#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd5 h SER 33 N 0.00 0.00 -3.16 4.04 0.02 -1.91 -3.44 113.55 109.11 3dd5 h SER 33 Ca 0.00 -0.13 -0.65 0.00 -0.84 0.00 0.00 61.79 60.17 3dd5 h SER 33 Cb 0.00 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.19 3dd5 h SER 33 CO 0.00 0.06 -0.86 -0.89 -1.14 0.00 0.00 176.83 174.01 3dd5 s THR 34 N -3.23 1.92 -0.02 -2.27 2.01 -1.26 -0.14 115.64 112.65 3dd5 s THR 34 Ca 0.04 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.17 3dd5 s THR 34 Cb 0.12 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.93 3dd5 s THR 34 CO 0.74 0.52 0.03 -0.13 -0.69 0.00 0.00 174.62 175.08 3dd5 s ARG 35 N 1.07 -0.03 -0.30 4.92 1.81 -1.26 -4.99 118.95 120.17 3dd5 s ARG 35 Ca -0.02 0.18 0.17 0.00 -1.72 0.00 0.00 55.73 54.35 3dd5 s ARG 35 Cb -0.14 -0.26 0.48 0.00 -0.45 0.00 0.00 34.95 34.58 3dd5 s ARG 35 CO -0.06 -0.17 1.09 0.09 -0.68 0.00 0.00 175.30 175.57 3dd5 n ASN 36 N 4.17 2.49 0.16 0.23 3.02 -1.24 -2.00 115.26 122.08 3dd5 n ASN 36 Ca -0.28 -2.68 0.13 0.00 -0.03 0.00 0.00 54.58 51.72 3dd5 n ASN 36 Cb 0.50 -0.46 0.53 0.00 -0.61 0.00 0.00 39.78 39.74 3dd5 n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3dd5 h GLU 37 N 2.61 0.00 0.00 3.52 5.08 -1.67 -0.10 114.58 124.02 3dd5 h GLU 37 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.10 3dd5 h GLU 37 Cb 1.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 3dd5 h GLU 37 CO 0.43 0.00 -1.57 1.25 -1.00 0.00 0.00 179.01 178.12 3dd5 h LEU 38 N 0.00 0.00 0.01 1.33 5.85 -1.87 -2.75 115.31 117.88 3dd5 h LEU 38 Ca 0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 3dd5 h LEU 38 Cb 0.39 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3dd5 h LEU 38 CO 0.00 1.00 -1.38 -0.33 -0.34 0.00 0.00 178.44 177.38 3dd5 h GLU 39 N 0.00 0.02 -0.00 1.25 5.08 -1.62 -3.33 114.58 115.99 3dd5 h GLU 39 Ca -0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3dd5 h GLU 39 Cb 1.97 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.23 3dd5 h GLU 39 CO 0.09 0.77 -0.52 0.25 -1.00 0.00 0.00 179.01 178.60 3dd5 n THR 40 N -3.22 0.00 -2.73 1.13 -2.24 -0.17 -4.98 114.28 102.07 3dd5 n THR 40 Ca -0.09 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 3dd5 n THR 40 Cb 1.00 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 3dd5 n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dd5 s GLY 41 N -2.88 2.61 -0.03 3.38 0.00 -1.04 -5.06 107.32 104.30 3dd5 s GLY 41 Ca 0.14 0.52 -0.09 0.00 0.00 0.00 0.00 44.72 45.28 3dd5 s GLY 41 CO 0.68 0.89 0.28 -0.45 0.00 0.00 0.00 173.10 174.50 3dd5 s SER 42 N -1.85 6.57 0.23 1.64 0.15 -1.26 -4.99 113.70 114.19 3dd5 s SER 42 Ca 0.58 0.67 -0.04 0.00 0.70 0.00 0.00 55.95 57.86 3dd5 s SER 42 Cb -0.15 -2.14 0.23 0.00 -1.71 0.00 0.00 66.02 62.25 3dd5 s SER 42 CO 0.20 0.32 1.71 0.77 1.20 0.00 0.00 173.24 177.44 3dd5 h SER 43 N 4.51 0.86 0.00 5.45 4.64 -1.98 -3.16 113.55 123.88 3dd5 h SER 43 Ca -0.52 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 3dd5 h SER 43 Cb 1.21 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3dd5 h SER 43 CO 0.62 0.93 0.00 -1.54 -0.87 0.00 0.00 176.83 175.97 3dd5 n SER 44 N -4.19 0.70 -2.68 4.97 3.41 -1.26 -2.27 113.62 112.29 3dd5 n SER 44 Ca 0.03 -0.72 -0.05 0.00 -0.26 0.00 0.00 58.87 57.86 3dd5 n SER 44 Cb 0.32 -0.18 0.08 0.00 -0.26 0.00 0.00 64.21 64.17 3dd5 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 n ALA 45 N 0.56 -1.80 -2.75 7.33 0.00 -1.19 -5.17 120.51 117.49 3dd5 n ALA 45 Ca 0.00 -0.78 -0.35 0.00 0.00 0.00 0.00 53.44 52.31 3dd5 n ALA 45 Cb 0.13 -1.88 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 3dd5 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dd5 s PRO 47 N -1.69 2.66 0.22 0.00 0.04 -1.26 -5.00 135.00 129.98 3dd5 s PRO 47 Ca 0.27 -1.28 -0.03 0.00 0.04 0.00 0.00 61.00 60.00 3dd5 s PRO 47 Cb -0.13 -2.70 0.22 0.00 0.04 0.00 0.00 34.50 31.93 3dd5 s PRO 47 CO 0.15 -0.47 1.64 -0.22 0.04 0.00 0.00 177.00 178.14 3dd5 h LYS 48 N 0.46 0.70 -4.17 4.56 3.64 -1.79 -3.41 116.57 116.56 3dd5 h LYS 48 Ca -0.38 -0.29 -0.44 0.00 -1.27 0.00 0.00 60.65 58.27 3dd5 h LYS 48 Cb 1.28 -0.03 -0.34 0.00 -0.41 0.00 0.00 32.23 32.74 3dd5 h LYS 48 CO 0.45 0.89 -0.78 0.08 -2.27 0.00 0.00 179.45 177.81 3dd5 s VAL 49 N -4.53 0.69 -0.16 2.00 1.01 -0.16 -0.63 120.40 118.63 3dd5 s VAL 49 Ca -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3dd5 s VAL 49 Cb 0.13 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 3dd5 s VAL 49 CO 0.83 0.26 -0.11 -0.63 0.00 0.00 0.00 175.10 175.44 3dd5 s ILE 50 N 0.83 3.03 -0.24 2.22 1.01 0.13 -1.24 121.20 126.94 3dd5 s ILE 50 Ca -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 3dd5 s ILE 50 Cb -0.15 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3dd5 s ILE 50 CO 0.01 0.50 -0.05 -0.47 0.00 0.00 0.00 174.94 174.93 3dd5 s TYR 51 N 0.77 3.01 -0.23 3.97 5.04 -0.09 -1.03 117.35 128.80 3dd5 s TYR 51 Ca -0.05 -1.24 -0.05 0.00 -2.44 0.00 0.00 57.07 53.29 3dd5 s TYR 51 Cb -0.15 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 3dd5 s TYR 51 CO 0.01 -0.64 0.01 0.42 -1.34 0.00 0.00 175.55 174.01 3dd5 s ILE 52 N 1.41 3.86 0.03 3.14 1.01 -0.62 -0.49 121.20 129.53 3dd5 s ILE 52 Ca 0.03 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.42 3dd5 s ILE 52 Cb -0.15 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3dd5 s ILE 52 CO -0.04 0.39 -0.19 0.12 0.00 0.00 0.00 174.94 175.23 3dd5 s PHE 53 N 1.43 2.55 -0.17 3.97 5.36 -0.48 -2.18 117.98 128.45 3dd5 s PHE 53 Ca 0.05 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 3dd5 s PHE 53 Cb -0.15 -1.48 0.02 0.00 -0.34 0.00 0.00 43.02 41.07 3dd5 s PHE 53 CO 0.00 0.22 -0.20 0.00 -1.46 0.00 0.00 175.22 173.78 3dd5 s ALA 54 N -0.88 2.31 1.08 11.12 0.00 -0.27 -0.66 121.76 134.46 3dd5 s ALA 54 Ca 0.14 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 3dd5 s ALA 54 Cb -0.10 -1.14 0.23 0.00 0.00 0.00 0.00 23.12 22.10 3dd5 s ALA 54 CO 0.04 -0.28 1.10 -0.98 0.00 0.00 0.00 175.76 175.65 3dd5 s ARG 55 N 1.18 -0.21 0.75 0.00 1.70 -1.26 -2.08 118.95 119.03 3dd5 s ARG 55 Ca 0.02 0.28 -0.09 0.00 -0.47 0.00 0.00 55.73 55.48 3dd5 s ARG 55 Cb -0.14 -1.68 0.07 0.00 -0.57 0.00 0.00 34.95 32.63 3dd5 s ARG 55 CO -0.10 -3.11 1.08 0.00 -1.08 0.00 0.00 175.30 172.09 3dd5 s ALA 56 N -2.99 2.95 0.63 7.88 0.00 -1.08 -1.86 121.76 127.30 3dd5 s ALA 56 Ca 0.67 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.64 3dd5 s ALA 56 Cb -0.15 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 3dd5 s ALA 56 CO 0.57 -1.46 1.21 -1.12 0.00 0.00 0.00 175.76 174.96 3dd5 s SER 57 N -4.55 4.89 0.00 0.00 0.01 -1.26 -2.69 113.70 110.10 