#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0u h ALA 28 N 0.00 -0.02 -0.33 -1.46 0.00 -2.06 -2.38 119.26 113.01 3i0u h ALA 28 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.11 3i0u h ALA 28 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i0u h ALA 28 CO 0.00 0.34 -0.46 -0.97 0.00 0.00 0.00 179.25 178.16 3i0u h ASN 29 N -0.30 0.94 -1.01 0.00 -0.73 -2.05 -1.99 115.58 110.44 3i0u h ASN 29 Ca -0.10 -0.46 0.24 0.00 1.87 0.00 0.00 56.30 57.84 3i0u h ASN 29 Cb 1.46 -0.27 -0.11 0.00 0.27 0.00 0.00 38.32 39.67 3i0u h ASN 29 CO 0.13 1.25 0.62 -0.33 -0.37 0.00 0.00 177.43 178.73 3i0u h GLU 30 N 0.69 0.53 0.81 6.67 4.39 -1.99 0.79 114.58 126.48 3i0u h GLU 30 Ca 0.04 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3i0u h GLU 30 Cb 1.05 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3i0u h GLU 30 CO 0.10 0.35 -0.49 -0.09 -1.16 0.00 0.00 179.01 177.73 3i0u h ARG 31 N 0.55 -1.17 -0.63 2.33 9.65 -0.82 -2.37 114.38 121.93 3i0u h ARG 31 Ca 0.62 0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.57 3i0u h ARG 31 Cb 1.26 0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 30.08 3i0u h ARG 31 CO -0.40 -0.78 0.36 -0.07 2.80 0.00 0.00 179.97 181.88 3i0u h LEU 32 N -1.21 0.77 -0.01 3.80 4.07 -1.03 -1.72 115.31 119.97 3i0u h LEU 32 Ca -0.11 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 3i0u h LEU 32 Cb 0.97 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.51 3i0u h LEU 32 CO 0.12 0.62 0.00 0.11 -1.08 0.00 0.00 178.44 178.21 3i0u h LYS 33 N 0.85 0.01 -0.84 1.13 1.57 -0.93 0.08 116.57 118.44 3i0u h LYS 33 Ca 0.22 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3i0u h LYS 33 Cb 0.01 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3i0u h LYS 33 CO -0.04 0.07 0.55 -0.97 -0.57 0.00 0.00 179.45 178.49 3i0u h ASN 34 N -0.05 0.96 0.32 0.86 -1.24 -1.25 -1.17 115.58 114.02 3i0u h ASN 34 Ca 0.00 -0.02 -0.11 0.00 0.71 0.00 0.00 56.30 56.88 3i0u h ASN 34 Cb 0.06 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 3i0u h ASN 34 CO -0.00 0.69 -0.45 0.78 -1.29 0.00 0.00 177.43 177.17 3i0u h ASN 35 N 1.13 0.17 -0.45 1.15 2.35 -1.01 0.29 115.58 119.20 3i0u h ASN 35 Ca 0.31 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3i0u h ASN 35 Cb -0.13 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3i0u h ASN 35 CO -0.07 0.59 0.03 0.15 -1.65 0.00 0.00 177.43 176.49 3i0u h PHE 36 N 0.13 0.85 -0.05 1.19 3.57 -0.79 -2.60 116.94 119.23 3i0u h PHE 36 Ca 0.01 -0.14 -0.15 0.00 3.53 0.00 0.00 57.97 61.22 3i0u h PHE 36 Cb 0.84 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3i0u h PHE 36 CO 0.01 0.81 -0.64 -0.91 -2.23 0.00 0.00 178.31 175.36 3i0u h ASN 37 N 0.64 0.24 0.13 0.41 2.35 -0.78 0.47 115.58 119.04 3i0u h ASN 37 Ca 0.13 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3i0u h ASN 37 Cb 0.46 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 3i0u h ASN 37 CO 0.02 0.82 -0.31 0.40 -1.65 0.00 0.00 177.43 176.70 3i0u h ILE 38 N 0.15 0.33 -0.40 2.81 2.04 -0.95 -1.50 117.51 120.00 3i0u h ILE 38 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3i0u h ILE 38 Cb 1.15 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3i0u h ILE 38 CO 0.10 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.41 3i0u h LEU 39 N -0.54 0.48 0.02 1.44 3.38 -1.22 -2.78 115.31 116.09 3i0u h LEU 39 Ca 0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i0u h LEU 39 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i0u h LEU 39 CO -0.18 0.40 -0.01 0.22 0.09 0.00 0.00 178.44 178.96 3i0u h TYR 40 N 0.52 -0.03 0.00 1.13 3.20 -0.74 -2.52 116.97 118.54 3i0u h TYR 40 Ca 0.14 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3i0u h TYR 40 Cb 0.01 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3i0u h TYR 40 CO -0.03 0.05 -0.33 -0.91 -1.64 0.00 0.00 178.16 175.30 3i0u h ASN 41 N -0.10 0.00 -0.30 -2.11 2.35 -1.30 -3.07 115.58 111.05 3i0u h ASN 41 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 3i0u h ASN 41 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3i0u h ASN 41 CO 0.01 0.33 -0.28 1.56 -1.65 0.00 0.00 177.43 177.39 3i0u h GLN 42 N 0.00 0.72 -0.99 0.81 4.20 -1.31 -2.74 115.11 115.81 3i0u h GLN 42 Ca -0.00 -0.37 0.14 0.00 0.06 0.00 0.00 58.65 58.47 3i0u h GLN 42 Cb 0.59 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.29 3i0u h GLN 42 CO 0.04 0.99 0.61 0.82 -0.67 0.00 0.00 178.83 180.63 3i0u h ILE 43 N 0.48 0.87 0.00 2.54 2.04 -1.38 -1.48 117.51 120.57 3i0u h ILE 43 Ca 0.05 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3i0u h ILE 43 Cb 0.85 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3i0u h ILE 43 CO 0.07 0.17 0.00 0.54 0.00 0.00 0.00 178.15 178.93 3i0u n ARG 44 N -4.67 0.21 0.16 2.37 1.74 -1.15 -3.12 116.66 112.21 3i0u n ARG 44 Ca 0.20 0.18 0.03 0.00 -0.77 0.00 0.00 57.85 57.49 3i0u n ARG 44 Cb 0.40 -1.75 0.21 0.00 -1.02 0.00 0.00 32.46 30.30 3i0u n ARG 44 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3i0u h GLN 45 N 0.00 0.00 -6.81 5.56 4.20 -0.96 -3.46 115.11 113.64 3i0u h GLN 45 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 3i0u h GLN 45 Cb 0.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3i0u h GLN 45 CO 0.00 0.47 0.37 0.71 -0.67 0.00 0.00 178.83 179.71 3i0u s TYR 46 N -3.37 3.80 0.86 2.96 2.02 -1.18 -5.04 117.35 117.39 3i0u s TYR 46 Ca 0.01 1.83 -0.11 0.00 -0.37 0.00 0.00 57.07 58.43 3i0u s TYR 46 Cb 0.10 -3.02 0.11 0.00 -0.40 0.00 0.00 41.96 38.75 3i0u s TYR 46 CO 0.72 0.18 1.09 -1.25 -1.57 0.00 0.00 175.55 174.72 3i0u s PRO 47 N -1.54 1.58 0.16 -1.71 0.04 -1.26 -4.96 135.00 127.31 3i0u s PRO 47 Ca 0.45 0.82 -0.34 0.00 0.04 0.00 0.00 61.00 61.97 3i0u s PRO 47 Cb -0.24 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 3i0u s PRO 47 CO 0.31 -2.01 1.40 0.00 0.04 0.00 0.00 177.00 176.73 3i0u n ALA 48 N -3.73 0.30 -2.83 8.56 0.00 -1.26 -4.98 120.51 116.57 3i0u n ALA 48 Ca 0.07 0.46 -0.37 0.00 0.00 0.00 0.00 53.44 53.61 3i0u n ALA 48 Cb 0.55 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 3i0u n ALA 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i0u s TYR 49 N 0.36 3.61 -0.08 0.00 5.04 -1.26 -5.10 117.35 119.92 3i0u s TYR 49 Ca 0.77 0.57 0.04 0.00 -2.44 0.00 0.00 57.07 56.01 3i0u s TYR 49 Cb -0.78 -1.97 -0.00 0.00 0.35 0.00 0.00 41.96 39.56 3i0u s TYR 49 CO 0.46 0.71 -0.22 0.71 -1.34 0.00 0.00 175.55 175.87 3i0u s TYR 50 N -1.08 2.33 -0.21 4.97 2.02 -1.26 -4.96 117.35 119.16 3i0u s TYR 50 Ca 0.18 -0.87 -0.10 0.00 -0.37 0.00 0.00 57.07 55.90 3i0u s TYR 50 Cb -0.13 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 3i0u s TYR 50 CO 0.07 -0.34 0.15 -0.06 -1.57 0.00 0.00 175.55 173.81 3i0u s PHE 51 N 0.24 3.37 -0.16 2.71 0.08 -1.26 -5.04 117.98 117.93 3i0u s PHE 51 Ca -0.14 0.30 -0.29 0.00 0.12 0.00 0.00 56.93 56.92 3i0u s PHE 51 Cb -0.16 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 3i0u s PHE 51 CO 0.07 0.19 1.46 0.21 -0.10 0.00 0.00 175.22 177.05 3i0u s LYS 52 N 0.66 4.08 0.00 0.44 2.20 -1.26 -4.95 119.74 120.91 3i0u s LYS 52 Ca 0.08 1.77 -0.30 0.00 -0.36 0.00 0.00 55.97 57.16 3i0u s LYS 52 Cb -0.12 -3.