#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0u h LEU 32 N 0.00 0.90 -0.32 0.55 4.07 -2.05 -1.96 115.31 116.50 3i0u h LEU 32 Ca 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 3i0u h LEU 32 Cb 0.00 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 3i0u h LEU 32 CO 0.00 0.64 0.20 0.11 -1.08 0.00 0.00 178.44 178.30 3i0u h LYS 33 N 1.06 0.43 -0.49 1.13 1.57 -2.05 0.21 116.57 118.44 3i0u h LYS 33 Ca 0.31 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3i0u h LYS 33 Cb -0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3i0u h LYS 33 CO -0.09 0.32 0.16 -0.97 -0.57 0.00 0.00 179.45 178.31 3i0u h ASN 34 N 0.42 0.71 0.61 0.86 -1.24 -1.95 -1.12 115.58 113.86 3i0u h ASN 34 Ca 0.12 -0.20 -0.08 0.00 0.71 0.00 0.00 56.30 56.85 3i0u h ASN 34 Cb -0.00 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 3i0u h ASN 34 CO -0.02 0.72 -0.36 0.78 -1.29 0.00 0.00 177.43 177.26 3i0u h ASN 35 N 0.65 0.00 -0.01 1.15 2.35 -1.15 0.28 115.58 118.86 3i0u h ASN 35 Ca 0.16 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3i0u h ASN 35 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3i0u h ASN 35 CO -0.01 0.36 0.00 0.15 -1.65 0.00 0.00 177.43 176.28 3i0u h PHE 36 N 0.00 0.01 0.00 1.19 3.57 -0.87 -2.92 116.94 117.92 3i0u h PHE 36 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3i0u h PHE 36 Cb 0.76 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3i0u h PHE 36 CO 0.00 0.30 -0.41 -0.91 -2.23 0.00 0.00 178.31 175.06 3i0u h ASN 37 N -0.28 0.00 -0.02 0.41 2.35 -0.60 0.72 115.58 118.16 3i0u h ASN 37 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3i0u h ASN 37 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3i0u h ASN 37 CO 0.00 0.41 -0.09 0.40 -1.65 0.00 0.00 177.43 176.50 3i0u h ILE 38 N 0.00 0.76 -0.34 2.81 2.04 -0.52 -1.90 117.51 120.36 3i0u h ILE 38 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3i0u h ILE 38 Cb 0.75 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3i0u h ILE 38 CO 0.05 0.00 0.16 -0.07 0.00 0.00 0.00 178.15 178.29 3i0u h LEU 39 N -0.15 0.45 0.10 1.44 3.38 -1.21 -3.02 115.31 116.30 3i0u h LEU 39 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3i0u h LEU 39 Cb 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i0u h LEU 39 CO -0.11 0.47 -0.05 0.22 0.09 0.00 0.00 178.44 179.06 3i0u h TYR 40 N 0.41 -0.12 0.00 1.13 3.20 -0.66 -2.36 116.97 118.56 3i0u h TYR 40 Ca 0.12 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3i0u h TYR 40 Cb 0.14 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 3i0u h TYR 40 CO -0.01 -0.06 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.38 3i0u h ASN 41 N -0.15 0.00 -0.34 -2.11 2.35 -1.45 -2.99 115.58 110.90 3i0u h ASN 41 Ca -0.01 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 3i0u h ASN 41 Cb 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 3i0u h ASN 41 CO 0.02 0.15 -0.45 1.56 -1.65 0.00 0.00 177.43 177.07 3i0u h GLN 42 N 0.00 0.91 -0.97 0.81 4.20 -1.30 -3.02 115.11 115.73 3i0u h GLN 42 Ca -0.00 -0.51 0.04 0.00 0.06 0.00 0.00 58.65 58.24 3i0u h GLN 