3dd5 s SER 57 Ca 0.61 2.39 0.00 0.00 1.31 0.00 0.00 55.95 60.26 3dd5 s SER 57 Cb -0.11 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3dd5 s SER 57 CO 0.46 -1.80 0.00 0.41 0.41 0.00 0.00 173.24 172.73 3dd5 n THR 58 N -1.93 0.00 -1.62 1.44 -1.04 0.13 -4.96 114.28 106.30 3dd5 n THR 58 Ca 0.14 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.69 3dd5 n THR 58 Cb 0.50 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.98 3dd5 n THR 58 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3dd5 n GLU 59 N -0.79 1.55 -2.42 -2.82 1.02 -1.10 -4.95 120.64 111.13 3dd5 n GLU 59 Ca 0.00 0.55 -0.34 0.00 -0.02 0.00 0.00 57.16 57.35 3dd5 n GLU 59 Cb 0.00 -2.03 -0.02 0.00 -0.02 0.00 0.00 31.44 29.37 3dd5 n GLU 59 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3dd5 s PRO 60 N -1.11 3.69 4.88 3.49 0.04 -1.26 -4.83 135.00 139.90 3dd5 s PRO 60 Ca 0.63 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.99 3dd5 s PRO 60 Cb -0.71 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 31.75 3dd5 s PRO 60 CO 0.56 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3dd5 n GLY 61 N -0.44 1.57 0.02 0.56 0.00 -1.26 -2.18 105.19 103.46 3dd5 n GLY 61 Ca 0.09 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.46 3dd5 n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dd5 n ASN 62 N 2.20 0.35 -0.03 1.61 6.94 0.07 -4.76 115.26 121.64 3dd5 n ASN 62 Ca 0.00 -0.68 -0.00 0.00 -0.02 0.00 0.00 54.58 53.88 3dd5 n ASN 62 Cb 0.00 0.77 -0.07 0.00 -2.36 0.00 0.00 39.78 38.12 3dd5 n ASN 62 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3dd5 n MET 63 N -0.78 1.53 0.00 -3.83 2.81 0.80 -3.72 117.12 113.93 3dd5 n MET 63 Ca 0.01 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3dd5 n MET 63 Cb 0.04 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 3dd5 n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dd5 n GLY 64 N 2.23 -1.70 0.00 3.03 0.00 -0.93 -3.98 105.19 103.83 3dd5 n GLY 64 Ca -0.09 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3dd5 n GLY 64 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dd5 n ILE 65 N 0.00 0.17 0.00 -0.61 -5.35 -1.26 -4.48 119.36 107.82 3dd5 n ILE 65 Ca 0.00 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3dd5 n ILE 65 Cb 0.00 1.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 3dd5 n ILE 65 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3dd5 n SER 66 N -0.08 0.00 -0.01 7.28 3.41 -1.26 -4.91 113.62 118.04 3dd5 n SER 66 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3dd5 n SER 66 Cb 0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3dd5 n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 h ALA 67 N 1.00 -0.21 0.02 7.33 0.00 -1.95 -2.77 119.26 122.68 3dd5 h ALA 67 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dd5 h ALA 67 Cb 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3dd5 h ALA 67 CO 0.00 -0.70 -0.23 0.78 0.00 0.00 0.00 179.25 179.10 3dd5 h GLY 68 N -0.30 -1.25 -0.25 0.00 0.00 -1.92 -2.12 103.07 97.21 3dd5 h GLY 68 Ca 0.11 0.61 0.18 0.00 0.00 0.00 0.00 47.33 48.23 3dd5 h GLY 68 CO -0.34 -0.40 0.13 -2.55 0.00 0.00 0.00 176.54 173.39 3dd5 h PRO 69 N -0.30 0.19 -0.16 4.80 0.11 -1.73 -1.56 132.00 133.36 3dd5 h PRO 69 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3dd5 h PRO 69 Cb 0.31 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3dd5 h PRO 69 CO -0.14 0.13 0.04 0.82 -0.21 0.00 0.00 178.00 178.63 3dd5 h ILE 70 N 0.20 1.20 -0.09 4.15 2.04 -1.16 -1.16 117.51 122.69 3dd5 h ILE 70 Ca 0.45 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3dd5 h ILE 70 Cb 0.81 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3dd5 h ILE 70 CO -0.60 0.20 -0.03 0.58 0.00 0.00 0.00 178.15 178.30 3dd5 h VAL 71 N 0.06 1.30 -0.22 1.67 2.07 -1.26 -2.82 116.25 117.06 3dd5 h VAL 71 Ca 0.05 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.66 3dd5 h VAL 71 Cb 0.27 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3dd5 h VAL 71 CO 0.00 0.27 0.39 0.00 0.02 0.00 0.00 177.57 178.26 3dd5 h ALA 72 N 0.66 1.76 0.04 1.67 0.00 -1.18 -1.16 119.26 121.05 3dd5 h ALA 72 Ca 0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 3dd5 h ALA 72 Cb 0.44 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3dd5 h ALA 72 CO 0.01 -0.51 -1.67 -0.44 0.00 0.00 0.00 179.25 176.64 3dd5 h ASP 73 N 0.00 0.13 0.27 0.00 3.32 -1.01 -3.07 116.42 116.07 3dd5 h ASP 73 Ca 0.10 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3dd5 h ASP 73 Cb 0.89 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3dd5 h ASP 73 CO -0.00 1.23 -0.14 0.00 -1.72 0.00 0.00 179.24 178.61 3dd5 h ALA 74 N 0.75 -0.37 -0.38 3.45 0.00 -0.99 -0.13 119.26 121.59 3dd5 h ALA 74 Ca -0.28 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3dd5 h ALA 74 Cb 2.00 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.90 3dd5 h ALA 74 CO 0.10 -0.71 0.16 -0.07 0.00 0.00 0.00 179.25 178.72 3dd5 h LEU 75 N -0.37 0.20 -0.73 0.00 3.38 -1.53 0.48 115.31 116.75 3dd5 h LEU 75 Ca -0.04 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3dd5 h LEU 75 Cb 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3dd5 h LEU 75 CO 0.05 0.15 0.37 -0.33 0.09 0.00 0.00 178.44 178.78 3dd5 h GLU 76 N 0.33 0.62 -0.36 1.13 5.08 -1.52 0.22 114.58 120.07 3dd5 h GLU 76 Ca 0.17 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3dd5 h GLU 76 Cb 0.12 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3dd5 h GLU 76 CO -0.15 0.41 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.11 3dd5 h ARG 77 N 0.64 0.61 0.04 2.33 1.12 0.99 0.67 114.38 120.77 3dd5 h ARG 77 Ca 0.35 -0.17 -0.29 0.00 -1.11 0.00 0.00 59.98 58.77 3dd5 h ARG 77 Cb 0.36 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 30.21 3dd5 h ARG 77 CO -0.26 0.68 -1.58 0.82 -3.11 0.00 0.00 179.97 176.51 3dd5 h ILE 78 N 0.56 1.03 0.00 1.20 2.04 0.49 -3.40 117.51 119.44 3dd5 h ILE 78 Ca 0.11 -2.81 0.00 0.00 1.00 0.00 0.00 64.86 63.16 3dd5 h ILE 78 Cb 0.46 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3dd5 h ILE 78 CO 0.02 0.68 0.00 -1.22 0.00 0.00 0.00 178.15 177.63 3dd5 n TYR 79 N -3.22 0.00 -0.12 1.37 4.02 0.71 -5.08 117.16 114.84 3dd5 n TYR 79 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3dd5 n TYR 79 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 3dd5 n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dd5 n GLY 80 N 0.95 -3.16 0.35 2.72 0.00 0.23 -4.05 105.19 102.24 3dd5 n GLY 80 Ca 0.00 -1.10 0.18 0.00 0.00 0.00 0.00 46.02 45.10 3dd5 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dd5 h ALA 81 N 0.14 1.82 -0.92 4.61 0.00 -1.89 0.54 119.26 123.56 3dd5 