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 3i0u s LYS 52 CO 0.01 -0.93 1.01 0.08 -0.36 0.00 0.00 175.35 175.16 3i0u s VAL 53 N 4.16 4.74 0.20 4.02 1.01 -1.26 -4.26 120.40 129.01 3i0u s VAL 53 Ca 0.64 1.97 -0.31 0.00 0.00 0.00 0.00 61.98 64.29 3i0u s VAL 53 Cb -0.25 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 3i0u s VAL 53 CO 0.23 0.15 1.51 0.00 0.00 0.00 0.00 175.10 176.99 3i0u s ALA 54 N 1.07 3.71 -0.17 5.51 0.00 -0.21 -4.98 121.76 126.70 3i0u s ALA 54 Ca 0.53 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.85 3i0u s ALA 54 Cb -0.22 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.19 3i0u s ALA 54 CO 0.28 -0.77 -0.15 -1.13 0.00 0.00 0.00 175.76 173.99 3i0u n SER 55 N 3.28 2.67 -4.57 0.00 3.41 -1.26 -4.37 113.62 112.78 3i0u n SER 55 Ca 0.11 -0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.25 3i0u n SER 55 Cb 0.39 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3i0u n SER 55 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3i0u s ASN 56 N -5.66 6.21 -0.00 4.04 0.01 -1.26 -4.94 114.94 113.34 3i0u s ASN 56 Ca -0.23 -1.75 0.08 0.00 -0.71 0.00 0.00 52.86 50.24 3i0u s ASN 56 Cb 0.06 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 3i0u s ASN 56 CO 0.39 -1.80 -0.24 0.68 -1.51 0.00 0.00 177.10 174.62 3i0u s VAL 57 N 6.36 1.87 0.61 1.60 -7.23 -1.26 -4.72 120.40 117.63 3i0u s VAL 57 Ca 0.56 -1.08 -0.17 0.00 -1.81 0.00 0.00 61.98 59.48 3i0u s VAL 57 Cb 0.00 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 3i0u s VAL 57 CO 0.02 0.47 1.12 -2.16 -0.31 0.00 0.00 175.10 174.24 3i0u s PRO 58 N -0.71 3.05 0.80 4.82 0.04 -1.26 -5.05 135.00 136.69 3i0u s PRO 58 Ca 0.09 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 3i0u s PRO 58 Cb -0.09 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.55 3i0u s PRO 58 CO -0.00 -1.07 1.16 0.95 0.04 0.00 0.00 177.00 178.08 3i0u s THR 59 N -2.06 2.03 0.24 1.26 -4.23 -1.26 -4.91 115.64 106.71 3i0u s THR 59 Ca 0.70 -0.04 -0.06 0.00 -1.18 0.00 0.00 61.69 61.11 3i0u s THR 59 Cb -0.22 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 70.82 3i0u s THR 59 CO 0.35 0.00 1.85 0.22 -0.54 0.00 0.00 174.62 176.49 3i0u h TYR 60 N -1.01 0.94 0.00 3.99 3.20 -1.95 -2.21 116.97 119.93 3i0u h TYR 60 Ca -0.46 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.35 3i0u h TYR 60 Cb 1.33 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3i0u h TYR 60 CO 0.30 0.48 -0.42 0.66 -1.64 0.00 0.00 178.16 177.54 3i0u h SER 61 N 0.93 0.00 -0.49 -2.11 4.64 -1.96 -2.63 113.55 111.93 3i0u h SER 61 Ca 0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 3i0u h SER 61 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3i0u h SER 61 CO -0.17 0.42 0.26 0.44 -0.87 0.00 0.00 176.83 176.90 3i0u h ASP 62 N 0.00 0.63 1.11 4.97 3.32 -1.78 -2.72 116.42 121.95 3i0u h ASP 62 Ca -0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3i0u h ASP 62 Cb 0.77 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3i0u h ASP 62 CO 0.05 0.55 -0.14 0.16 -1.72 0.00 0.00 179.24 178.15 3i0u h ILE 63 N 0.65 0.32 0.00 0.35 3.07 -1.38 -2.81 117.51 117.72 3i0u h ILE 63 Ca 0.17 -0.97 0.00 0.00 1.55 0.00 0.00 64.86 65.61 3i0u h ILE 63 Cb 0.08 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 3i0u h ILE 63 CO -0.03 0.14 0.00 0.00 -1.05 0.00 0.00 178.15 177.21 3i0u n GLN 65 N -2.98 4.66 0.00 0.00 6.02 -1.06 -4.96 117.38 119.05 3i0u n GLN 65 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3i0u n GLN 65 Cb 0.22 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 30.69 3i0u n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i0u n VAL 69 N -1.19 0.00 -3.36 5.09 0.31 -1.02 -4.94 118.33 113.22 3i0u n VAL 69 Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.96 3i0u n VAL 69 Cb 0.08 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.95 3i0u n VAL 69 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3i0u s MET 70 N -5.05 4.24 -0.05 5.55 -1.94 -1.26 0.10 119.30 120.89 3i0u s MET 70 Ca 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.43 3i0u s MET 70 Cb 0.00 -3.38 0.02 0.00 2.01 0.00 0.00 34.83 33.49 3i0u s MET 70 CO 0.00 0.31 -0.04 0.71 -0.01 0.00 0.00 175.02 175.99 3i0u s TYR 71 N 0.14 0.77 -1.56 -0.03 2.02 -0.13 -4.93 117.35 113.62 3i0u s TYR 71 Ca 0.25 -0.23 -0.13 0.00 -0.37 0.00 0.00 57.07 56.59 3i0u s TYR 71 Cb -0.16 -0.73 0.10 0.00 -0.40 0.00 0.00 41.96 40.77 3i0u s TYR 71 CO 0.11 -0.24 0.86 1.04 -1.57 0.00 0.00 175.55 175.75 3i0u n GLN 72 N 4.34 -4.56 0.00 -0.62 1.13 -1.26 -1.12 117.38 115.29 3i0u n GLN 72 Ca -0.20 0.51 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 3i0u n GLN 72 Cb 0.51 -5.27 0.00 0.00 0.11 0.00 0.00 30.24 25.59 3i0u n GLN 72 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i0u n GLY 73 N -1.61 2.58 3.69 1.08 0.00 -1.26 -4.89 105.19 104.77 3i0u n GLY 73 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3i0u n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i0u s PHE 74 N -2.35 3.39 -0.04 1.61 0.08 -0.27 -2.53 117.98 117.86 3i0u s PHE 74 Ca 0.00 0.49 -0.25 0.00 0.12 0.00 0.00 56.93 57.30 3i0u s PHE 74 Cb 0.00 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 3i0u s PHE 74 CO 0.00 0.11 0.75 -1.14 -0.10 0.00 0.00 175.22 174.85 3i0u s GLN 75 N 0.89 4.46 -0.19 0.44 0.74 0.13 -0.96 119.66 125.17 3i0u s GLN 75 Ca 0.15 0.99 -0.04 0.00 0.05 0.00 0.00 55.36 56.50 3i0u s GLN 75 Cb -0.14 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 3i0u s GLN 75 CO 0.05 0.07 -0.04 0.42 -0.55 0.00 0.00 175.29 175.25 3i0u s ILE 76 N 0.72 3.65 -0.03 -2.34 -1.09 0.11 -1.47 121.20 120.77 3i0u s ILE 76 Ca 0.40 -0.42 0.05 0.00 -2.23 0.00 0.00 60.65 58.45 3i0u s ILE 76 Cb -0.19 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3i0u s ILE 76 CO 0.20 0.45 -0.17 0.68 -1.23 0.00 0.00 174.94 174.87 3i0u s VAL 77 N 0.97 1.35 -0.53 2.92 -7.23 -0.15 -2.43 120.40 115.29 3i0u s VAL 77 Ca 0.00 -0.70 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 3i0u s VAL 77 Cb -0.15 -1.14 0.16 0.00 0.56 0.00 0.00 36.38 35.81 3i0u s VAL 77 CO 0.01 0.39 0.36 0.21 -0.31 0.00 0.00 175.10 175.76 3i0u s ASN 78 N -0.16 3.39 0.16 4.85 2.47 -1.26 -0.24 114.94 124.15 3i0u s ASN 78 Ca 0.01 -3.22 -0.25 0.00 0.42 0.00 0.00 52.86 49.83 3i0u s ASN 78 Cb -0.09 -1.07 -0.08 0.00 -1.45 0.00 0.00 41.25 38.56 3i0u s ASN 78 CO 0.01 -0.17 0.76 -1.38 -3.72 0.00 0.00 177.10 172.60 3i0u s HIS 79 N -0.41 3.89 -0.81 0.43 0.00 -1.26 -4.95 115.29 112.18 3i0u s HIS 79 Ca 0.25 1.61 0.06 0.00 -3.00 0.00 0.00 55.06 53.98 3i0u s HIS 79 Cb -0.08 -2.75 0.32 0.00 -4.00 0.00 0.00 32.58 26.07 3i0u s HIS 79 CO -0.12 0.51 1.19 -1.13 -1.00 0.00 0.00 