42 Cb 0.70 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 3i0u h GLN 42 CO 0.02 1.16 0.63 0.82 -0.67 0.00 0.00 178.83 180.79 3i0u h ILE 43 N 0.73 1.14 0.00 2.54 2.04 -1.32 -1.59 117.51 121.05 3i0u h ILE 43 Ca 0.04 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i0u h ILE 43 Cb 1.04 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3i0u h ILE 43 CO 0.10 0.22 0.00 0.54 0.00 0.00 0.00 178.15 179.01 3i0u n ARG 44 N -4.45 0.15 0.14 2.37 1.74 -1.19 -2.77 116.66 112.65 3i0u n ARG 44 Ca 0.14 0.15 0.02 0.00 -0.77 0.00 0.00 57.85 57.39 3i0u n ARG 44 Cb 0.12 -1.69 0.07 0.00 -1.02 0.00 0.00 32.46 29.94 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 -6.86 5.56 4.20 -1.16 -3.46 115.11 113.39 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 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3i0u h GLN 45 CO 0.00 0.54 0.40 0.71 -0.67 0.00 0.00 178.83 179.81 3i0u s TYR 46 N -3.05 3.59 0.81 2.96 2.02 -1.11 -5.05 117.35 117.51 3i0u s TYR 46 Ca 0.03 1.74 -0.11 0.00 -0.37 0.00 0.00 57.07 58.36 3i0u s TYR 46 Cb 0.08 -3.09 0.08 0.00 -0.40 0.00 0.00 41.96 38.63 3i0u s TYR 46 CO 0.74 -0.20 1.10 -1.25 -1.57 0.00 0.00 175.55 174.37 3i0u s PRO 47 N -1.88 1.97 0.18 -1.71 0.04 -1.26 -4.96 135.00 127.38 3i0u s PRO 47 Ca 0.49 0.68 -0.33 0.00 0.04 0.00 0.00 61.00 61.88 3i0u s PRO 47 Cb -0.24 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 3i0u s PRO 47 CO 0.31 -1.71 1.27 0.00 0.04 0.00 0.00 177.00 176.91 3i0u n ALA 48 N -3.50 -0.20 -2.83 8.56 0.00 -1.26 -4.97 120.51 116.30 3i0u n ALA 48 Ca 0.07 0.45 -0.36 0.00 0.00 0.00 0.00 53.44 53.60 3i0u n ALA 48 Cb 0.56 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.03 3.50 -0.02 0.00 5.04 -1.26 -5.10 117.35 119.48 3i0u s TYR 49 Ca 0.73 0.45 0.07 0.00 -2.44 0.00 0.00 57.07 55.88 3i0u s TYR 49 Cb -0.80 -1.91 -0.02 0.00 0.35 0.00 0.00 41.96 39.58 3i0u s TYR 49 CO 0.50 0.67 -0.22 0.71 -1.34 0.00 0.00 175.55 175.88 3i0u s TYR 50 N -0.99 2.46 -0.27 4.97 2.02 -1.26 -4.94 117.35 119.35 3i0u s TYR 50 Ca 0.15 -0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 56.46 3i0u s TYR 50 Cb -0.12 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.91 3i0u s TYR 50 CO 0.04 0.06 0.02 -0.06 -1.57 0.00 0.00 175.55 174.04 3i0u s PHE 51 N -0.68 3.09 -0.13 2.71 0.08 -1.26 -5.01 117.98 116.78 3i0u s PHE 51 Ca 0.11 -1.07 -0.29 0.00 0.12 0.00 0.00 56.93 55.80 3i0u s PHE 51 Cb -0.10 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 3i0u s PHE 51 CO -0.00 -0.59 1.92 0.21 -0.10 0.00 0.00 175.22 176.66 3i0u s LYS 52 N 1.46 3.70 0.04 0.44 2.20 -1.26 -4.94 119.74 121.39 3i0u s LYS 52 Ca 0.03 2.10 -0.31 0.00 -0.36 0.00 0.00 55.97 57.43 3i0u s LYS 52 Cb -0.16 -4.18 -0.06 0.00 -1.51 0.00 0.00 37.83 31.91 3i0u s LYS 52 CO -0.00 -1.43 1.34 0.08 -0.36 0.00 0.00 175.35 174.98 3i0u s VAL 53 N 5.92 3.68 0.26 4.02 1.01 -1.26 -4.25 120.40 129.78 3i0u s VAL 53 Ca 0.86 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.69 3i0u s VAL 53 Cb -0.33 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 3i0u s VAL 53 CO 0.35 0.04 1.48 0.00 0.00 