h ALA 81 Ca 0.00 0.12 0.26 0.00 0.00 0.00 0.00 54.91 55.29 3dd5 h ALA 81 Cb 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.65 3dd5 h ALA 81 CO 0.00 -0.29 0.20 -0.91 0.00 0.00 0.00 179.25 178.26 3dd5 h ASN 82 N 0.58 -0.11 0.11 0.00 2.35 -1.95 -2.77 115.58 113.79 3dd5 h ASN 82 Ca 0.64 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 56.62 3dd5 h ASN 82 Cb 1.24 0.33 0.00 0.00 0.05 0.00 0.00 38.32 39.94 3dd5 h ASN 82 CO -0.46 -0.24 -0.18 0.47 -1.65 0.00 0.00 177.43 175.36 3dd5 n ASP 83 N -5.31 1.40 -4.08 5.81 9.92 0.19 -4.61 116.55 119.88 3dd5 n ASP 83 Ca 0.23 -1.22 -0.28 0.00 -0.53 0.00 0.00 54.79 52.99 3dd5 n ASP 83 Cb 0.76 0.12 -0.17 0.00 -0.64 0.00 0.00 41.12 41.19 3dd5 n ASP 83 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3dd5 s VAL 84 N -2.31 1.51 -0.38 2.53 1.01 -1.05 -0.99 120.40 120.73 3dd5 s VAL 84 Ca 0.28 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 3dd5 s VAL 84 Cb 0.20 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3dd5 s VAL 84 CO 0.45 0.44 0.33 0.26 0.00 0.00 0.00 175.10 176.58 3dd5 s TRP 85 N 0.82 3.22 -0.23 5.22 0.51 -0.37 -4.85 118.94 123.25 3dd5 s TRP 85 Ca -0.10 -0.34 -0.16 0.00 -2.12 0.00 0.00 56.10 53.38 3dd5 s TRP 85 Cb -0.16 -2.64 -0.04 0.00 -0.81 0.00 0.00 33.47 29.82 3dd5 s TRP 85 CO 0.01 -0.53 0.40 0.08 -0.51 0.00 0.00 176.95 176.40 3dd5 s VAL 86 N 1.85 5.18 -0.01 4.03 1.01 -1.26 -0.91 120.40 130.29 3dd5 s VAL 86 Ca 0.08 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.74 3dd5 s VAL 86 Cb -0.18 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3dd5 s VAL 86 CO 0.11 0.21 -0.00 -1.58 0.00 0.00 0.00 175.10 173.83 3dd5 s GLN 87 N 1.65 0.15 0.05 2.72 2.00 0.36 -1.68 119.66 124.91 3dd5 s GLN 87 Ca 0.18 0.02 0.01 0.00 -2.00 0.00 0.00 55.36 53.56 3dd5 s GLN 87 Cb -0.15 -0.24 -0.04 0.00 0.80 0.00 0.00 33.01 33.38 3dd5 s GLN 87 CO 0.09 -0.04 0.13 0.20 -0.50 0.00 0.00 175.29 175.17 3dd5 s GLY 88 N 0.41 2.09 -0.67 2.59 0.00 -0.85 -1.38 107.32 109.52 3dd5 s GLY 88 Ca -0.04 -0.90 -0.26 0.00 0.00 0.00 0.00 44.72 43.52 3dd5 s GLY 88 CO -0.01 -0.85 1.69 0.14 0.00 0.00 0.00 173.10 174.07 3dd5 s VAL 89 N -1.38 3.47 0.00 1.40 1.01 0.17 -4.88 120.40 120.19 3dd5 s VAL 89 Ca 0.30 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3dd5 s VAL 89 Cb -0.12 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3dd5 s VAL 89 CO 0.22 -1.20 0.00 0.61 0.00 0.00 0.00 175.10 174.73 3dd5 n GLY 90 N 5.68 0.86 5.67 4.51 0.00 -1.26 -4.78 105.19 115.87 3dd5 n GLY 90 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3dd5 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dd5 n GLY 91 N 5.00 1.66 0.00 -0.02 0.00 -1.26 -1.54 105.19 109.03 3dd5 n GLY 91 Ca 0.00 0.31 0.09 0.00 0.00 0.00 0.00 46.02 46.42 3dd5 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dd5 n PRO 92 N 9.07 0.18 -2.53 1.61 -0.04 -1.26 -4.45 135.00 137.58 3dd5 n PRO 92 Ca 0.00 0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 3dd5 n PRO 92 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3dd5 n PRO 92 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3dd5 s TYR 93 N -2.71 2.32 -0.51 0.54 5.04 -0.59 -4.60 117.35 116.84 3dd5 s TYR 93 Ca 0.15 -0.21 0.24 0.00 -2.44 0.00 0.00 57.07 54.80 3dd5 s TYR 93 Cb 0.12 -4.63 0.44 0.00 0.35 0.00 0.00 41.96 38.25 3dd5 s TYR 93 CO 0.30 -2.05 1.61 -0.07 -1.34 0.00 0.00 175.55 174.00 3dd5 h LEU 94 N 13.12 0.00 -0.40 6.97 3.38 -1.86 -3.45 115.31 133.07 3dd5 h LEU 94 Ca -0.16 -0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.34 3dd5 h LEU 94 Cb 1.04 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 3dd5 h LEU 94 CO 1.31 0.00 -0.70 0.00 0.09 0.00 0.00 178.44 179.15 3dd5 n ALA 95 N -2.01 -1.18 -1.57 1.53 0.00 -1.26 -4.72 120.51 111.30 3dd5 n ALA 95 Ca 0.04 0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 3dd5 n ALA 95 Cb 0.50 -3.52 0.05 0.00 0.00 0.00 0.00 19.45 16.48 3dd5 n ALA 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3dd5 s ASP 96 N -3.06 4.98 0.31 0.00 1.47 -1.26 0.22 116.67 119.32 3dd5 s ASP 96 Ca 0.59 2.21 0.01 0.00 1.18 0.00 0.00 52.55 56.54 3dd5 s ASP 96 Cb -0.31 -2.58 0.49 0.00 -0.34 0.00 0.00 42.92 40.19 3dd5 s ASP 96 CO 0.72 -1.73 1.88 -0.07 0.68 0.00 0.00 175.17 176.66 3dd5 h LEU 97 N 0.32 0.72 -1.00 2.11 3.38 -1.95 -3.24 115.31 115.65 3dd5 h LEU 97 Ca -0.48 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 3dd5 h LEU 97 Cb 1.27 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3dd5 h LEU 97 CO 0.54 0.67 -0.02 0.00 0.09 0.00 0.00 178.44 179.71 3dd5 h ALA 98 N 1.44 1.00 0.00 1.53 0.00 -2.01 -2.57 119.26 118.64 3dd5 h ALA 98 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3dd5 h ALA 98 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dd5 h ALA 98 CO -0.01 0.03 -0.19 0.77 0.00 0.00 0.00 179.25 179.85 3dd5 h SER 99 N 0.00 0.00 0.00 0.00 0.02 -1.92 -3.12 113.55 108.53 3dd5 h SER 99 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dd5 h SER 99 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3dd5 h SER 99 CO 0.00 0.19 0.12 0.78 -1.14 0.00 0.00 176.83 176.78 3dd5 h ASN 100 N 0.00 0.00 0.20 3.07 2.35 -1.58 -2.50 115.58 117.13 3dd5 h ASN 100 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dd5 h ASN 100 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3dd5 h ASN 100 CO 0.02 0.00 -1.66 0.49 -1.65 0.00 0.00 177.43 174.63 3dd5 n PHE 101 N -3.01 0.18 -1.55 1.19 3.72 -1.18 -4.38 117.46 112.44 3dd5 n PHE 101 Ca -0.03 0.05 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 3dd5 n PHE 101 Cb 0.18 -0.53 0.01 0.00 -0.94 0.00 0.00 39.48 38.21 3dd5 n PHE 101 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dd5 n LEU 102 N -2.23 1.66 -0.30 4.37 4.77 -1.07 -4.84 117.00 119.35 3dd5 n LEU 102 Ca -0.02 0.97 0.14 0.00 -0.03 0.00 0.00 56.01 57.07 3dd5 n LEU 102 Cb 0.53 -1.26 0.39 0.00 -2.33 0.00 0.00 43.42 40.75 3dd5 n LEU 102 CO 0.44 -2.06 1.21 1.55 -1.33 0.00 0.00 177.39 177.20 3dd5 h PRO 103 N 1.16 0.64 -0.42 3.23 0.13 -1.89 0.15 132.00 134.99 3dd5 h PRO 103 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dd5 h PRO 103 Cb 1.36 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3dd5 h PRO 103 CO 0.54 0.42 0.00 -0.25 -0.23 0.00 0.00 178.00 178.48 3dd5 n ASP 104 N -4.63 1.78 0.00 1.44 10.43 -1.26 -4.91 116.55 119.40 3dd5 n ASP 104 Ca 0.21 -2.09 0.00 0.00 2.57 0.00 0.00 54.79 55.48 3dd5 n ASP 104 Cb 0.58 -0.28 0.00 0.00 1.84 0.00 0.00 41.12 43.26 3dd5 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dd5 n GLY 105 N 0.75 0.85 0.00 0.44 0.00 0.52 -4.79 105.19 102.96 3dd5 n GLY 105 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3dd5 