174.74 174.19 3i0u n SER 80 N 1.56 0.14 0.30 7.38 3.41 -1.26 -2.92 113.62 122.23 3i0u n SER 80 Ca -0.06 0.56 0.18 0.00 -0.26 0.00 0.00 58.87 59.29 3i0u n SER 80 Cb 0.49 -0.58 1.01 0.00 -0.26 0.00 0.00 64.21 64.87 3i0u n SER 80 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3i0u h GLY 81 N 0.20 0.00 -2.24 5.00 0.00 -1.97 -3.43 103.07 100.63 3i0u h GLY 81 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3i0u h GLY 81 CO 0.00 0.00 -0.08 0.51 0.00 0.00 0.00 176.54 176.97 3i0u s ASP 82 N -5.72 -0.12 0.00 0.19 -4.77 -1.15 -5.04 116.67 100.07 3i0u s ASP 82 Ca -0.05 -0.87 0.10 0.00 -3.30 0.00 0.00 52.55 48.43 3i0u s ASP 82 Cb 0.14 0.60 0.59 0.00 -1.09 0.00 0.00 42.92 43.17 3i0u s ASP 82 CO 0.49 -1.16 1.18 0.55 0.70 0.00 0.00 175.17 176.94 3i0u n VAL 83 N -0.39 0.00 -4.12 2.11 3.14 -1.26 -4.78 118.33 113.03 3i0u n VAL 83 Ca -0.02 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.12 3i0u n VAL 83 Cb 0.62 -0.33 -0.05 0.00 -1.06 0.00 0.00 33.84 33.01 3i0u n VAL 83 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3i0u s PHE 84 N -2.00 3.07 -0.25 1.45 0.08 -1.26 -0.48 117.98 118.59 3i0u s PHE 84 Ca 0.15 -0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 3i0u s PHE 84 Cb 0.07 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 3i0u s PHE 84 CO 0.11 0.53 -0.01 0.42 -0.10 0.00 0.00 175.22 176.18 3i0u s ILE 85 N -1.97 3.44 -0.05 0.64 1.01 0.37 -4.52 121.20 120.12 3i0u s ILE 85 Ca 0.32 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 3i0u s ILE 85 Cb -0.09 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 3i0u s ILE 85 CO 0.23 0.25 0.34 -1.00 0.00 0.00 0.00 174.94 174.77 3i0u s HIS 86 N 1.45 3.66 -0.06 3.97 3.76 0.67 -1.33 115.29 127.41 3i0u s HIS 86 Ca 0.03 0.84 0.03 0.00 -0.15 0.00 0.00 55.06 55.82 3i0u s HIS 86 Cb -0.16 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.31 3i0u s HIS 86 CO -0.02 0.60 -0.16 0.00 -0.85 0.00 0.00 174.74 174.32 3i0u s ALA 87 N -0.82 1.46 -0.15 -1.40 0.00 0.34 -0.98 121.76 120.21 3i0u s ALA 87 Ca 0.21 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 3i0u s ALA 87 Cb -0.15 -0.55 0.08 0.00 0.00 0.00 0.00 23.12 22.49 3i0u s ALA 87 CO 0.10 0.21 0.27 0.00 0.00 0.00 0.00 175.76 176.34 3i0u s ARG 89 N 2.42 4.12 0.46 0.00 3.52 -0.16 0.19 118.95 129.50 3i0u s ARG 89 Ca 0.03 1.21 0.31 0.00 -0.13 0.00 0.00 55.73 57.16 3i0u s ARG 89 Cb -0.13 -3.73 1.43 0.00 -1.56 0.00 0.00 34.95 30.96 3i0u s ARG 89 CO -0.10 -0.83 1.94 1.05 -0.81 0.00 0.00 175.30 176.55 3i0u h GLU 90 N 8.04 0.00 -3.35 5.12 4.11 -1.84 -3.23 114.58 123.44 3i0u h GLU 90 Ca -0.21 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.56 3i0u h GLU 90 Cb 1.07 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.93 3i0u h GLU 90 CO 1.01 0.00 -0.46 -0.80 0.07 0.00 0.00 179.01 178.83 3i0u s ASN 91 N -4.97 4.95 0.52 3.06 0.01 -1.26 -5.10 114.94 112.14 3i0u s ASN 91 Ca 0.00 -3.30 -0.22 0.00 -0.71 0.00 0.00 52.86 48.64 3i0u s ASN 91 Cb 0.09 -1.74 -0.07 0.00 0.41 0.00 0.00 41.25 39.95 3i0u s ASN 91 CO 0.43 -0.22 1.15 -0.81 -1.51 0.00 0.00 177.10 176.14 3i0u n PRO 92 N 2.80 1.40 -1.26 -0.60 -0.04 -1.22 -5.13 135.00 130.95 3i0u n PRO 92 Ca 0.12 0.51 -0.32 0.00 -0.04 0.00 0.00 63.50 63.78 3i0u n PRO 92 Cb 0.35 -2.31 0.08 0.00 -0.04 0.00 0.00 33.50 31.59 3i0u n PRO 92 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i0u n GLN 93 N -0.62 2.53 0.00 0.54 6.02 -1.26 -5.16 117.38 119.43 3i0u n GLN 93 Ca 0.11 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.07 3i0u n GLN 93 Cb 0.44 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.51 3i0u n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i0u n GLY 96 N -0.77 -0.89 3.77 1.08 0.00 -0.99 -4.88 105.19 102.51 3i0u n GLY 96 Ca 0.58 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 3i0u n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i0u s ASP 97 N -4.00 6.58 -0.04 1.61 1.01 -1.26 -4.27 116.67 116.29 3i0u s ASP 97 Ca 0.00 2.20 -0.30 0.00 0.71 0.00 0.00 52.55 55.16 3i0u s ASP 97 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3i0u s ASP 97 CO 0.00 -0.63 1.58 0.12 0.21 0.00 0.00 175.17 176.45 3i0u s PHE 98 N -1.54 2.24 -0.13 4.23 5.36 -1.26 -0.84 117.98 126.03 3i0u s PHE 98 Ca 0.58 0.37 0.18 0.00 -0.96 0.00 0.00 56.93 57.10 3i0u s PHE 98 Cb -0.26 -3.85 0.29 0.00 -0.34 0.00 0.00 43.02 38.85 3i0u s PHE 98 CO 0.33 -3.46 1.15 1.55 -1.46 0.00 0.00 175.22 173.33 3i0u n VAL 99 N 5.25 1.83 0.00 3.12 3.14 -1.26 -4.96 118.33 125.45 3i0u n VAL 99 Ca 0.16 -2.24 0.00 0.00 -2.96 0.00 0.00 64.34 59.30 3i0u n VAL 99 Cb 0.43 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 3i0u n VAL 99 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i0u n GLY 100 N -1.36 2.24 3.66 7.55 0.00 -1.26 -4.88 105.19 111.14 3i0u n GLY 100 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3i0u n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i0u s ASP 101 N -1.92 6.65 0.12 1.61 1.01 -1.26 -2.04 116.67 120.84 3i0u s ASP 101 Ca 0.00 0.79 -0.10 0.00 0.71 0.00 0.00 52.55 53.95 3i0u s ASP 101 Cb 0.00 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.60 3i0u s ASP 101 CO 0.00 -0.23 0.25 -1.59 0.21 0.00 0.00 175.17 173.81 3i0u s LYS 102 N 1.74 0.98 0.07 8.23 -2.85 -0.67 -1.21 119.74 126.04 3i0u s LYS 102 Ca 0.27 -1.00 0.07 0.00 -1.00 0.00 0.00 55.97 54.31 3i0u s LYS 102 Cb -0.16 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 3i0u s LYS 102 CO 0.10 -0.34 -0.19 -0.06 0.10 0.00 0.00 175.35 174.96 3i0u s PHE 103 N -3.89 1.65 0.07 1.78 0.08 -0.40 -1.38 117.98 115.88 3i0u s PHE 103 Ca 0.09 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.79 3i0u s PHE 103 Cb 0.04 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3i0u s PHE 103 CO -0.07 0.12 -0.06 -1.01 -0.10 0.00 0.00 175.22 174.10 3i0u s HIS 104 N -1.00 2.87 -0.16 0.36 3.76 0.53 0.34 115.29 121.98 3i0u s HIS 104 Ca 0.05 -0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.87 3i0u s HIS 104 Cb -0.09 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 3i0u s HIS 104 CO 0.03 0.43 -0.11 0.42 -0.85 0.00 0.00 174.74 174.66 3i0u s ILE 105 N -1.18 3.05 -0.26 0.60 1.01 -0.73 -1.16 121.20 122.52 3i0u s ILE 105 Ca 0.22 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 3i0u s ILE 105 Cb -0.11 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3i0u s ILE 105 CO 0.13 0.50 0.06 -0.44 0.00 0.00 0.00 174.94 175.19 3i0u s SER 106 N 0.78 4.99 0.12 3.58 0.01 0.01 -1.99 113.70 121.19 3i0u s SER 106 Ca -0.04 -0.43 0.10 0.00 1.31 0.00 0.00 55.95 56.88 3i0u s SER 106 Cb -0.15 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 3i0u s SER 106 CO 0.01 -0.09 -0.24 -0.63 0.41 0.00 0.00 173.24 172.70 3i0u s ILE 107 N 1.55 1.98 0.21 1.44 -1.09 -1.26 -1.67 121.20 122.35 3i0u s ILE 107 Ca 0.05 -1.65 -0.32 0.00 -2.23 0.00 0.00 60.65 56.50 3i0u s ILE 107 Cb -0.16 -1.78 -0.14 0.00 -1.58 0.00 0.00 42.46 