00 61.79 60.04 1tm9 h SER 92 Cb 1.05 -0.18 -0.15 0.00 0.14 0.00 0.00 62.40 63.26 1tm9 h SER 92 CO 0.67 1.68 -0.33 -0.62 -1.14 0.00 0.00 176.83 177.09 1tm9 n GLU 93 N -3.78 -0.19 -0.04 3.45 1.02 -1.26 0.98 120.64 120.83 1tm9 n GLU 93 Ca -0.23 1.39 -0.14 0.00 -0.02 0.00 0.00 57.16 58.16 1tm9 n GLU 93 Cb 1.00 -2.06 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 1tm9 n GLU 93 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1tm9 h PRO 94 N 0.00 0.07 -0.98 3.49 0.13 -1.95 -2.87 132.00 129.89 1tm9 h PRO 94 Ca 0.33 -0.07 0.28 0.00 -0.87 0.00 0.00 66.00 65.68 1tm9 h PRO 94 Cb 0.56 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.67 1tm9 h PRO 94 CO -0.90 0.80 0.84 0.00 -0.23 0.00 0.00 178.00 178.51 1tm9 h ALA 95 N 0.27 2.85 0.19 -0.56 0.00 -0.81 0.61 119.26 121.80 1tm9 h ALA 95 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1tm9 h ALA 95 Cb 0.83 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1tm9 h ALA 95 CO 0.02 -1.34 -0.09 0.82 0.00 0.00 0.00 179.25 178.65 1tm9 h ILE 96 N 0.00 0.04 -0.94 0.00 2.04 0.67 -2.31 117.51 117.01 1tm9 h ILE 96 Ca 0.46 -0.84 0.21 0.00 1.00 0.00 0.00 64.86 65.70 1tm9 h ILE 96 Cb 2.14 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 1tm9 h ILE 96 CO -0.00 0.01 0.62 0.40 0.00 0.00 0.00 178.15 179.17 1tm9 h ILE 97 N -1.06 0.65 0.53 -0.67 5.03 -0.62 -0.99 117.51 120.38 1tm9 h ILE 97 Ca -0.03 -0.15 -0.03 0.00 -0.12 0.00 0.00 64.86 64.54 1tm9 h ILE 97 Cb 0.21 0.19 0.01 0.00 -3.03 0.00 0.00 36.82 34.19 1tm9 h ILE 97 CO 0.04 0.08 -0.25 -0.26 -0.68 0.00 0.00 178.15 177.08 1tm9 h PHE 98 N 0.43 -0.66 -0.63 1.37 0.04 0.04 -0.87 116.94 116.66 1tm9 h PHE 98 Ca 0.50 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.33 1tm9 h PHE 98 Cb 1.22 0.22 -0.10 0.00 2.20 0.00 0.00 35.95 39.49 1tm9 h PHE 98 CO -0.00 -0.41 -0.54 0.00 -0.60 0.00 0.00 178.31 176.76 1tm9 h VAL 100 N -0.24 0.00 -0.59 0.00 2.07 -1.23 1.15 116.25 117.41 1tm9 h VAL 100 Ca 0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1tm9 h VAL 100 Cb 0.53 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 1tm9 h VAL 100 CO -0.73 0.00 0.20 0.40 0.02 0.00 0.00 177.57 177.46 1tm9 h ILE 101 N -0.22 0.75 0.00 4.57 1.08 0.49 -0.59 117.51 123.59 1tm9 h ILE 101 Ca 0.08 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1tm9 h ILE 101 Cb 0.44 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1tm9 h ILE 101 CO -0.59 0.07 0.00 -1.22 -0.69 0.00 0.00 178.15 175.71 1tm9 n TYR 102 N -5.03 0.00 -0.30 1.37 4.01 0.55 -0.96 117.16 116.80 1tm9 n TYR 102 Ca 0.08 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.86 1tm9 n TYR 102 Cb 0.28 -0.24 0.09 0.00 -0.31 0.00 0.00 39.34 39.16 1tm9 n TYR 102 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1tm9 n PHE 103 N -1.32 0.23 -0.10 -0.72 7.35 0.36 0.19 117.46 123.45 1tm9 n PHE 103 Ca 0.00 1.01 -0.06 0.00 -0.76 0.00 0.00 57.45 57.64 1tm9 n PHE 103 Cb 0.00 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 38.90 1tm9 n PHE 103 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1tm9 h LEU 104 