n GLY 105 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dd5 n THR 106 N -2.23 0.00 -4.30 2.61 5.66 -0.96 -3.94 114.28 111.12 3dd5 n THR 106 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 3dd5 n THR 106 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 3dd5 n THR 106 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dd5 s SER 107 N 0.11 5.17 0.18 1.09 1.04 -1.26 -4.72 113.70 115.32 3dd5 s SER 107 Ca 0.00 0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.31 3dd5 s SER 107 Cb 0.00 -1.39 0.17 0.00 0.10 0.00 0.00 66.02 64.90 3dd5 s SER 107 CO 0.00 0.30 1.30 -0.24 0.98 0.00 0.00 173.24 175.58 3dd5 n SER 108 N 1.57 -0.59 -0.34 7.02 2.88 -1.26 -0.10 113.62 122.80 3dd5 n SER 108 Ca -0.15 1.46 0.02 0.00 -1.33 0.00 0.00 58.87 58.87 3dd5 n SER 108 Cb 0.53 -0.32 0.18 0.00 -0.75 0.00 0.00 64.21 63.86 3dd5 n SER 108 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dd5 h ALA 109 N 1.06 1.41 0.81 -1.46 0.00 -1.94 0.16 119.26 119.29 3dd5 h ALA 109 Ca 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3dd5 h ALA 109 Cb 0.48 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dd5 h ALA 109 CO -0.82 0.47 -0.39 0.00 0.00 0.00 0.00 179.25 178.51 3dd5 h ALA 110 N 1.46 -1.09 -0.76 0.00 0.00 -0.76 -1.38 119.26 116.73 3dd5 h ALA 110 Ca 0.40 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.22 3dd5 h ALA 110 Cb 0.08 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 3dd5 h ALA 110 CO -0.14 -1.02 -0.17 0.82 0.00 0.00 0.00 179.25 178.75 3dd5 h ILE 111 N -1.28 0.25 -0.11 0.00 2.04 -0.93 -0.66 117.51 116.83 3dd5 h ILE 111 Ca -0.11 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3dd5 h ILE 111 Cb 0.84 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3dd5 h ILE 111 CO 0.18 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 179.07 3dd5 h ASN 112 N 0.01 0.14 0.19 1.72 -0.26 -0.65 -1.66 115.58 115.07 3dd5 h ASN 112 Ca 0.37 -0.02 -0.24 0.00 -0.56 0.00 0.00 56.30 55.86 3dd5 h ASN 112 Cb 0.58 -0.04 0.01 0.00 -1.06 0.00 0.00 38.32 37.81 3dd5 h ASN 112 CO -0.77 0.22 -0.96 -0.08 -1.06 0.00 0.00 177.43 174.78 3dd5 h GLU 113 N 0.16 0.53 0.21 0.81 4.57 0.02 -1.76 114.58 119.12 3dd5 h GLU 113 Ca 0.04 -0.56 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 3dd5 h GLU 113 Cb 0.19 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3dd5 h GLU 113 CO 0.01 1.19 -0.11 0.00 -1.18 0.00 0.00 179.01 178.92 3dd5 h ALA 114 N 0.62 -0.29 -0.70 2.92 0.00 -1.05 -2.50 119.26 118.27 3dd5 h ALA 114 Ca -0.09 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.87 3dd5 h ALA 114 Cb 1.59 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.38 3dd5 h ALA 114 CO 0.18 -0.66 -0.35 0.00 0.00 0.00 0.00 179.25 178.41 3dd5 h ARG 115 N -0.29 -0.12 -0.97 0.00 3.08 -1.27 -1.07 114.38 113.74 3dd5 h ARG 115 Ca -0.03 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.07 3dd5 h ARG 115 Cb 0.23 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 3dd5 h ARG 115 CO 0.04 -0.08 0.63 -0.09 -1.07 0.00 0.00 179.97 179.40 3dd5 h ARG 116 N -0.12 1.17 -0.00 0.04 2.43 -1.19 0.72 114.38 117.42 3dd5 h ARG 116 Ca 0.26 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3dd5 h ARG 116 Cb 0.56 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3dd5 h ARG 116 CO -0.76 0.77 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.40 3dd5 h LEU 117 N 1.20 0.01 -0.40 3.80 3.38 -0.98 0.15 115.31 122.48 3dd5 h LEU 117 Ca 0.39 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3dd5 h LEU 117 Cb 0.04 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 3dd5 h LEU 117 CO -0.13 0.38 -0.51 -0.26 0.09 0.00 0.00 178.44 178.01 3dd5 h PHE 118 N -0.36 -1.55 -0.45 1.13 0.04 -0.78 0.12 116.94 115.10 3dd5 h PHE 118 Ca 0.00 0.08 0.06 0.00 2.80 0.00 0.00 57.97 60.90 3dd5 h PHE 118 Cb 0.37 0.73 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 3dd5 h PHE 118 CO 0.05 -0.48 0.30 1.15 -0.60 0.00 0.00 178.31 178.74 3dd5 h THR 119 N -0.38 0.97 0.17 -1.55 2.02 -0.85 0.10 112.91 113.38 3dd5 h THR 119 Ca 0.10 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3dd5 h THR 119 Cb 0.60 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3dd5 h THR 119 CO -0.59 0.07 -0.08 0.25 0.37 0.00 0.00 175.52 175.54 3dd5 h LEU 120 N 0.38 -0.19 -0.86 2.58 6.46 0.78 -0.79 115.31 123.67 3dd5 h LEU 120 Ca 0.19 -0.18 0.21 0.00 -0.12 0.00 0.00 57.88 57.98 3dd5 h LEU 120 Cb 0.29 0.05 -0.12 0.00 -0.73 0.00 0.00 40.66 40.14 3dd5 h LEU 120 CO -0.05 0.08 0.32 0.00 -0.62 0.00 0.00 178.44 178.18 3dd5 h ALA 121 N 0.31 1.31 -0.33 1.25 0.00 -0.36 -0.49 119.26 120.95 3dd5 h ALA 121 Ca -0.02 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3dd5 h ALA 121 Cb 0.36 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3dd5 h ALA 121 CO 0.04 -0.36 -0.36 -0.97 0.00 0.00 0.00 179.25 177.60 3dd5 h ASN 122 N 0.35 0.88 1.57 0.00 -1.24 -0.65 0.93 115.58 117.42 3dd5 h ASN 122 Ca 0.53 -0.48 -0.07 0.00 0.71 0.00 0.00 56.30 56.99 3dd5 h ASN 122 Cb 0.99 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.78 3dd5 h ASN 122 CO -0.54 1.18 -0.34 0.71 -1.29 0.00 0.00 177.43 177.15 3dd5 h THR 123 N 0.60 0.60 0.01 -3.57 1.35 -0.95 -3.23 112.91 107.73 3dd5 h THR 123 Ca 0.05 -1.78 -0.33 0.00 -0.55 0.00 0.00 66.41 63.80 3dd5 h THR 123 Cb 0.95 2.24 -0.05 0.00 -1.73 0.00 0.00 68.15 69.56 3dd5 h THR 123 CO 0.09 0.33 -1.97 1.17 -0.25 0.00 0.00 175.52 174.89 3dd5 n LYS 124 N -3.21 0.66 -3.20 4.72 4.81 -0.21 -4.72 118.16 117.02 3dd5 n LYS 124 Ca 0.02 0.20 -0.22 0.00 -0.87 0.00 0.00 58.31 57.44 3dd5 n LYS 124 Cb 0.65 -1.69 -0.07 0.00 0.02 0.00 0.00 35.03 33.94 3dd5 n LYS 124 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dd5 n PRO 126 N 2.18 0.05 0.00 0.00 -0.05 -1.22 -2.31 135.00 133.65 3dd5 n PRO 126 Ca 0.24 0.22 0.08 0.00 -0.05 0.00 0.00 63.50 63.98 3dd5 n PRO 126 Cb 0.52 -1.59 -0.05 0.00 -0.05 0.00 0.00 33.50 32.33 3dd5 n PRO 126 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3dd5 n ASN 127 N -1.69 1.20 -4.77 3.54 3.02 -1.26 -4.95 115.26 110.36 3dd5 n ASN 127 Ca 0.04 -1.10 -0.39 0.00 -0.03 0.00 0.00 54.58 53.10 3dd5 n ASN 127 Cb 0.24 0.75 -0.01 0.00 -0.61 0.00 0.00 39.78 40.15 3dd5 n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dd5 s ALA 128 N -2.25 3.24 0.19 5.41 0.00 -0.98 -5.02 121.76 122.35 3dd5 s ALA 128 Ca 0.10 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 3dd5 s ALA 128 Cb 0.13 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 3dd5 s ALA 128 CO 0.55 -0.73 1.00 0.00 0.00 0.00 0.00 175.76 176.57 3dd5 s ALA 129 N -1.29 3.32 -0.24 0.00 0.00 0.20 -4.91 121.76 118.85 3dd5 s ALA 129 