38.81 3i0u s ILE 107 CO 0.02 0.02 1.40 0.00 -1.23 0.00 0.00 174.94 175.15 3i0u n ALA 108 N 1.00 0.81 -0.25 9.38 0.00 -0.29 -3.52 120.51 127.64 3i0u n ALA 108 Ca -0.19 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 3i0u n ALA 108 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3i0u n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i0u h ARG 109 N 4.43 -0.13 0.00 0.00 2.43 -1.79 0.20 114.38 119.51 3i0u h ARG 109 Ca -0.45 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3i0u h ARG 109 Cb 1.28 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3i0u h ARG 109 CO 0.77 -0.09 0.00 0.39 -1.51 0.00 0.00 179.97 179.54 3i0u n GLU 110 N -5.43 0.14 -0.18 0.20 4.71 -1.26 -3.07 120.64 115.75 3i0u n GLU 110 Ca 0.05 0.41 0.08 0.00 -0.01 0.00 0.00 57.16 57.69 3i0u n GLU 110 Cb 0.36 -1.79 0.17 0.00 -1.01 0.00 0.00 31.44 29.18 3i0u n GLU 110 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3i0u n GLN 111 N -2.05 2.32 0.00 3.49 6.02 0.05 -4.60 117.38 122.61 3i0u n GLN 111 Ca 0.02 -2.04 -0.12 0.00 -0.01 0.00 0.00 57.00 54.86 3i0u n GLN 111 Cb 0.19 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 30.02 3i0u n GLN 111 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i0u h VAL 112 N 3.03 1.09 -0.86 5.09 2.07 -1.45 -0.89 116.25 124.32 3i0u h VAL 112 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3i0u h VAL 112 Cb 0.79 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3i0u h VAL 112 CO 0.00 0.08 0.54 -0.65 0.02 0.00 0.00 177.57 177.56 3i0u h PRO 113 N 0.01 1.16 -0.31 1.57 0.11 -1.85 -0.82 132.00 131.87 3i0u h PRO 113 Ca 0.02 -0.09 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 3i0u h PRO 113 Cb 0.09 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 3i0u h PRO 113 CO -0.00 0.79 -0.23 1.25 -0.21 0.00 0.00 178.00 179.60 3i0u h LEU 114 N 1.18 0.60 -0.62 2.35 5.85 -1.86 -2.09 115.31 120.72 3i0u h LEU 114 Ca 0.31 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 3i0u h LEU 114 Cb -0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3i0u h LEU 114 CO -0.06 0.82 -0.46 0.00 -0.34 0.00 0.00 178.44 178.40 3i0u h ALA 115 N 1.23 0.80 -0.54 1.25 0.00 -0.73 -2.05 119.26 119.22 3i0u h ALA 115 Ca 0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3i0u h ALA 115 Cb 0.68 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3i0u h ALA 115 CO 0.05 0.66 0.29 0.35 0.00 0.00 0.00 179.25 180.60 3i0u h PHE 116 N 0.44 0.75 -0.31 0.00 3.57 -1.00 0.16 116.94 120.54 3i0u h PHE 116 Ca 0.03 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3i0u h PHE 116 Cb 0.97 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3i0u h PHE 116 CO 0.04 0.55 -0.20 0.37 -2.23 0.00 0.00 178.31 176.84 3i0u h GLN 117 N 0.72 0.58 -0.22 1.11 4.15 -1.11 0.31 115.11 120.64 3i0u h GLN 117 Ca 0.19 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 3i0u h GLN 117 Cb 0.06 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3i0u h GLN 117 CO -0.03 0.74 -0.39 0.82 -1.93 0.00 0.00 178.83 178.05 3i0u h ILE 118 N 0.52 1.30 0.00 2.39 2.04 -1.01 -3.17 117.51 119.57 3i0u h ILE 118 Ca 0.08 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.41 3i0u h ILE 118 Cb 0.63 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3i0u h ILE 118 CO 0.04 0.48 -0.63 -0.07 0.00 0.00 0.00 178.15 177.97 3i0u h LEU 119 N 0.42 0.00 -1.55 1.44 3.38 0.24 -3.39 115.31 115.85 3i0u h LEU 119 Ca 0.04 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3i0u h LEU 119 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3i0u h LEU 119 CO 0.07 0.10 -0.24 0.77 0.09 0.00 0.00 178.44 179.24 3i0u h SER 120 N 0.00 0.00 0.44 -0.43 4.64 -0.40 -0.67 113.55 117.13 3i0u h SER 120 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3i0u h SER 120 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3i0u h SER 120 CO 0.00 0.24 -0.35 1.23 -0.87 0.00 0.00 176.83 177.08 3i0u h GLY 121 N 0.83 0.00 0.00 -0.77 0.00 -1.77 -1.27 103.07 100.10 3i0u h GLY 121 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3i0u h GLY 121 CO 0.03 0.00 -0.44 1.41 0.00 0.00 0.00 176.54 177.55 3i0u h LEU 122 N 0.00 0.00 -2.29 3.11 3.38 -1.46 -0.54 115.31 117.51 3i0u h LEU 122 Ca -0.00 -0.74 0.01 0.00 0.09 0.00 0.00 57.88 57.23 3i0u h LEU 122 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3i0u h LEU 122 CO 0.05 1.13 0.02 -0.07 0.09 0.00 0.00 178.44 179.65 3i0u h LEU 123 N -1.00 0.00 -2.88 1.67 3.38 -1.21 -1.24 115.31 114.03 3i0u h LEU 123 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3i0u h LEU 123 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3i0u h LEU 123 CO -0.07 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.95 3i0u n PHE 124 N -4.08 1.05 -2.16 1.13 3.72 -0.49 -4.99 117.46 111.65 3i0u n PHE 124 Ca -0.02 -0.54 -0.41 0.00 -0.05 0.00 0.00 57.45 56.43 3i0u n PHE 124 Cb 0.11 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 3i0u n PHE 124 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3i0u s SER 125 N -1.00 6.84 0.37 4.37 0.15 -0.47 -4.67 113.70 119.29 3i0u s SER 125 Ca 0.46 2.62 0.27 0.00 0.70 0.00 0.00 55.95 60.00 3i0u s SER 125 Cb 0.26 -2.64 1.20 0.00 -1.71 0.00 0.00 66.02 63.13 3i0u s SER 125 CO 0.28 -0.49 1.82 1.05 1.20 0.00 0.00 173.24 177.10 3i0u h GLU 126 N 3.66 0.00 -0.01 5.44 4.11 -1.90 -2.09 114.58 123.79 3i0u h GLU 126 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3i0u h GLU 126 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3i0u h GLU 126 CO 0.67 0.00 -0.25 -0.25 0.07 0.00 0.00 179.01 179.25 3i0u n ASP 127 N -2.52 0.98 -4.76 3.06 8.00 -1.26 -4.95 116.55 115.10 3i0u n ASP 127 Ca 0.01 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.23 3i0u n ASP 127 Cb 0.22 0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 3i0u n ASP 127 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3i0u s SER 128 N -2.50 6.46 0.00 -2.24 0.15 -0.79 -4.88 113.70 109.90 3i0u s SER 128 Ca 0.25 2.89 0.09 0.00 0.70 0.00 0.00 55.95 59.87 3i0u s SER 128 Cb 0.19 -2.64 0.37 0.00 -1.71 0.00 0.00 66.02 62.24 3i0u s SER 128 CO 0.52 -0.83 1.26 -0.81 1.20 0.00 0.00 173.24 174.58 3i0u n PRO 129 N 1.72 1.31 -3.79 5.44 -0.04 -1.26 -4.79 135.00 133.60 3i0u n PRO 129 Ca 0.06 -0.49 -0.37 0.00 -0.04 0.00 0.00 63.50 62.66 3i0u n PRO 129 Cb 0.39 -1.18 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 3i0u n PRO 129 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i0u s ILE 130 N -1.84 3.68 -0.21 0.52 -1.09 -1.26 -4.84 121.20 116.17 3i0u s ILE 130 Ca 0.15 -1.00 0.21 0.00 -2.23 0.00 0.00 60.65 57.79 3i0u s ILE 130 Cb 0.08 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 3i0u s ILE 130 CO 0.11 -0.05 1.00 0.44 -1.23 0.00 0.00 174.94 175.21 3i0u h ASP 131 N 8.18 0.00 -3.32 3.58 3.32 -1.87 -3.45 116.42 122.86 3i0u h ASP 131 Ca -0.27 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.34 3i0u h ASP 131 Cb 1.10 