N 0.00 -0.33 -0.26 -2.13 3.38 -1.04 -1.82 115.31 113.11 1tm9 h LEU 104 Ca 0.37 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.36 1tm9 h LEU 104 Cb 0.57 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1tm9 h LEU 104 CO -0.84 -0.12 -0.17 1.88 0.09 0.00 0.00 178.44 179.29 1tm9 h TYR 105 N -0.00 0.67 -0.80 1.13 0.05 0.39 0.48 116.97 118.88 1tm9 h TYR 105 Ca 0.17 -0.18 0.08 0.00 0.05 0.00 0.00 58.73 58.84 1tm9 h TYR 105 Cb 0.26 -0.15 -0.10 0.00 1.01 0.00 0.00 36.73 37.74 1tm9 h TYR 105 CO -0.32 0.85 -0.55 0.45 -1.05 0.00 0.00 178.16 177.54 1tm9 h HIS 106 N 0.30 -1.74 0.42 4.88 3.86 0.28 -2.75 115.15 120.41 1tm9 h HIS 106 Ca 0.05 0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1tm9 h HIS 106 Cb 0.69 0.86 0.00 0.00 1.06 0.00 0.00 27.41 30.03 1tm9 h HIS 106 CO 0.07 -0.37 -0.20 0.74 0.86 0.00 0.00 177.93 179.02 1tm9 h PHE 107 N -0.09 -0.53 0.00 2.45 0.04 -1.39 -3.48 116.94 113.93 1tm9 h PHE 107 Ca 0.13 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1tm9 h PHE 107 Cb 0.43 0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1tm9 h PHE 107 CO -0.95 -0.33 0.00 0.41 -0.60 0.00 0.00 178.31 176.84 1tm9 n GLY 108 N -0.25 0.00 0.08 -1.45 0.00 -0.48 -5.09 105.19 97.99 1tm9 n GLY 108 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 0.84 -1.64 1.61 3.72 0.16 -4.94 117.46 117.20 1tm9 n PHE 109 Ca 0.00 0.36 -0.39 0.00 -0.05 0.00 0.00 57.45 57.37 1tm9 n PHE 109 Cb 0.00 -0.81 0.04 0.00 -0.94 0.00 0.00 39.48 37.77 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 -4.56 3.76 -4.53 4.37 4.77 -1.24 -4.76 117.00 114.81 1tm9 n LEU 110 Ca -0.13 0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 56.33 1tm9 n LEU 110 Cb 0.37 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 1tm9 n LEU 110 CO 0.13 -1.46 1.92 0.29 -1.33 0.00 0.00 177.39 176.93 1tm9 n LYS 111 N -0.64 1.30 -2.87 3.23 4.01 -1.26 -4.79 118.16 117.14 1tm9 n LYS 111 Ca 0.11 0.27 0.00 0.00 -0.51 0.00 0.00 58.31 58.19 1tm9 n LYS 111 Cb 0.44 -2.95 0.01 0.00 -0.51 0.00 0.00 35.03 32.02 1tm9 n LYS 111 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1tm9 s ASP 112 N 9.18 -0.76 0.74 4.39 2.15 -1.26 -5.05 116.67 126.05 1tm9 s ASP 112 Ca 1.05 -0.53 -0.17 0.00 0.43 0.00 0.00 52.55 53.33 1tm9 s ASP 112 Cb -0.51 0.98 -0.15 0.00 -0.30 0.00 0.00 42.92 42.94 1tm9 s ASP 112 CO 0.38 -0.07 -0.44 -3.20 -0.17 0.00 0.00 175.17 171.67 1tm9 n ASN 113 N 3.61 -4.76 -3.21 -0.34 2.85 -1.26 -4.57 115.26 107.58 1tm9 n ASN 113 Ca 0.09 0.43 -0.23 0.00 -0.11 0.00 0.00 54.58 54.77 1tm9 n ASN 113 Cb 0.61 -0.81 -0.02 0.00 1.24 0.00 0.00 39.78 40.80 1tm9 n ASN 113 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1tm9 n ASN 114 N 2.93 4.31 0.00 1.20 6.94 -1.26 -2.07 115.26 127.31 1tm9 n ASN 114 Ca 0.03 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.26 1tm9 n ASN 114 Cb 0.51 -1.05 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1tm9 n ASN 114 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1tm9 n LYS 115 N 4.57 0.00 -1.70 -3.83 4.81 -1.26 -5.13 118.16 115.61 1tm9 n LYS 