Ca 0.57 0.67 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 3dd5 s ALA 129 Cb -0.36 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3dd5 s ALA 129 CO 0.46 0.01 -0.01 0.42 0.00 0.00 0.00 175.76 176.64 3dd5 s ILE 130 N -0.62 3.60 0.11 0.00 1.01 -0.82 -0.70 121.20 123.78 3dd5 s ILE 130 Ca 0.45 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.68 3dd5 s ILE 130 Cb -0.26 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3dd5 s ILE 130 CO 0.33 0.36 -0.04 0.68 0.00 0.00 0.00 174.94 176.27 3dd5 s VAL 131 N 1.50 3.71 0.04 2.92 -7.23 -0.20 -1.31 120.40 119.83 3dd5 s VAL 131 Ca 0.05 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 58.98 3dd5 s VAL 131 Cb -0.15 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 3dd5 s VAL 131 CO -0.01 0.06 0.09 -0.94 -0.31 0.00 0.00 175.10 173.99 3dd5 s SER 132 N -2.41 0.20 0.00 4.85 1.04 -0.26 -1.59 113.70 115.53 3dd5 s SER 132 Ca 0.25 -0.59 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 3dd5 s SER 132 Cb -0.11 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 3dd5 s SER 132 CO 0.17 -0.54 0.08 -0.83 0.98 0.00 0.00 173.24 173.10 3dd5 s GLY 133 N -2.27 0.09 0.06 7.32 0.00 -0.93 -0.71 107.32 110.89 3dd5 s GLY 133 Ca -0.03 -0.22 0.06 0.00 0.00 0.00 0.00 44.72 44.53 3dd5 s GLY 133 CO -0.06 -0.32 -0.17 -0.32 0.00 0.00 0.00 173.10 172.24 3dd5 s GLY 134 N -1.21 0.96 -0.22 0.20 0.00 -0.74 -1.11 107.32 105.19 3dd5 s GLY 134 Ca -0.13 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.60 3dd5 s GLY 134 CO 0.01 -0.99 -0.11 -0.47 0.00 0.00 0.00 173.10 171.54 3dd5 s TYR 135 N -1.03 2.75 0.00 1.90 5.04 -0.88 -0.38 117.35 124.74 3dd5 s TYR 135 Ca 0.02 -1.88 0.00 0.00 -2.44 0.00 0.00 57.07 52.78 3dd5 s TYR 135 Cb -0.09 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.46 3dd5 s TYR 135 CO 0.02 -0.80 0.00 0.45 -1.34 0.00 0.00 175.55 173.88 3dd5 n SER 136 N 4.59 0.00 -0.33 4.32 2.88 0.14 -2.29 113.62 122.93 3dd5 n SER 136 Ca -0.15 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.46 3dd5 n SER 136 Cb 0.45 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.14 3dd5 n SER 136 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3dd5 h GLN 137 N 0.00 0.83 0.00 -1.46 4.15 -1.83 -0.76 115.11 116.04 3dd5 h GLN 137 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3dd5 h GLN 137 Cb 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.50 3dd5 h GLN 137 CO 0.00 0.55 0.00 0.41 -1.93 0.00 0.00 178.83 177.86 3dd5 n GLY 138 N -1.33 -0.80 0.26 2.39 0.00 -0.78 -0.74 105.19 104.19 3dd5 n GLY 138 Ca 0.18 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 3dd5 n GLY 138 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dd5 h THR 139 N 0.00 1.28 -0.09 2.61 2.02 -1.29 -2.47 112.91 114.97 3dd5 h THR 139 Ca 0.00 -1.41 -0.20 0.00 0.77 0.00 0.00 66.41 65.57 3dd5 h THR 139 Cb 0.04 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3dd5 h THR 139 CO 0.00 0.47 -0.78 0.00 0.37 0.00 0.00 175.52 175.57 3dd5 h ALA 140 N 1.02 0.46 0.18 6.16 0.00 -1.03 0.42 119.26 126.47 3dd5 h ALA 140 Ca 0.08 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.38 3dd5 h ALA 140 Cb 0.80 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3dd5 h ALA 140 CO 0.07 0.74 -0.46 0.28 0.00 0.00 0.00 179.25 179.88 3dd5 h VAL 141 N 0.35 0.10 0.30 0.00 2.07 -1.50 0.14 116.25 117.72 3dd5 h VAL 141 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3dd5 h VAL 141 Cb 1.39 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3dd5 h VAL 141 CO 0.14 0.00 -0.33 0.24 0.02 0.00 0.00 177.57 177.65 3dd5 h MET 142 N -0.73 -0.61 -0.68 1.57 2.86 -1.44 0.97 114.93 116.88 3dd5 h MET 142 Ca 0.00 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 3dd5 h MET 142 Cb 0.73 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 32.40 3dd5 h MET 142 CO -0.23 -0.41 -0.21 0.00 1.06 0.00 0.00 176.91 177.13 3dd5 h ALA 143 N -1.18 0.36 -0.08 6.32 0.00 -0.88 0.36 119.26 124.16 3dd5 h ALA 143 Ca -0.04 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3dd5 h ALA 143 Cb 0.56 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dd5 h ALA 143 CO -0.05 -0.47 0.02 0.78 0.00 0.00 0.00 179.25 179.53 3dd5 h GLY 144 N -0.03 0.13 0.57 0.00 0.00 -0.70 -3.00 103.07 100.04 3dd5 h GLY 144 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3dd5 h GLY 144 CO -0.71 0.08 -0.07 1.48 0.00 0.00 0.00 176.54 177.31 3dd5 h SER 145 N -0.07 -0.17 -0.87 0.19 4.64 0.43 -3.24 113.55 114.46 3dd5 h SER 145 Ca 0.03 -0.32 0.07 0.00 -0.47 0.00 0.00 61.79 61.09 3dd5 h SER 145 Cb 0.22 0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 3dd5 h SER 145 CO -0.00 0.26 0.54 0.40 -0.87 0.00 0.00 176.83 177.16 3dd5 h ILE 146 N -0.63 1.03 0.00 0.95 2.04 -1.12 -2.34 117.51 117.44 3dd5 h ILE 146 Ca -0.02 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3dd5 h ILE 146 Cb 0.48 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3dd5 h ILE 146 CO 0.03 0.18 0.19 0.77 0.00 0.00 0.00 178.15 179.32 3dd5 h SER 147 N 0.97 0.00 -0.01 1.72 4.64 -1.55 -1.93 113.55 117.40 3dd5 h SER 147 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3dd5 h SER 147 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3dd5 h SER 147 CO -0.18 0.00 -0.00 0.61 -0.87 0.00 0.00 176.83 176.39 3dd5 n GLY 148 N -1.24 -0.67 3.78 -0.77 0.00 -0.89 -4.80 105.19 100.61 3dd5 n GLY 148 Ca -0.02 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3dd5 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dd5 s LEU 149 N -0.67 3.92 0.36 0.99 1.43 -0.73 -4.99 118.68 119.00 3dd5 s LEU 149 Ca 0.09 2.16 -0.25 0.00 -1.03 0.00 0.00 54.13 55.10 3dd5 s LEU 149 Cb 0.07 -4.39 -0.13 0.00 0.03 0.00 0.00 46.19 41.77 3dd5 s LEU 149 CO 0.10 -0.92 0.87 -1.54 0.23 0.00 0.00 176.35 175.09 3dd5 n SER 150 N -0.76 0.64 -0.33 2.29 3.41 -1.26 -4.65 113.62 112.96 3dd5 n SER 150 Ca 0.09 1.06 0.27 0.00 -0.26 0.00 0.00 58.87 60.03 3dd5 n SER 150 Cb 0.50 -1.25 0.52 0.00 -0.26 0.00 0.00 64.21 63.72 3dd5 n SER 150 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dd5 h THR 151 N 1.49 0.14 -0.17 6.66 2.02 -1.98 0.17 112.91 121.23 3dd5 h THR 151 Ca -0.41 -0.05 -0.16 0.00 0.77 0.00 0.00 66.41 66.56 3dd5 h THR 151 Cb 1.36 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3dd5 h THR 151 CO 0.57 0.03 -0.52 0.00 0.37 0.00 0.00 175.52 175.97 3dd5 h THR 152 N 0.14 1.32 -0.09 3.16 1.03 -2.01 -2.79 112.91 113.68 3dd5 h THR 152 Ca 0.78 -1.76 -0.00 0.00 -0.01 0.00 0.00 66.41 65.42 3dd5 h THR 152 Cb 1.94 1.95 -0.00 0.00 -1.07 0.00 0.00 68.15 70.97 3dd5 h THR 152 CO -0.70 0.55 0.05 0.40 -0.01 0.00 0.00 175.52 175.81 3dd5 h ILE 153 N 0.34 1.06 -0.30 