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 3i0u h ASP 131 CO 0.59 0.17 -0.78 -0.75 -1.72 0.00 0.00 179.24 176.75 3i0u s LYS 132 N -3.24 0.85 0.11 3.56 2.20 -1.26 -0.98 119.74 120.98 3i0u s LYS 132 Ca -0.01 -0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.56 3i0u s LYS 132 Cb 0.09 -1.02 -0.04 0.00 -1.51 0.00 0.00 37.83 35.35 3i0u s LYS 132 CO 0.79 -0.21 0.02 1.67 -0.36 0.00 0.00 175.35 177.27 3i0u s TRP 133 N 1.51 0.80 0.03 4.03 1.48 -0.51 -1.62 118.94 124.66 3i0u s TRP 133 Ca -0.01 -1.15 0.01 0.00 -1.06 0.00 0.00 56.10 53.88 3i0u s TRP 133 Cb -0.13 -0.48 -0.02 0.00 -1.16 0.00 0.00 33.47 31.68 3i0u s TRP 133 CO -0.03 -0.43 -0.05 0.15 -4.06 0.00 0.00 176.95 172.52 3i0u s LYS 134 N -3.99 0.42 -0.03 3.25 1.02 -0.67 -0.50 119.74 119.24 3i0u s LYS 134 Ca 0.18 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.47 3i0u s LYS 134 Cb 0.07 -0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.35 3i0u s LYS 134 CO -0.02 -0.01 -0.03 -1.50 -0.92 0.00 0.00 175.35 172.88 3i0u s ILE 135 N -1.57 0.35 0.22 2.17 2.07 -0.44 -0.11 121.20 123.88 3i0u s ILE 135 Ca -0.12 -0.05 -0.31 0.00 -1.41 0.00 0.00 60.65 58.76 3i0u s ILE 135 Cb -0.09 -0.39 -0.14 0.00 0.13 0.00 0.00 42.46 41.97 3i0u s ILE 135 CO -0.01 0.17 1.24 0.41 -1.91 0.00 0.00 174.94 174.84 3i0u n THR 136 N 3.87 1.08 -2.94 4.00 -1.04 -0.23 -0.48 114.28 118.54 3i0u n THR 136 Ca -0.24 -0.27 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3i0u n THR 136 Cb 0.52 -1.13 -0.04 0.00 -1.82 0.00 0.00 70.33 67.86 3i0u n THR 136 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3i0u s ASP 137 N 0.04 6.27 0.60 8.00 3.68 0.37 -4.83 116.67 130.80 3i0u s ASP 137 Ca 0.69 -1.32 0.18 0.00 2.13 0.00 0.00 52.55 54.24 3i0u s ASP 137 Cb -0.75 -2.38 1.00 0.00 -1.45 0.00 0.00 42.92 39.34 3i0u s ASP 137 CO 0.52 -1.28 1.54 0.24 0.13 0.00 0.00 175.17 176.32 3i0u h MET 138 N 9.32 0.00 0.00 4.34 2.86 -1.92 0.25 114.93 129.78 3i0u h MET 138 Ca -0.20 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.27 3i0u h MET 138 Cb 1.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3i0u h MET 138 CO 1.14 0.00 -1.13 -0.91 1.06 0.00 0.00 176.91 177.07 3i0u h ASN 139 N 0.00 0.00 0.51 1.22 2.35 -1.96 -3.33 115.58 114.38 3i0u h ASN 139 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i0u h ASN 139 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 3i0u h ASN 139 CO 0.00 0.65 -0.57 0.54 -1.65 0.00 0.00 177.43 176.40 3i0u n ARG 140 N -3.06 0.05 -3.70 0.81 3.00 0.07 -5.01 116.66 108.82 3i0u n ARG 140 Ca -0.06 0.01 -0.28 0.00 -0.01 0.00 0.00 57.85 57.51 3i0u n ARG 140 Cb 0.84 -1.53 -0.03 0.00 0.00 0.00 0.00 32.46 31.74 3i0u n ARG 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i0u s VAL 141 N -3.03 5.21 0.56 1.55 0.11 -1.16 -4.99 120.40 118.65 3i0u s VAL 141 Ca 0.10 -0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 58.68 3i0u s VAL 141 Cb 0.17 -3.72 -0.06 0.00 -1.53 0.00 0.00 36.38 31.25 3i0u s VAL 141 CO 0.72 -0.13 1.02 -0.44 -3.33 0.00 0.00 175.10 172.93 3i0u s SER 142 N -3.05 6.26 -0.03 3.54 0.01 -1.26 -5.03 113.70 114.15 3i0u s SER 142 Ca 0.39 1.63 -0.26 0.00 1.31 0.00 0.00 55.95 59.01 3i0u s SER 142 Cb -0.11 -2.51 -0.20 0.00 0.21 0.00 0.00 66.02 63.40 3i0u s SER 142 CO 0.28 -0.84 1.25 1.56 0.41 0.00 0.00 173.24 175.90 3i0u h GLN 143 N 0.54 -0.01 -0.59 12.44 1.08 -1.99 -2.95 115.11 123.63 3i0u h GLN 143 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3i0u h GLN 143 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3i0u h GLN 143 CO 0.60 0.49 0.00 1.04 -0.95 0.00 0.00 178.83 180.01 3i0u n GLN 144 N -4.85 2.77 -1.99 1.46 6.02 -1.26 -4.50 117.38 115.04 3i0u n GLN 144 Ca -0.09 -1.92 -0.42 0.00 -0.01 0.00 0.00 57.00 54.57 3i0u n GLN 144 Cb 0.26 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 3i0u n GLN 144 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i0u s SER 145 N -0.79 6.63 0.64 1.08 0.15 -1.11 -4.83 113.70 115.46 3i0u s SER 145 Ca 0.35 2.63 0.33 0.00 0.70 0.00 0.00 55.95 59.95 3i0u s SER 145 Cb 0.22 -2.61 1.79 0.00 -1.71 0.00 0.00 66.02 63.71 3i0u s SER 145 CO 0.17 -0.75 2.06 0.08 1.20 0.00 0.00 173.24 176.01 3i0u h ARG 146 N 5.83 0.00 -0.02 5.44 -0.00 -1.93 0.26 114.38 123.96 3i0u h ARG 146 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 3i0u h ARG 146 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 3i0u h ARG 146 CO 0.84 0.00 -0.21 1.55 -0.00 0.00 0.00 179.97 182.14 3i0u n VAL 147 N -3.26 0.00 -0.04 0.08 3.14 -1.26 -3.83 118.33 113.15 3i0u n VAL 147 Ca -0.00 -0.39 -0.00 0.00 -2.96 0.00 0.00 64.34 60.98 3i0u n VAL 147 Cb 0.33 1.33 -0.10 0.00 -1.06 0.00 0.00 33.84 34.33 3i0u n VAL 147 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i0u n GLY 148 N 1.23 -0.61 0.16 7.55 0.00 0.10 -4.31 105.19 109.31 3i0u n GLY 148 Ca 0.10 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3i0u n GLY 148 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i0u h ILE 149 N 0.00 0.00 -1.25 -0.61 2.10 -0.79 -3.39 117.51 113.57 3i0u h ILE 149 Ca -0.18 -0.53 0.02 0.00 1.08 0.00 0.00 64.86 65.25 3i0u h ILE 149 Cb 1.24 1.46 -0.00 0.00 -1.09 0.00 0.00 36.82 38.43 3i0u h ILE 149 CO 0.01 0.00 0.06 0.61 -1.08 0.00 0.00 178.15 177.75 3i0u n GLY 150 N 0.73 0.64 4.41 8.18 0.00 -1.25 -2.18 105.19 115.72 3i0u n GLY 150 Ca 0.04 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 3i0u n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i0u n ALA 151 N -2.85 -1.37 0.18 4.61 0.00 -1.25 -4.40 120.51 115.44 3i0u n ALA 151 Ca -0.01 -0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.32 3i0u n ALA 151 Cb 0.04 -2.48 0.10 0.00 0.00 0.00 0.00 19.45 17.11 3i0u n ALA 151 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3i0u h GLN 152 N -1.19 0.00 -6.28 0.00 7.50 -1.59 -3.43 115.11 110.12 3i0u h GLN 152 Ca -0.61 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 57.86 3i0u h GLN 152 Cb 1.39 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 28.72 3i0u h GLN 152 CO 0.83 0.23 -0.73 -0.06 -1.50 0.00 0.00 178.83 177.60 3i0u s PHE 153 N -3.10 2.82 -0.08 2.96 0.08 -1.07 -1.07 117.98 118.52 3i0u s PHE 153 Ca 0.05 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.07 3i0u s PHE 153 Cb 0.06 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.87 3i0u s PHE 153 CO 0.71 0.29 -0.22 0.99 -0.10 0.00 0.00 175.22 176.89 3i0u s THR 154 N -0.84 1.89 -0.28 0.64 2.01 0.84 -1.77 115.64 118.13 3i0u s THR 154 Ca 0.14 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 3i0u s THR 154 Cb -0.11 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.81 3i0u s THR 154 CO 0.03 0.53 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.69 3i0u s LEU 155 N 0.23 3.61 -0.20 4.42 1.02 0.15 -1.67 118.68 126.24 3i0u s LEU 155 Ca -0.13 -1.14 -0.19 0.00 0.02 0.00 0.00 54.13 52.68 3i0u s LEU 155 Cb -0.16 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 3i0u s LEU 155 CO 