0.00 0.00 175.10 176.97 3i0u s ALA 54 N 1.72 3.66 -0.26 5.51 0.00 -0.67 -4.98 121.76 126.74 3i0u s ALA 54 Ca 0.63 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.94 3i0u s ALA 54 Cb -0.32 -3.58 -0.15 0.00 0.00 0.00 0.00 23.12 19.07 3i0u s ALA 54 CO 0.28 -0.80 -0.26 -1.13 0.00 0.00 0.00 175.76 173.85 3i0u n SER 55 N 2.34 2.00 -4.56 0.00 3.41 -1.26 -4.48 113.62 111.07 3i0u n SER 55 Ca 0.07 0.02 -0.40 0.00 -0.26 0.00 0.00 58.87 58.30 3i0u n SER 55 Cb 0.40 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 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 -6.76 6.38 0.01 4.04 0.01 -1.26 -4.94 114.94 112.42 3i0u s ASN 56 Ca -0.35 -1.28 0.08 0.00 -0.71 0.00 0.00 52.86 50.60 3i0u s ASN 56 Cb 0.11 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 3i0u s ASN 56 CO 0.54 -1.62 -0.24 0.68 -1.51 0.00 0.00 177.10 174.95 3i0u s VAL 57 N 5.36 1.91 0.58 1.60 -7.23 -1.26 -4.75 120.40 116.61 3i0u s VAL 57 Ca 0.46 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 59.31 3i0u s VAL 57 Cb -0.01 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3i0u s VAL 57 CO -0.06 0.44 1.08 -2.16 -0.31 0.00 0.00 175.10 174.09 3i0u s PRO 58 N -0.84 3.29 0.77 4.82 0.04 -1.26 -5.03 135.00 136.78 3i0u s PRO 58 Ca 0.10 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 3i0u s PRO 58 Cb -0.09 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.48 3i0u s PRO 58 CO 0.00 -0.86 1.13 0.95 0.04 0.00 0.00 177.00 178.26 3i0u s THR 59 N -2.18 2.82 0.20 1.26 -4.23 -1.26 -4.89 115.64 107.36 3i0u s THR 59 Ca 0.67 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 61.29 3i0u s THR 59 Cb -0.19 -3.22 0.20 0.00 1.34 0.00 0.00 72.50 70.63 3i0u s THR 59 CO 0.33 -0.35 1.63 0.22 -0.54 0.00 0.00 174.62 175.91 3i0u h TYR 60 N -0.90 -0.41 -0.11 3.99 3.20 -1.94 -2.38 116.97 118.43 3i0u h TYR 60 Ca -0.46 0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.40 3i0u h TYR 60 Cb 1.29 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 3i0u h TYR 60 CO 0.42 -0.28 -0.23 0.66 -1.64 0.00 0.00 178.16 177.09 3i0u h SER 61 N -0.04 0.18 -0.34 -2.11 4.64 -1.97 -2.29 113.55 111.62 3i0u h SER 61 Ca 0.27 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3i0u h SER 61 Cb 0.45 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3i0u h SER 61 CO -0.61 0.43 0.21 0.44 -0.87 0.00 0.00 176.83 176.43 3i0u h ASP 62 N 0.17 0.41 0.84 4.97 3.32 -1.81 -2.34 116.42 121.98 3i0u h ASP 62 Ca 0.03 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3i0u h ASP 62 Cb 0.52 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3i0u h ASP 62 CO 0.04 0.33 -0.04 0.16 -1.72 0.00 0.00 179.24 178.00 3i0u h ILE 63 N 0.45 0.12 0.00 0.35 3.07 -1.22 -2.47 117.51 117.81 3i0u h ILE 63 Ca 0.12 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.99 3i0u h ILE 63 Cb -0.01 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 3i0u h ILE 63 CO -0.02 0.04 0.00 0.00 -1.05 0.00 0.00 178.15 177.12 3i0u n GLN 65 N -2.88 0.29 -1.49 0.00 6.02 -1.09 -4.90 117.38 113.34 3i0u n GLN 65 Ca 0.01 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.79 