0.00 2.04 -1.50 -2.48 117.51 116.67 3dd5 h ILE 153 Ca -0.02 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.77 3dd5 h ILE 153 Cb 1.14 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3dd5 h ILE 153 CO 0.11 0.05 0.30 0.11 0.00 0.00 0.00 178.15 178.72 3dd5 h LYS 154 N 0.07 0.00 -0.16 2.37 1.57 -1.03 0.08 116.57 119.48 3dd5 h LYS 154 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3dd5 h LYS 154 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3dd5 h LYS 154 CO -0.01 0.00 -0.45 -0.91 -0.57 0.00 0.00 179.45 177.52 3dd5 h ASN 155 N 0.00 0.41 0.04 0.86 2.35 -1.16 -2.91 115.58 115.17 3dd5 h ASN 155 Ca 0.14 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3dd5 h ASN 155 Cb 0.74 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3dd5 h ASN 155 CO -0.00 0.80 -0.25 -0.61 -1.65 0.00 0.00 177.43 175.71 3dd5 h GLN 156 N 0.31 0.35 -6.56 0.81 4.15 -0.91 -3.40 115.11 109.86 3dd5 h GLN 156 Ca 0.02 -0.12 -0.56 0.00 0.77 0.00 0.00 58.65 58.76 3dd5 h GLN 156 Cb 0.91 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.51 3dd5 h GLN 156 CO 0.08 0.58 1.02 0.42 -1.93 0.00 0.00 178.83 179.00 3dd5 s ILE 157 N -4.47 3.97 -0.01 2.39 1.01 -1.10 -1.95 121.20 121.04 3dd5 s ILE 157 Ca -0.06 0.93 0.11 0.00 0.00 0.00 0.00 60.65 61.63 3dd5 s ILE 157 Cb 0.14 -4.50 -0.23 0.00 0.01 0.00 0.00 42.46 37.89 3dd5 s ILE 157 CO 0.77 -1.08 0.79 0.11 0.00 0.00 0.00 174.94 175.54 3dd5 h LYS 158 N 10.15 0.00 -2.73 2.79 1.79 -1.42 -3.48 116.57 123.66 3dd5 h LYS 158 Ca -0.26 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.08 3dd5 h LYS 158 Cb 1.08 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.46 3dd5 h LYS 158 CO 1.15 0.59 -0.33 0.20 -1.08 0.00 0.00 179.45 179.98 3dd5 s GLY 159 N -5.02 -0.29 -0.08 3.86 0.00 -1.22 -4.72 107.32 99.85 3dd5 s GLY 159 Ca -0.03 1.39 0.05 0.00 0.00 0.00 0.00 44.72 46.12 3dd5 s GLY 159 CO 0.82 1.55 -0.23 0.14 0.00 0.00 0.00 173.10 175.38 3dd5 s VAL 160 N 1.29 1.96 -0.19 1.40 1.01 -0.11 -1.10 120.40 124.67 3dd5 s VAL 160 Ca -0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 3dd5 s VAL 160 Cb -0.08 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3dd5 s VAL 160 CO -0.11 0.54 -0.15 0.68 0.00 0.00 0.00 175.10 176.06 3dd5 s VAL 161 N 0.17 2.49 -0.25 2.92 -7.23 0.11 -0.96 120.40 117.65 3dd5 s VAL 161 Ca -0.13 -0.80 -0.05 0.00 -1.81 0.00 0.00 61.98 59.19 3dd5 s VAL 161 Cb -0.16 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 3dd5 s VAL 161 CO 0.06 0.51 0.01 -0.76 -0.31 0.00 0.00 175.10 174.61 3dd5 s LEU 162 N 1.26 3.30 -0.22 1.32 1.43 -0.22 -1.78 118.68 123.76 3dd5 s LEU 162 Ca 0.03 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 3dd5 s LEU 162 Cb -0.14 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3dd5 s LEU 162 CO -0.08 -0.08 0.13 -0.36 0.23 0.00 0.00 176.35 176.19 3dd5 s PHE 163 N 1.50 3.29 -1.01 0.29 0.08 0.48 -0.71 117.98 121.90 3dd5 s PHE 163 Ca 0.05 0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.20 3dd5 s PHE 163 Cb -0.15 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 3dd5 s PHE 163 CO -0.00 0.07 0.87 0.41 -0.10 0.00 0.00 175.22 176.47 3dd5 n GLY 164 N 4.11 -0.79 3.60 4.36 0.00 -0.54 0.25 105.19 116.17 3dd5 n GLY 164 Ca -0.16 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3dd5 n GLY 164 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dd5 s TYR 165 N -3.35 1.41 0.06 1.61 5.04 -1.26 -3.20 117.35 117.66 3dd5 s TYR 165 Ca 0.29 0.65 -0.22 0.00 -2.44 0.00 0.00 57.07 55.35 3dd5 s TYR 165 Cb -0.04 -3.98 -0.12 0.00 0.35 0.00 0.00 41.96 38.16 3dd5 s TYR 165 CO 0.68 -3.51 1.54 1.79 -1.34 0.00 0.00 175.55 174.71 3dd5 h THR 166 N 7.05 1.21 -0.06 4.34 1.35 -1.73 -2.74 112.91 122.34 3dd5 h THR 166 Ca -0.37 -0.64 -0.02 0.00 -0.55 0.00 0.00 66.41 64.82 3dd5 h THR 166 Cb 1.21 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 3dd5 h THR 166 CO 1.01 0.19 0.03 0.29 -0.25 0.00 0.00 175.52 176.79 3dd5 n LYS 167 N -4.84 1.11 -0.08 4.72 4.76 -1.26 -4.43 118.16 118.14 3dd5 n LYS 167 Ca -0.05 -0.19 -0.12 0.00 -2.87 0.00 0.00 58.31 55.08 3dd5 n LYS 167 Cb 0.16 -1.18 -0.05 0.00 -1.84 0.00 0.00 35.03 32.13 3dd5 n LYS 167 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3dd5 h ASN 168 N 0.10 0.41 0.13 4.39 -0.73 -1.73 0.30 115.58 118.45 3dd5 h ASN 168 Ca 0.03 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 57.85 3dd5 h ASN 168 Cb 1.00 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.48 3dd5 h ASN 168 CO 0.06 0.66 -0.06 0.25 -0.37 0.00 0.00 177.43 177.96 3dd5 h LEU 169 N 0.16 -0.15 -0.88 0.34 5.85 -1.78 -1.38 115.31 117.46 3dd5 h LEU 169 Ca 0.06 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.88 3dd5 h LEU 169 Cb 0.47 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 3dd5 h LEU 169 CO 0.02 -0.09 -0.48 1.67 -0.34 0.00 0.00 178.44 179.22 3dd5 n GLN 170 N -2.57 -0.35 0.00 1.25 7.27 -1.23 -1.32 117.38 120.43 3dd5 n GLN 170 Ca -0.02 1.34 0.14 0.00 0.07 0.00 0.00 57.00 58.53 3dd5 n GLN 170 Cb 0.07 -1.98 0.60 0.00 2.41 0.00 0.00 30.24 31.34 3dd5 n GLN 170 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3dd5 n ASN 171 N -5.15 0.57 -0.72 1.69 3.02 0.11 -4.94 115.26 109.83 3dd5 n ASN 171 Ca 0.03 -0.69 -0.04 0.00 -0.03 0.00 0.00 54.58 53.86 3dd5 n ASN 171 Cb 0.26 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.39 3dd5 n ASN 171 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dd5 n LEU 172 N -0.85 -1.73 -0.65 3.41 4.32 -0.44 -3.36 117.00 117.71 3dd5 n LEU 172 Ca 0.15 -0.05 -0.08 0.00 -0.02 0.00 0.00 56.01 56.01 3dd5 n LEU 172 Cb 0.28 -0.91 -0.03 0.00 -1.62 0.00 0.00 43.42 41.14 3dd5 n LEU 172 CO 0.23 0.04 -0.08 0.61 -1.22 0.00 0.00 177.39 176.97 3dd5 n GLY 173 N -0.87 0.78 3.17 -0.72 0.00 -0.69 -5.02 105.19 101.84 3dd5 n GLY 173 Ca -0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 3dd5 n GLY 173 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dd5 s ARG 174 N -3.02 0.67 -0.08 1.61 1.70 -1.21 -4.86 118.95 113.74 3dd5 s ARG 174 Ca 0.00 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.32 3dd5 s ARG 174 Cb 0.00 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 3dd5 s ARG 174 CO 0.00 -0.19 1.24 0.42 -1.08 0.00 0.00 175.30 175.69 3dd5 s ILE 175 N -2.52 4.21 0.65 4.99 1.01 -1.26 -4.82 121.20 123.46 3dd5 s ILE 175 Ca -0.05 1.52 -0.18 0.00 0.00 0.00 0.00 60.65 61.94 3dd5 s ILE 175 Cb -0.01 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 3dd5 s ILE 175 CO -0.04 -0.04 1.28 -2.65 0.00 0.00 0.00 174.94 173.49 3dd5 n PRO 176 N 5.67 1.11 -1.53 2.79 -0.02 -1.26 -2.68 135.00 139.08 3dd5 n PRO 176 Ca 0.12 0.44 -0.18 0.00 -2.02 0.00 0.00 63.50 