0.06 -0.21 0.54 -0.31 0.02 0.00 0.00 176.35 176.46 3i0u s TYR 156 N 1.26 3.37 -0.13 0.29 2.02 -0.64 -1.28 117.35 122.25 3i0u s TYR 156 Ca -0.04 0.80 -0.18 0.00 -0.37 0.00 0.00 57.07 57.29 3i0u s TYR 156 Cb -0.19 -2.70 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 3i0u s TYR 156 CO -0.03 -0.12 0.45 0.08 -1.57 0.00 0.00 175.55 174.37 3i0u s VAL 157 N 1.69 5.20 0.27 0.71 1.01 -0.35 -4.29 120.40 124.65 3i0u s VAL 157 Ca 0.25 0.90 0.08 0.00 0.00 0.00 0.00 61.98 63.21 3i0u s VAL 157 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3i0u s VAL 157 CO 0.10 0.33 0.10 -1.59 0.00 0.00 0.00 175.10 174.04 3i0u s LYS 158 N 0.66 2.57 0.36 2.72 0.00 -1.26 -4.27 119.74 120.52 3i0u s LYS 158 Ca 0.25 -1.28 -0.17 0.00 0.00 0.00 0.00 55.97 54.76 3i0u s LYS 158 Cb -0.15 -2.34 -0.10 0.00 0.00 0.00 0.00 37.83 35.25 3i0u s LYS 158 CO 0.09 0.34 0.82 -1.54 0.00 0.00 0.00 175.35 175.07 3i0u s SER 159 N -3.77 6.84 0.00 0.03 1.04 -0.02 -4.96 113.70 112.86 3i0u s SER 159 Ca 0.33 1.44 0.01 0.00 0.48 0.00 0.00 55.95 58.22 3i0u s SER 159 Cb -0.07 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.63 3i0u s SER 159 CO 0.22 -0.26 0.59 -0.90 0.98 0.00 0.00 173.24 173.87 3i0u n ASP 160 N -0.46 1.22 -4.70 7.02 5.75 -1.15 -2.33 116.55 121.89 3i0u n ASP 160 Ca 0.05 -1.15 -0.28 0.00 -0.01 0.00 0.00 54.79 53.40 3i0u n ASP 160 Cb 0.53 -0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 3i0u n ASP 160 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3i0u s GLN 161 N -0.20 2.11 0.81 0.11 -0.21 -0.55 -4.86 119.66 116.87 3i0u s GLN 161 Ca 0.02 -2.06 -0.12 0.00 0.02 0.00 0.00 55.36 53.22 3i0u s GLN 161 Cb 0.01 -1.77 0.09 0.00 1.00 0.00 0.00 33.01 32.34 3i0u s GLN 161 CO 0.02 -0.16 1.14 -1.21 -2.12 0.00 0.00 175.29 172.96 3i0u s GLU 162 N -3.84 1.76 -1.52 2.91 0.41 -1.26 -3.23 118.70 113.93 3i0u s GLU 162 Ca 0.32 1.47 -0.04 0.00 -0.41 0.00 0.00 54.97 56.31 3i0u s GLU 162 Cb 0.06 -1.82 0.01 0.00 -1.78 0.00 0.00 34.13 30.60 3i0u s GLU 162 CO 0.17 -2.07 0.42 0.00 -0.49 0.00 0.00 175.26 173.29 3i0u n SER 164 N -2.33 -4.12 -4.98 0.00 7.64 -1.20 -4.94 113.62 103.70 3i0u n SER 164 Ca -0.13 -0.42 -0.20 0.00 1.01 0.00 0.00 58.87 59.14 3i0u n SER 164 Cb 0.62 -3.38 0.02 0.00 -1.01 0.00 0.00 64.21 60.46 3i0u n SER 164 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i0u s GLN 165 N -6.03 2.81 -0.12 1.43 -0.21 -1.02 -4.78 119.66 111.73 3i0u s GLN 165 Ca 0.41 -0.92 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 3i0u s GLN 165 Cb -0.21 -2.64 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 3i0u s GLN 165 CO 0.51 -0.38 -0.09 0.71 -2.12 0.00 0.00 175.29 173.92 3i0u s TYR 166 N -2.50 2.90 0.59 0.91 2.02 -1.26 -1.47 117.35 118.53 3i0u s TYR 166 Ca 0.53 -0.34 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 3i0u s TYR 166 Cb -0.10 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 3i0u s TYR 166 CO 0.35 0.00 1.02 -1.54 -1.57 0.00 0.00 175.55 173.82 3i0u s SER 167 N 0.01 6.18 0.49 2.29 1.04 -1.26 -4.94 113.70 117.50 3i0u s SER 167 Ca -0.02 1.58 0.16 0.00 0.48 0.00 0.00 55.95 58.15 3i0u s SER 167 Cb -0.14 -2.50 1.16 0.00 0.10 0.00 0.00 66.02 64.65 3i0u s SER 167 CO 0.03 -0.90 2.08 0.00 0.98 0.00 0.00 173.24 175.43 3i0u h ALA 168 N 0.24 1.83 -0.10 5.32 0.00 -1.99 -2.31 119.26 122.26 3i0u h ALA 168 Ca -0.46 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 3i0u h ALA 168 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i0u h ALA 168 CO 0.60 0.11 -0.37 1.25 0.00 0.00 0.00 179.25 180.84 3i0u h LEU 169 N 0.00 0.50 0.05 0.00 6.46 -1.95 -0.76 115.31 119.60 3i0u h LEU 169 Ca -0.00 -0.63 0.03 0.00 -0.12 0.00 0.00 57.88 57.16 3i0u h LEU 169 Cb 0.16 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 3i0u h LEU 169 CO 0.01 1.04 -0.26 0.25 -0.62 0.00 0.00 178.44 178.86 3i0u h LEU 170 N -0.02 -0.77 -1.37 2.25 6.46 -1.90 0.25 115.31 120.22 3i0u h LEU 170 Ca -0.02 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 3i0u h LEU 170 Cb 1.01 0.31 -0.04 0.00 -0.73 0.00 0.00 40.66 41.21 3i0u h LEU 170 CO 0.08 -0.34 0.44 -0.07 -0.62 0.00 0.00 178.44 177.93 3i0u h LEU 171 N -0.43 0.71 0.19 2.25 3.38 -1.41 0.18 115.31 120.18 3i0u h LEU 171 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i0u h LEU 171 Cb 0.49 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i0u h LEU 171 CO -0.20 0.50 -0.09 -0.74 0.09 0.00 0.00 178.44 178.00 3i0u h HIS 172 N 0.83 -0.23 -0.59 1.13 2.76 -0.34 -1.08 115.15 117.63 3i0u h HIS 172 Ca 0.26 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.54 3i0u h HIS 172 Cb 0.02 0.08 -0.11 0.00 1.55 0.00 0.00 27.41 28.94 3i0u h HIS 172 CO -0.00 0.01 -0.18 0.87 -1.30 0.00 0.00 177.93 177.33 3i0u h LYS 173 N -0.45 -0.03 0.18 5.26 1.57 0.44 0.15 116.57 123.69 3i0u h LYS 173 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i0u h LYS 173 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3i0u h LYS 173 CO 0.04 -0.02 -0.18 0.82 -0.57 0.00 0.00 179.45 179.55 3i0u h ILE 174 N -0.03 0.61 -0.67 1.86 2.04 -0.65 -0.37 117.51 120.30 3i0u h ILE 174 Ca 0.28 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.25 3i0u h ILE 174 Cb 0.46 0.61 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 3i0u h ILE 174 CO -0.62 0.00 -0.39 0.03 0.00 0.00 0.00 178.15 177.16 3i0u h ARG 175 N -0.39 -0.15 -0.64 2.37 3.08 -0.73 -0.55 114.38 117.37 3i0u h ARG 175 Ca 0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3i0u h ARG 175 Cb 0.36 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3i0u h ARG 175 CO -0.04 -0.10 0.23 1.96 -1.07 0.00 0.00 179.97 180.95 3i0u h GLN 176 N -0.16 0.95 -0.16 0.04 1.08 -0.72 -2.34 115.11 113.80 3i0u h GLN 176 Ca 0.23 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 3i0u h GLN 176 Cb 0.56 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3i0u h GLN 176 CO -0.74 0.80 -0.06 0.35 -0.95 0.00 0.00 178.83 178.22 3i0u h PHE 177 N 0.93 0.37 -0.42 2.96 3.57 -0.25 -1.16 116.94 122.94 3i0u h PHE 177 Ca 0.21 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.69 3i0u h PHE 177 Cb 0.22 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 3i0u h PHE 177 CO 0.02 0.62 0.11 0.82 -2.23 0.00 0.00 178.31 177.64 3i0u h ILE 178 N 0.01 0.81 -0.92 1.41 1.08 -0.91 -0.42 117.51 118.57 3i0u h ILE 178 Ca 0.04 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 3i0u h ILE 178 Cb 0.51 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 3i0u h ILE 178 CO 0.02 0.05 0.59 0.24 -0.69 0.00 0.00 178.15 178.35 3i0u h MET 179 N 0.25 1.06 -0.19 2.37 2.86 -1.09 -0.12 114.93 120.07 3i0u h MET 179 Ca 0.20 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 3i0u h MET 179 Cb 0.23 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3i0u h MET 179 CO -0.25 0.70 -0.04 0.00 1.06 0.00 0.00 176.91 178.38 3i0u h LEU 181 N 0.08 -0.45 -0.37 0.00 3.38 -0.58 -0.44 115.31 116.92 3i0u h LEU 181 Ca 0.05 