115 Ca 0.42 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.45 1tm9 n LYS 115 Cb 0.15 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.21 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 -1.53 1.91 0.00 1.64 5.02 -0.88 -4.94 118.16 119.38 1tm9 n LYS 116 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1tm9 n LYS 116 Cb 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1tm9 n LYS 116 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1tm9 n GLN 117 N -0.03 0.00 0.00 1.97 1.13 -1.26 -4.83 117.38 114.35 1tm9 n GLN 117 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1tm9 n GLN 117 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.75 1tm9 n GLN 117 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 1tm9 n ILE 118 N -2.32 0.00 0.28 5.09 3.06 -1.26 0.20 119.36 124.42 1tm9 n ILE 118 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 1tm9 n ILE 118 Cb 0.00 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.12 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 -0.75 9.51 1.08 -1.97 -0.34 117.51 125.04 1tm9 h ILE 119 Ca 0.00 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.69 1tm9 h ILE 119 Cb 0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 1tm9 h ILE 119 CO 0.00 0.00 0.83 0.50 -0.69 0.00 0.00 178.15 178.79 1tm9 h LYS 120 N -0.74 0.00 -0.12 2.37 3.64 0.20 1.66 116.57 123.57 1tm9 h LYS 120 Ca -0.07 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 1tm9 h LYS 120 Cb 0.57 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1tm9 h LYS 120 CO 0.11 0.00 -0.51 -0.22 -2.27 0.00 0.00 179.45 176.56 1tm9 h LYS 121 N 0.00 0.56 0.17 1.90 3.11 0.01 -2.20 116.57 120.12 1tm9 h LYS 121 Ca 0.36 -0.44 -0.01 0.00 -2.81 0.00 0.00 60.65 57.75 1tm9 h LYS 121 Cb 2.01 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 33.33 1tm9 h LYS 121 CO -0.00 1.06 -0.08 0.00 -2.81 0.00 0.00 179.45 177.62 1tm9 h ALA 122 N 0.50 -0.40 -1.00 5.00 0.00 0.39 -1.58 119.26 122.18 1tm9 h ALA 122 Ca -0.03 -0.05 0.38 0.00 0.00 0.00 0.00 54.91 55.22 1tm9 h ALA 122 Cb 1.14 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 1tm9 h ALA 122 CO 0.11 -0.38 0.52 1.88 0.00 0.00 0.00 179.25 181.37 1tm9 h TYR 123 N -0.54 0.81 -0.26 0.00 0.05 -0.71 1.70 116.97 118.02 1tm9 h TYR 123 Ca -0.02 0.04 -0.17 0.00 0.05 0.00 0.00 58.73 58.63 1tm9 h TYR 123 Cb 0.17 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 1tm9 h TYR 123 CO 0.04 -0.39 -0.51 1.49 -1.05 0.00 0.00 178.16 177.74 1tm9 h GLU 124 N 0.10 0.73 -0.23 4.88 4.81 -1.45 0.31 114.58 123.73 1tm9 h GLU 124 Ca 0.80 -0.44 0.07 0.00 -0.13 0.00 0.00 59.36 59.66 1tm9 h GLU 124 Cb 2.02 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.43 1tm9 h GLU 124 CO -0.73 1.06 0.19 0.00 -0.73 0.00 0.00 179.01 178.81 1tm9 h THR 125 N 0.57 0.71 0.00 0.32 1.03 0.36 0.19 112.91 116.10 1tm9 h THR 125 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.30 1tm9 h THR 125 Cb 1.08 0.86 -0.02 0.00 -1.07 0.00 0.00 68.15 69.00 1tm9 h THR 125 CO 0.11 0.00 -1.09 -0.38 -0.01 0.00 0.00 175.52 174.15 1tm9 