61.86 3dd5 n PRO 176 Cb 0.46 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 3dd5 n PRO 176 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dd5 n ASN 177 N -1.86 -5.46 -3.73 2.55 3.02 -1.26 -4.22 115.26 104.30 3dd5 n ASN 177 Ca 0.16 0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 54.97 3dd5 n ASN 177 Cb 0.48 -4.56 -0.17 0.00 -0.61 0.00 0.00 39.78 34.92 3dd5 n ASN 177 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dd5 s PHE 178 N -2.58 0.13 -0.45 3.10 5.36 -1.09 -4.90 117.98 117.55 3dd5 s PHE 178 Ca 0.00 0.15 -0.46 0.00 -0.96 0.00 0.00 56.93 55.66 3dd5 s PHE 178 Cb 0.00 -0.42 -0.20 0.00 -0.34 0.00 0.00 43.02 42.06 3dd5 s PHE 178 CO 0.00 -0.16 1.57 0.39 -1.46 0.00 0.00 175.22 175.56 3dd5 n GLU 179 N 4.80 0.08 0.27 10.12 1.02 -1.26 -4.60 120.64 131.07 3dd5 n GLU 179 Ca -0.14 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.15 3dd5 n GLU 179 Cb 0.50 -1.54 0.74 0.00 -0.02 0.00 0.00 31.44 31.12 3dd5 n GLU 179 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3dd5 h THR 180 N 4.87 0.66 0.00 2.62 1.35 -1.91 -0.81 112.91 119.69 3dd5 h THR 180 Ca -0.45 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3dd5 h THR 180 Cb 1.37 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3dd5 h THR 180 CO 0.96 0.09 0.00 -1.54 -0.25 0.00 0.00 175.52 174.78 3dd5 n SER 181 N -3.83 0.00 -0.03 5.36 3.41 -1.26 -2.77 113.62 114.50 3dd5 n SER 181 Ca -0.02 0.18 0.03 0.00 -0.26 0.00 0.00 58.87 58.80 3dd5 n SER 181 Cb 0.19 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 3dd5 n SER 181 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dd5 n LYS 182 N -1.35 0.90 -2.26 4.33 5.02 -0.34 -4.94 118.16 119.53 3dd5 n LYS 182 Ca 0.07 -0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 3dd5 n LYS 182 Cb 0.15 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3dd5 n LYS 182 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dd5 s THR 183 N -2.77 3.12 -0.07 -0.18 2.01 -1.05 -0.93 115.64 115.76 3dd5 s THR 183 Ca -0.06 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.97 3dd5 s THR 183 Cb 0.07 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.95 3dd5 s THR 183 CO 0.58 0.22 0.00 -0.70 -0.69 0.00 0.00 174.62 174.02 3dd5 s GLU 184 N -1.11 0.63 -0.36 4.92 2.56 -0.13 -4.93 118.70 120.29 3dd5 s GLU 184 Ca 0.50 0.09 -0.10 0.00 0.00 0.00 0.00 54.97 55.47 3dd5 s GLU 184 Cb -0.36 -1.00 0.02 0.00 2.00 0.00 0.00 34.13 34.79 3dd5 s GLU 184 CO 0.44 -0.31 0.18 0.08 -0.56 0.00 0.00 175.26 175.09 3dd5 s VAL 185 N 1.96 4.42 -0.33 3.70 1.01 -1.26 -1.06 120.40 128.84 3dd5 s VAL 185 Ca 0.05 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 3dd5 s VAL 185 Cb -0.12 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 3dd5 s VAL 185 CO -0.05 -0.17 0.70 -0.31 0.00 0.00 0.00 175.10 175.27 3dd5 s TYR 186 N 1.53 3.18 -0.04 5.22 1.51 0.12 -4.99 117.35 123.88 3dd5 s TYR 186 Ca 0.02 0.59 0.02 0.00 -1.01 0.00 0.00 57.07 56.69 3dd5 s TYR 186 Cb -0.19 -3.17 0.01 0.00 -0.11 0.00 0.00 41.96 38.51 3dd5 s TYR 186 CO 0.06 -0.58 -0.08 0.00 -1.11 0.00 0.00 175.55 173.83 3dd5 s ASP 188 N 0.54 5.78 0.49 0.00 -1.08 -1.26 -5.01 116.67 116.13 3dd5 s ASP 188 Ca -0.09 0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.33 3dd5 s ASP 188 Cb -0.12 -1.65 0.83 0.00 -1.46 0.00 0.00 42.92 40.52 3dd5 s ASP 188 CO 0.01 0.21 1.79 0.16 0.52 0.00 0.00 175.17 177.86 3dd5 h ILE 189 N 2.68 0.00 -0.01 4.11 -2.65 -2.02 -2.51 117.51 117.12 3dd5 h ILE 189 Ca -0.47 -0.77 0.00 0.00 1.03 0.00 0.00 64.86 64.65 3dd5 h ILE 189 Cb 1.17 1.77 0.00 0.00 -2.05 0.00 0.00 36.82 37.71 3dd5 h ILE 189 CO 0.67 0.00 -0.21 0.00 0.03 0.00 0.00 178.15 178.64 3dd5 n ALA 190 N -2.10 2.98 -2.64 0.16 0.00 -1.26 -4.79 120.51 112.87 3dd5 n ALA 190 Ca 0.02 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 3dd5 n ALA 190 Cb 0.42 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 3dd5 n ALA 190 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dd5 s ASP 191 N -2.49 6.26 0.20 0.00 3.68 -0.95 -4.73 116.67 118.65 3dd5 s ASP 191 Ca 0.26 -0.65 0.19 0.00 2.13 0.00 0.00 52.55 54.48 3dd5 s ASP 191 Cb 0.19 -2.30 0.86 0.00 -1.45 0.00 0.00 42.92 40.22 3dd5 s ASP 191 CO 0.51 -0.84 1.57 0.00 0.13 0.00 0.00 175.17 176.54 3dd5 n ALA 192 N 6.23 1.41 0.18 3.66 0.00 -1.26 -2.55 120.51 128.18 3dd5 n ALA 192 Ca -0.04 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.58 3dd5 n ALA 192 Cb 0.47 -1.30 0.11 0.00 0.00 0.00 0.00 19.45 18.73 3dd5 n ALA 192 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3dd5 h VAL 193 N 0.00 0.20 0.00 0.00 -1.51 -1.85 -2.08 116.25 111.01 3dd5 h VAL 193 Ca 0.00 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 3dd5 h VAL 193 Cb 0.20 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 3dd5 h VAL 193 CO 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 176.45 3dd5 n TYR 195 N -0.81 0.00 -3.94 0.00 4.02 -1.12 -4.01 117.16 111.30 3dd5 n TYR 195 Ca 0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.64 3dd5 n TYR 195 Cb 0.04 -0.16 -0.14 0.00 -0.02 0.00 0.00 39.34 39.06 3dd5 n TYR 195 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3dd5 s GLY 196 N -2.79 1.82 0.35 2.72 0.00 -1.26 -4.88 107.32 103.27 3dd5 s GLY 196 Ca -0.02 -2.07 0.08 0.00 0.00 0.00 0.00 44.72 42.71 3dd5 s GLY 196 CO 0.35 0.79 0.20 -0.51 0.00 0.00 0.00 173.10 173.93 3dd5 s THR 197 N 1.13 3.06 0.00 0.90 -4.23 -0.80 -5.01 115.64 110.69 3dd5 s THR 197 Ca -0.00 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3dd5 s THR 197 Cb -0.20 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.60 3dd5 s THR 197 CO -0.04 -0.15 0.73 0.18 -0.54 0.00 0.00 174.62 174.80 3dd5 n LEU 198 N -1.25 1.14 -0.11 4.79 4.77 -1.26 -3.88 117.00 121.20 3dd5 n LEU 198 Ca -0.02 -1.14 -0.20 0.00 -0.03 0.00 0.00 56.01 54.62 3dd5 n LEU 198 Cb 0.61 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 3dd5 n LEU 198 CO 0.43 0.28 -0.78 0.49 -1.33 0.00 0.00 177.39 176.48 3dd5 n PHE 199 N -0.26 0.60 -2.96 -1.77 3.01 -1.26 -4.78 117.46 110.04 3dd5 n PHE 199 Ca 0.00 0.26 -0.44 0.00 1.01 0.00 0.00 57.45 58.28 3dd5 n PHE 199 Cb 0.30 -0.95 -0.04 0.00 -0.01 0.00 0.00 39.48 38.78 3dd5 n PHE 199 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 3dd5 s ILE 200 N -2.44 4.60 0.56 4.37 -5.25 -1.26 -5.03 121.20 116.75 3dd5 s ILE 200 Ca -0.29 -0.89 -0.10 0.00 -0.99 0.00 0.00 60.65 58.37 3dd5 s ILE 200 Cb 0.08 -4.64 -0.05 0.00 2.95 0.00 0.00 42.46 40.80 3dd5 s ILE 200 CO 0.48 -1.36 0.95 -0.76 -1.79 0.00 0.00 174.94 172.46 3dd5 s LEU 201 N 3.23 3.41 1.19 0.37 1.02 -1.26 -4.19 118.68 122.44 3dd5 s LEU 201 Ca 0.21 1.31 -0.18 0.00 0.02 