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3i0u h LEU 181 Cb 0.48 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 3i0u h LEU 181 CO 0.02 -0.20 -0.33 -0.33 0.09 0.00 0.00 178.44 177.69 3i0u h GLU 182 N -0.20 -0.26 -0.67 1.13 4.39 -0.89 -1.80 114.58 116.29 3i0u h GLU 182 Ca 0.08 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3i0u h GLU 182 Cb 0.31 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3i0u h GLU 182 CO -0.21 -0.17 0.36 1.03 -1.16 0.00 0.00 179.01 178.85 3i0u h SER 183 N -0.27 0.84 -0.40 1.42 0.87 -0.78 -0.72 113.55 114.52 3i0u h SER 183 Ca 0.16 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 3i0u h SER 183 Cb 0.54 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3i0u h SER 183 CO -0.52 0.71 -0.19 0.78 -0.53 0.00 0.00 176.83 177.08 3i0u h ASN 184 N 0.92 0.90 -0.23 6.23 4.21 -0.70 -2.53 115.58 124.37 3i0u h ASN 184 Ca 0.23 -0.32 -0.09 0.00 1.21 0.00 0.00 56.30 57.34 3i0u h ASN 184 Cb 0.06 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.01 3i0u h ASN 184 CO -0.04 1.06 -0.19 -0.07 -1.29 0.00 0.00 177.43 176.90 3i0u h LEU 185 N 0.78 0.57 -0.64 1.61 4.07 -0.84 -2.55 115.31 118.31 3i0u h LEU 185 Ca 0.11 -0.46 -0.02 0.00 0.08 0.00 0.00 57.88 57.59 3i0u h LEU 185 Cb 0.73 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 3i0u h LEU 185 CO 0.06 0.91 0.32 0.25 -1.08 0.00 0.00 178.44 178.90 3i0u h LEU 186 N 0.24 0.82 -0.19 1.67 5.85 -1.10 -2.17 115.31 120.44 3i0u h LEU 186 Ca 0.04 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i0u h LEU 186 Cb 0.74 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3i0u h LEU 186 CO 0.05 0.71 0.00 0.03 -0.34 0.00 0.00 178.44 178.89 3i0u h ARG 187 N 0.87 0.00 -0.00 1.25 3.08 -1.48 -1.05 114.38 117.06 3i0u h ARG 187 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3i0u h ARG 187 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3i0u h ARG 187 CO -0.03 0.00 -0.08 0.43 -1.07 0.00 0.00 179.97 179.22 3i0u n SER 188 N -2.86 0.46 -3.68 7.04 7.64 -0.96 -4.94 113.62 116.31 3i0u n SER 188 Ca 0.04 -0.67 -0.24 0.00 1.01 0.00 0.00 58.87 59.01 3i0u n SER 188 Cb 0.47 -0.07 0.05 0.00 -1.01 0.00 0.00 64.21 63.65 3i0u n SER 188 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3i0u n LYS 189 N -0.89 -6.28 -2.65 1.43 5.02 -0.40 -4.97 118.16 109.42 3i0u n LYS 189 Ca 0.16 0.72 -0.41 0.00 -2.02 0.00 0.00 58.31 56.75 3i0u n LYS 189 Cb 0.26 -5.60 -0.04 0.00 -0.02 0.00 0.00 35.03 29.63 3i0u n LYS 189 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i0u s ILE 190 N -3.41 4.29 0.03 -0.18 -1.09 -0.87 -5.03 121.20 114.94 3i0u s ILE 190 Ca 0.36 1.90 -0.30 0.00 -2.23 0.00 0.00 60.65 60.37 3i0u s ILE 190 Cb -0.17 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.45 3i0u s ILE 190 CO 0.78 0.29 1.13 0.00 -1.23 0.00 0.00 174.94 175.91 3i0u s ALA 191 N 0.01 3.33 0.61 9.38 0.00 -1.26 -4.79 121.76 129.03 3i0u s ALA 191 Ca 0.48 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 3i0u s ALA 191 Cb -0.25 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 3i0u s ALA 191 CO 0.31 -0.40 1.17 -1.25 0.00 0.00 0.00 175.76 175.59 3i0u s PRO 192 N 1.14 2.95 0.00 0.00 0.04 -1.26 -1.14 135.00 136.73 3i0u s PRO 192 Ca 0.56 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3i0u s PRO 192 Cb -0.26 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3i0u s PRO 192 CO 0.28 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.54 3i0u n GLY 193 N 0.21 1.45 3.58 0.56 0.00 -0.67 -3.63 105.19 106.69 3i0u n GLY 193 Ca 0.12 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3i0u n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i0u s GLU 194 N 0.19 3.78 0.53 1.61 2.12 -0.93 -4.74 118.70 121.26 3i0u s GLU 194 Ca 0.00 0.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.15 3i0u s GLU 194 Cb 0.00 -3.76 -0.06 0.00 0.26 0.00 0.00 34.13 30.58 3i0u s GLU 194 CO 0.00 -0.56 1.18 0.71 -0.54 0.00 0.00 175.26 176.05 3i0u s TYR 195 N 2.40 2.61 0.33 5.30 2.02 -1.26 -3.87 117.35 124.88 3i0u s TYR 195 Ca 0.20 1.52 -0.28 0.00 -0.37 0.00 0.00 57.07 58.14 3i0u s TYR 195 Cb -0.15 -3.41 -0.09 0.00 -0.40 0.00 0.00 41.96 37.90 3i0u s TYR 195 CO 0.12 -1.85 1.15 -2.14 -1.57 0.00 0.00 175.55 171.26 3i0u s PRO 196 N -3.10 4.40 0.36 -1.71 0.02 -1.26 -4.92 135.00 128.78 3i0u s PRO 196 Ca 0.72 1.85 0.09 0.00 0.02 0.00 0.00 61.00 63.67 3i0u s PRO 196 Cb -0.28 -2.98 0.82 0.00 0.02 0.00 0.00 34.50 32.07 3i0u s PRO 196 CO 0.32 -0.02 1.89 0.00 -0.33 0.00 0.00 177.00 178.87 3i0u h ALA 197 N 3.32 1.83 -0.73 -1.55 0.00 -2.00 -0.40 119.26 119.73 3i0u h ALA 197 Ca -0.48 0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.64 3i0u h ALA 197 Cb 1.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3i0u h ALA 197 CO 0.65 -0.04 0.52 0.66 0.00 0.00 0.00 179.25 181.04 3i0u h SER 198 N 0.69 0.04 -3.93 0.00 4.64 -1.98 -3.45 113.55 109.57 3i0u h SER 198 Ca 0.41 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.24 3i0u h SER 198 Cb 0.63 -0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.75 3i0u h SER 198 CO -0.18 0.02 0.25 -1.81 -0.87 0.00 0.00 176.83 174.24 3i0u s ASP 199 N -5.91 6.33 0.23 4.97 1.11 -0.16 -4.88 116.67 118.36 3i0u s ASP 199 Ca -0.05 1.20 0.10 0.00 0.18 0.00 0.00 52.55 53.97 3i0u s ASP 199 Cb 0.21 -2.36 -0.04 0.00 1.07 0.00 0.00 42.92 41.79 3i0u s ASP 199 CO 0.75 -0.65 -0.09 0.68 1.18 0.00 0.00 175.17 177.04 3i0u s VAL 200 N -2.82 3.11 -0.13 -1.27 -7.23 -0.49 -4.89 120.40 106.68 3i0u s VAL 200 Ca 0.52 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 3i0u s VAL 200 Cb -0.10 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 34.32 3i0u s VAL 200 CO 0.44 -0.25 0.74 0.00 -0.31 0.00 0.00 175.10 175.73 3i0u s ARG 201 N -3.22 0.93 0.81 4.82 1.70 -1.26 -0.17 118.95 122.57 3i0u s ARG 201 Ca 0.28 0.44 -0.12 0.00 -0.47 0.00 0.00 55.73 55.85 3i0u s ARG 201 Cb -0.07 0.44 0.08 0.00 -0.57 0.00 0.00 34.95 34.83 3i0u s ARG 201 CO 0.16 -0.25 1.14 -1.25 -1.08 0.00 0.00 175.30 174.02 3i0u s PRO 202 N -0.74 1.94 0.53 3.89 0.04 -1.26 -4.96 135.00 134.44 3i0u s PRO 202 Ca -0.07 0.33 0.29 0.00 0.04 0.00 0.00 61.00 61.59 3i0u s PRO 202 Cb -0.01 -1.93 1.45 0.00 0.04 0.00 0.00 34.50 34.05 3i0u s PRO 202 CO 0.06 -1.65 2.05 1.49 0.04 0.00 0.00 177.00 178.99 3i0u h GLU 203 N -1.10 0.00 -0.07 4.56 4.57 -2.01 -2.51 114.58 118.01 3i0u h GLU 203 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3i0u h GLU 203 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3i0u h GLU 203 CO 0.63 0.11 0.00 -0.40 -1.18 0.00 0.00 179.01 178.17 3i0u n ASP 204 N -3.48 0.82 -4.61 1.04 5.68 -1.26 -4.61 116.55 110.13 3i0u n ASP 204 Ca -0.01 -1.52 -0.38 0.00 -0.50 0.00 0.00 54.79 52.38 3i0u n ASP 204 Cb 0.26 -0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 40.09 3i0u n ASP 204 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 3i0u s TRP 205 N -1.91 3.25 -0.04 2.11 0.52 -0.95 -4.94 