n ILE 126 N -4.20 1.48 -0.06 0.00 5.41 -0.67 -2.33 119.36 118.98 1tm9 n ILE 126 Ca 0.03 0.06 0.24 0.00 1.00 0.00 0.00 62.75 64.08 1tm9 n ILE 126 Cb 0.33 -2.23 0.61 0.00 -0.71 0.00 0.00 39.64 37.63 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 -0.89 2.52 0.00 -1.39 0.00 -0.22 1.54 119.26 120.82 1tm9 h ALA 127 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1tm9 h ALA 127 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1tm9 h ALA 127 CO -0.11 -1.18 -0.46 -0.44 0.00 0.00 0.00 179.25 177.06 1tm9 h ASP 128 N 0.00 0.00 -1.01 0.00 3.32 -0.77 -3.16 116.42 114.81 1tm9 h ASP 128 Ca 0.34 0.00 0.25 0.00 0.02 0.00 0.00 57.03 57.64 1tm9 h ASP 128 Cb 1.97 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.44 1tm9 h ASP 128 CO -0.00 0.72 0.67 0.78 -1.72 0.00 0.00 179.24 179.68 1tm9 h ASN 129 N -0.98 0.36 0.41 6.45 4.21 -0.70 1.52 115.58 126.86 1tm9 h ASN 129 Ca 0.00 0.06 -0.11 0.00 1.21 0.00 0.00 56.30 57.46 1tm9 h ASN 129 Cb 0.46 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 1tm9 h ASN 129 CO 0.00 0.10 -0.48 -0.29 -1.29 0.00 0.00 177.43 175.47 1tm9 h ILE 130 N 0.34 1.34 -0.01 2.81 2.10 0.20 -1.46 117.51 122.82 1tm9 h ILE 130 Ca 0.54 -1.66 0.00 0.00 1.08 0.00 0.00 64.86 64.83 1tm9 h ILE 130 Cb 1.49 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 39.07 1tm9 h ILE 130 CO -0.21 0.48 0.00 0.00 -1.08 0.00 0.00 178.15 177.34 1tm9 n ALA 131 N -2.46 2.63 0.05 0.18 0.00 0.51 -2.95 120.51 118.47 1tm9 n ALA 131 Ca -0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1tm9 n ALA 131 Cb 0.51 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 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 0.19 0.06 0.64 0.00 3.58 -0.32 -3.29 116.42 117.28 1tm9 h ASP 132 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1tm9 h ASP 132 Cb 0.04 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1tm9 h ASP 132 CO 0.00 1.06 -1.24 0.00 -2.88 0.00 0.00 179.24 176.18 1tm9 n TYR 133 N -3.32 0.59 0.00 0.28 0.18 -1.15 -4.60 117.16 109.13 1tm9 n TYR 133 Ca -0.05 0.17 0.00 0.00 1.88 0.00 0.00 57.90 59.90 1tm9 n TYR 133 Cb 0.97 -0.74 0.00 0.00 -0.38 0.00 0.00 39.34 39.19 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 -2.42 0.00 0.00 -3.48 4.77 -1.20 -4.99 117.00 109.68 1tm9 n LEU 134 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1tm9 n LEU 134 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1tm9 n LEU 134 CO 0.41 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.01 1tm9 n ASN 135 N -0.13 0.00 -3.19 -1.43 0.23 -1.25 -5.07 115.26 104.41 1tm9 n ASN 135 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1tm9 n ASN 135 Cb 0.00 0.02 0.01 0.00 -2.08 0.00 0.00 39.78 37.73 1tm9 n ASN 135 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1tm9 n GLU 136 N -1.00 -1.69 0.00 -3.83 0.00 -1.26 -5.06 120.64 107.80 1tm9 n GLU 136 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 57.16 58.67 1tm9 n GLU 136 Cb 0.00 -4.72 0.00 0.00 0.00 0.00 0.00 31.44 26.72 1tm9 n GLU 136 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42