0.00 0.00 54.13 55.49 3dd5 s LEU 201 Cb -0.16 -4.31 0.28 0.00 0.02 0.00 0.00 46.19 42.02 3dd5 s LEU 201 CO 0.04 -0.74 1.10 -2.16 0.02 0.00 0.00 176.35 174.62 3dd5 s PRO 202 N -4.85 -1.09 0.25 1.29 0.04 -1.26 -4.91 135.00 124.48 3dd5 s PRO 202 Ca 0.53 0.00 0.11 0.00 0.04 0.00 0.00 61.00 61.68 3dd5 s PRO 202 Cb -0.11 -1.61 0.27 0.00 0.04 0.00 0.00 34.50 33.10 3dd5 s PRO 202 CO 0.48 -3.64 1.56 0.00 0.04 0.00 0.00 177.00 175.43 3dd5 h ALA 203 N -2.53 0.85 -1.74 8.56 0.00 -1.97 -3.47 119.26 118.97 3dd5 h ALA 203 Ca -0.46 -0.60 0.29 0.00 0.00 0.00 0.00 54.91 54.14 3dd5 h ALA 203 Cb 1.30 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 3dd5 h ALA 203 CO 0.37 0.83 0.75 -3.38 0.00 0.00 0.00 179.25 177.82 3dd5 s HIS 204 N -3.42 -0.05 0.11 0.00 -3.43 -1.26 -5.14 115.29 102.10 3dd5 s HIS 204 Ca -0.01 -0.11 -0.30 0.00 -0.80 0.00 0.00 55.06 53.84 3dd5 s HIS 204 Cb 0.12 0.57 -0.06 0.00 -1.43 0.00 0.00 32.58 31.78 3dd5 s HIS 204 CO 0.76 -0.42 1.12 0.12 -2.00 0.00 0.00 174.74 174.33 3dd5 s PHE 205 N -2.55 3.54 -0.32 0.38 5.36 -1.26 -4.96 117.98 118.16 3dd5 s PHE 205 Ca 0.15 1.49 0.15 0.00 -0.96 0.00 0.00 56.93 57.77 3dd5 s PHE 205 Cb 0.03 -3.31 -0.20 0.00 -0.34 0.00 0.00 43.02 39.19 3dd5 s PHE 205 CO -0.02 -0.79 0.47 1.28 -1.46 0.00 0.00 175.22 174.69 3dd5 n LEU 206 N 3.19 0.31 -1.62 6.12 4.77 -1.26 -4.63 117.00 123.88 3dd5 n LEU 206 Ca 0.06 -0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 3dd5 n LEU 206 Cb 0.47 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.75 3dd5 n LEU 206 CO 0.54 0.08 0.95 -1.22 -1.33 0.00 0.00 177.39 176.41 3dd5 n TYR 207 N -1.73 1.94 0.17 -1.77 4.01 -1.26 -4.72 117.16 113.80 3dd5 n TYR 207 Ca -0.00 -1.70 -0.14 0.00 -0.16 0.00 0.00 57.90 55.89 3dd5 n TYR 207 Cb 0.33 -0.69 -0.08 0.00 -0.31 0.00 0.00 39.34 38.59 3dd5 n TYR 207 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dd5 h GLN 208 N 1.03 -0.36 -0.57 -0.72 5.75 -1.99 0.32 115.11 118.58 3dd5 h GLN 208 Ca 0.40 0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.84 3dd5 h GLN 208 Cb 2.18 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 30.79 3dd5 h GLN 208 CO 0.69 -0.19 0.05 1.79 -2.65 0.00 0.00 178.83 178.53 3dd5 h THR 209 N -0.44 1.26 -0.62 2.39 1.35 -1.98 0.76 112.91 115.63 3dd5 h THR 209 Ca -0.04 -1.04 0.02 0.00 -0.55 0.00 0.00 66.41 64.80 3dd5 h THR 209 Cb 0.33 0.82 -0.04 0.00 -1.73 0.00 0.00 68.15 67.54 3dd5 h THR 209 CO 0.06 0.38 0.39 0.44 -0.25 0.00 0.00 175.52 176.54 3dd5 h ASP 210 N 0.86 0.66 -0.09 5.36 3.32 -1.81 0.27 116.42 124.98 3dd5 h ASP 210 Ca 0.17 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 3dd5 h ASP 210 Cb 0.47 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dd5 h ASP 210 CO 0.02 0.46 -0.39 0.00 -1.72 0.00 0.00 179.24 177.62 3dd5 h ALA 211 N 1.25 0.17 -0.16 3.45 0.00 -0.28 0.18 119.26 123.88 3dd5 h ALA 211 Ca 0.24 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3dd5 h ALA 211 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dd5 h ALA 211 CO -0.08 0.27 -0.44 0.00 0.00 0.00 0.00 179.25 179.00 3dd5 h ALA 212 N 0.46 0.95 0.00 0.00 0.00 -0.53 -3.39 119.26 116.76 3dd5 h ALA 212 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dd5 h ALA 212 Cb 1.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3dd5 h ALA 212 CO 0.08 0.63 0.00 0.28 0.00 0.00 0.00 179.25 180.24 3dd5 n VAL 213 N -4.01 0.00 -0.14 0.00 0.31 0.93 -4.81 118.33 110.61 3dd5 n VAL 213 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 3dd5 n VAL 213 Cb 0.52 -0.95 -0.01 0.00 -0.91 0.00 0.00 33.84 32.49 3dd5 n VAL 213 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dd5 h ALA 214 N 0.00 0.54 0.05 3.52 0.00 -1.51 -2.41 119.26 119.45 3dd5 h ALA 214 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3dd5 h ALA 214 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3dd5 h ALA 214 CO 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 179.25 179.22 3dd5 h ALA 215 N 0.98 -0.32 -0.78 0.00 0.00 -0.86 -0.18 119.26 118.10 3dd5 h ALA 215 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dd5 h ALA 215 Cb 0.26 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3dd5 h ALA 215 CO -0.00 -0.73 0.49 -1.35 0.00 0.00 0.00 179.25 177.66 3dd5 h PRO 216 N -0.37 1.03 -0.52 0.00 0.11 -1.74 0.28 132.00 130.80 3dd5 h PRO 216 Ca 0.04 -0.07 0.09 0.00 0.11 0.00 0.00 66.00 66.17 3dd5 h PRO 216 Cb 0.42 -0.23 -0.07 0.00 0.11 0.00 0.00 31.00 31.23 3dd5 h PRO 216 CO -0.16 0.70 0.10 0.00 -0.21 0.00 0.00 178.00 178.44 3dd5 h ARG 217 N 1.06 0.23 0.36 1.05 3.08 -0.99 0.44 114.38 119.61 3dd5 h ARG 217 Ca 0.28 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 3dd5 h ARG 217 Cb -0.09 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3dd5 h ARG 217 CO -0.06 0.15 -0.17 0.35 -1.07 0.00 0.00 179.97 179.17 3dd5 h PHE 218 N 0.24 -0.45 0.03 3.04 3.57 -0.40 -3.10 116.94 119.86 3dd5 h PHE 218 Ca 0.26 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.78 3dd5 h PHE 218 Cb 0.36 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3dd5 h PHE 218 CO -0.23 -0.12 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.42 3dd5 h LEU 219 N -0.82 -0.68 -0.91 0.59 3.38 -0.27 -2.93 115.31 113.68 3dd5 h LEU 219 Ca -0.05 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.26 3dd5 h LEU 219 Cb 0.53 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.41 3dd5 h LEU 219 CO 0.08 -0.30 0.34 -0.61 0.09 0.00 0.00 178.44 178.04 3dd5 h GLN 220 N -0.38 0.26 0.01 1.13 4.15 -0.20 0.26 115.11 120.34 3dd5 h GLN 220 Ca 0.05 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.46 3dd5 h GLN 220 Cb 0.45 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3dd5 h GLN 220 CO -0.19 0.17 -0.04 0.00 -1.93 0.00 0.00 178.83 176.84 3dd5 h ALA 221 N 1.78 -0.05 0.00 3.38 0.00 -1.43 -2.72 119.26 120.22 3dd5 h ALA 221 Ca 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 3dd5 h ALA 221 Cb 1.23 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3dd5 h ALA 221 CO -0.62 -0.54 -0.13 0.00 0.00 0.00 0.00 179.25 177.96 3dd5 h ARG 222 N -0.08 0.00 0.01 0.00 2.47 -0.40 -2.45 114.38 113.94 3dd5 h ARG 222 Ca 0.02 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.53 3dd5 h ARG 222 Cb 0.10 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 3dd5 h ARG 222 CO -0.04 0.13 -0.93 0.82 0.56 0.00 0.00 179.97 180.51 3dd5 h ILE 223 N 0.00 1.48 0.00 2.04 2.04 -1.07 -3.46 117.51 118.55 3dd5 h ILE 223 Ca -0.00 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.21 3dd5 h ILE 223 Cb 0.42 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 3dd5 h ILE 223 CO 0.02 0.78 0.00 0.61 0.00 0.00 0.00 178.15 179.55