118.94 116.98 3i0u s TRP 205 Ca 0.32 0.22 0.20 0.00 0.02 0.00 0.00 56.10 56.86 3i0u s TRP 205 Cb 0.16 -2.41 -0.30 0.00 -1.15 0.00 0.00 33.47 29.77 3i0u s TRP 205 CO 0.26 -0.13 0.41 1.63 0.02 0.00 0.00 176.95 179.13 3i0u n LYS 206 N 4.97 0.63 0.00 4.98 5.02 -1.26 -4.73 118.16 127.78 3i0u n LYS 206 Ca -0.13 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 3i0u n LYS 206 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3i0u n LYS 206 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i0u n TYR 207 N -2.23 0.00 -3.16 2.13 4.01 -1.26 -4.77 117.16 111.88 3i0u n TYR 207 Ca -0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.32 3i0u n TYR 207 Cb 0.56 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.53 3i0u n TYR 207 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3i0u s VAL 208 N -1.92 4.62 0.07 -0.72 1.01 -1.26 -0.81 120.40 121.38 3i0u s VAL 208 Ca 0.00 1.24 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 3i0u s VAL 208 Cb 0.00 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3i0u s VAL 208 CO 0.00 0.29 0.11 -0.94 0.00 0.00 0.00 175.10 174.56 3i0u s SER 209 N -1.54 0.24 -0.04 3.32 1.04 -0.31 -4.85 113.70 111.55 3i0u s SER 209 Ca 0.39 -0.72 0.06 0.00 0.48 0.00 0.00 55.95 56.17 3i0u s SER 209 Cb -0.17 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 3i0u s SER 209 CO 0.21 -0.64 -0.24 -0.47 0.98 0.00 0.00 173.24 173.07 3i0u s TYR 210 N -3.60 2.43 -0.01 5.02 5.04 0.76 -0.35 117.35 126.65 3i0u s TYR 210 Ca 0.03 -0.55 0.02 0.00 -2.44 0.00 0.00 57.07 54.13 3i0u s TYR 210 Cb 0.04 -1.57 -0.00 0.00 0.35 0.00 0.00 41.96 40.78 3i0u s TYR 210 CO -0.09 -0.11 -0.05 0.50 -1.34 0.00 0.00 175.55 174.46 3i0u s ARG 211 N -0.38 0.46 -0.30 4.97 3.52 -0.48 -1.39 118.95 125.34 3i0u s ARG 211 Ca 0.03 -0.19 -0.09 0.00 -0.13 0.00 0.00 55.73 55.35 3i0u s ARG 211 Cb -0.12 -0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 32.82 3i0u s ARG 211 CO 0.02 0.11 0.13 1.21 -0.81 0.00 0.00 175.30 175.95 3i0u s ASN 212 N -0.09 5.41 0.23 -2.12 3.84 -1.26 -1.67 114.94 119.28 3i0u s ASN 212 Ca 0.02 -0.48 -0.06 0.00 0.21 0.00 0.00 52.86 52.55 3i0u s ASN 212 Cb -0.03 -1.97 0.38 0.00 -0.55 0.00 0.00 41.25 39.08 3i0u s ASN 212 CO -0.00 -0.16 1.76 -0.33 -2.79 0.00 0.00 177.10 175.58 3i0u h GLU 213 N 8.31 0.52 -0.99 0.43 5.08 -1.79 -2.97 114.58 123.17 3i0u h GLU 213 Ca -0.33 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.06 3i0u h GLU 213 Cb 1.15 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 3i0u h GLU 213 CO 0.60 0.34 0.64 -0.07 -1.00 0.00 0.00 179.01 179.53 3i0u h LEU 214 N 0.54 1.02 0.00 1.33 3.38 -1.90 -3.52 115.31 116.16 3i0u h LEU 214 Ca 0.37 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3i0u h LEU 214 Cb 0.46 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3i0u h LEU 214 CO -0.32 0.65 0.00 0.54 0.09 0.00 0.00 178.44 179.40 3i0u n ARG 215 N -4.50 2.49 0.00 1.13 3.00 -1.13 -5.22 116.66 112.43 3i0u n ARG 215 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 3i0u n ARG 215 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.65 3i0u n ARG 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i0u n GLN 226 N 0.00 0.00 -0.25 5.56 10.64 -1.26 -4.84 117.38 127.23 3i0u n GLN 226 Ca 0.00 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.23 3i0u n GLN 226 Cb 0.00 0.00 0.19 0.00 -0.86 0.00 0.00 30.24 29.57 3i0u n GLN 226 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3i0u n MET 227 N 0.00 2.91 0.09 2.61 3.85 -1.26 -4.50 117.12 120.83 3i0u n MET 227 Ca 0.00 -2.25 -0.02 0.00 -1.00 0.00 0.00 57.70 54.43 3i0u n MET 227 Cb 0.00 -1.41 -0.05 0.00 -1.05 0.00 0.00 33.22 30.71 3i0u n MET 227 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3i0u h LEU 228 N 2.15 0.00 -1.53 3.17 5.85 -1.98 -3.11 115.31 119.86 3i0u h LEU 228 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i0u h LEU 228 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3i0u h LEU 228 CO 0.05 0.71 0.00 0.03 -0.34 0.00 0.00 178.44 178.89 3i0u h ARG 229 N 0.00 0.00 0.00 1.25 3.08 -1.99 -3.03 114.38 113.69 3i0u h ARG 229 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3i0u h ARG 229 Cb 1.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 3i0u h ARG 229 CO 0.08 0.00 -0.45 0.93 -1.07 0.00 0.00 179.97 179.46 3i0u h GLU 230 N 0.00 0.00 -6.06 0.04 5.08 -1.84 -3.42 114.58 108.38 3i0u h GLU 230 Ca 0.00 0.00 -0.81 0.00 -1.00 0.00 0.00 59.36 57.55 3i0u h GLU 230 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 3i0u h GLU 230 CO 0.00 0.02 0.82 0.39 -1.00 0.00 0.00 179.01 179.25 3i0u n GLU 231 N -2.93 0.52 -0.12 2.33 -0.58 -1.15 -4.80 120.64 113.92 3i0u n GLU 231 Ca 0.02 0.19 -0.03 0.00 -0.42 0.00 0.00 57.16 56.92 3i0u n GLU 231 Cb 0.55 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 3i0u n GLU 231 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3i0u n PRO 232 N 4.84 -0.12 -0.31 3.49 -0.02 -1.26 -1.34 135.00 140.27 3i0u n PRO 232 Ca 0.30 0.83 0.16 0.00 -2.02 0.00 0.00 63.50 62.77 3i0u n PRO 232 Cb 0.03 -1.23 0.33 0.00 -0.02 0.00 0.00 33.50 32.60 3i0u n PRO 232 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3i0u h PHE 233 N 0.00 0.32 -0.23 6.00 3.57 -1.99 -0.59 116.94 124.02 3i0u h PHE 233 Ca 0.04 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 3i0u h PHE 233 Cb 0.11 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3i0u h PHE 233 CO -0.67 -0.29 -0.29 -0.92 -2.23 0.00 0.00 178.31 173.90 3i0u h TYR 234 N 0.14 0.74 -0.71 0.41 3.20 -1.55 -2.72 116.97 116.48 3i0u h TYR 234 Ca 0.60 -0.24 0.04 0.00 3.14 0.00 0.00 58.73 62.27 3i0u h TYR 234 Cb 1.28 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 3i0u h TYR 234 CO -0.29 0.96 0.44 0.00 -1.64 0.00 0.00 178.16 177.63 3i0u h ARG 235 N 0.31 0.81 0.00 1.82 3.08 0.02 0.10 114.38 120.52 3i0u h ARG 235 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3i0u h ARG 235 Cb 0.86 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3i0u h ARG 235 CO 0.07 0.54 0.00 -0.07 -1.07 0.00 0.00 179.97 179.44 3i0u h LEU 236 N 0.84 0.00 0.05 3.04 3.38 -1.20 -2.12 115.31 119.29 3i0u h LEU 236 Ca 0.30 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.02 3i0u h LEU 236 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3i0u h LEU 236 CO -0.13 0.00 -1.17 0.24 0.09 0.00 0.00 178.44 177.47 3i0u h MET 237 N 0.00 0.10 0.00 1.13 2.86 -0.48 -3.41 114.93 115.13 3i0u h MET 237 Ca 0.00 -0.18 -0.19 0.00 -2.06 0.00 0.00 59.70 57.27 3i0u h MET 237 Cb 0.23 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 3i0u h MET 237 CO 0.00 1.04 -1.72 0.44 1.06 0.00 0.00 176.91 177.73 3i0u n ILE 238 N -3.39 0.72 1.99 -1.22 -5.35 -1.05 -4.92 119.36 106.15 3i0u n ILE 238 Ca -0.05 -0.41 0.16 0.00 -0.27 0.00 0.00 62.75 62.17 3i0u n ILE 238 Cb 0.98 -0.77 0.94 0.00 -1.74 0.00 0.00 39.64 39.06 3i0u n ILE 238 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17