3i0u n GLN 65 Cb 0.31 -1.21 -0.10 0.00 1.02 0.00 0.00 30.24 30.26 3i0u n GLN 65 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3i0u n SER 66 N -1.81 0.70 0.31 1.08 7.64 -0.95 -4.81 113.62 115.77 3i0u n SER 66 Ca -0.02 -1.67 -0.15 0.00 1.01 0.00 0.00 58.87 58.03 3i0u n SER 66 Cb 0.24 -1.39 -0.08 0.00 -1.01 0.00 0.00 64.21 61.96 3i0u n SER 66 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3i0u h PHE 67 N 11.66 -1.10 -1.92 1.43 -1.00 -1.83 -2.48 116.94 121.70 3i0u h PHE 67 Ca 0.01 -0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 3i0u h PHE 67 Cb 1.02 0.41 -0.30 0.00 3.61 0.00 0.00 35.95 40.69 3i0u h PHE 67 CO 1.20 -0.58 -0.50 0.45 -1.61 0.00 0.00 178.31 177.27 3i0u s SER 68 N -3.82 0.37 -0.25 2.17 0.15 -1.25 -2.85 113.70 108.21 3i0u s SER 68 Ca -0.15 0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 3i0u s SER 68 Cb 0.03 1.06 0.07 0.00 -1.71 0.00 0.00 66.02 65.47 3i0u s SER 68 CO 0.48 -0.31 0.61 -0.69 1.20 0.00 0.00 173.24 174.54 3i0u s VAL 69 N 2.53 -0.01 -0.11 4.45 1.01 -0.95 -5.00 120.40 122.32 3i0u s VAL 69 Ca 0.12 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 3i0u s VAL 69 Cb -0.15 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3i0u s VAL 69 CO -0.18 0.01 0.31 -0.04 0.00 0.00 0.00 175.10 175.21 3i0u s MET 70 N 1.45 4.08 -0.04 2.72 -1.94 -1.26 -0.05 119.30 124.26 3i0u s MET 70 Ca -0.09 0.17 -0.01 0.00 -1.71 0.00 0.00 55.69 54.04 3i0u s MET 70 Cb -0.06 -3.35 0.03 0.00 2.01 0.00 0.00 34.83 33.47 3i0u s MET 70 CO -0.16 0.41 0.06 0.71 -0.01 0.00 0.00 175.02 176.03 3i0u s TYR 71 N -0.07 0.01 -1.50 -0.03 2.02 0.12 -4.91 117.35 112.99 3i0u s TYR 71 Ca 0.19 0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 57.03 3i0u s TYR 71 Cb -0.14 -0.34 0.07 0.00 -0.40 0.00 0.00 41.96 41.16 3i0u s TYR 71 CO 0.07 -0.16 0.97 1.04 -1.57 0.00 0.00 175.55 175.90 3i0u n GLN 72 N 4.79 -5.69 -0.31 -0.62 1.13 -1.26 -1.02 117.38 114.40 3i0u n GLN 72 Ca -0.15 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 3i0u n GLN 72 Cb 0.50 -5.49 0.00 0.00 0.11 0.00 0.00 30.24 25.36 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 -1.71 1.77 3.74 1.08 0.00 -1.26 -4.93 105.19 103.88 3i0u n GLY 73 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.80 3.48 -0.03 1.61 0.08 -0.19 -2.48 117.98 117.66 3i0u s PHE 74 Ca 0.00 0.63 -0.22 0.00 0.12 0.00 0.00 56.93 57.46 3i0u s PHE 74 Cb 0.00 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 3i0u s PHE 74 CO 0.00 0.27 0.63 -1.14 -0.10 0.00 0.00 175.22 174.88 3i0u s GLN 75 N 0.35 4.37 -0.18 0.44 0.74 0.11 -0.71 119.66 124.79 3i0u s GLN 75 Ca 0.17 0.78 -0.03 0.00 0.05 0.00 0.00 55.36 56.33 3i0u s GLN 75 Cb -0.13 -3.39 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 3i0u s GLN 75 CO 0.05 0.25 -0.05 0.42 -0.55 0.00 0.00 175.29 175.41 3i0u s ILE 76 N 0.21 3.62 -0.02 -2.34 -1.09 0.92 -1.12 121.20 121.38 3i0u s ILE 76 Ca 0.33 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.35 3i0u s ILE 76 Cb -0.18 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.09 3i0u s ILE 76 CO 0.17 0.47 -0.14 0.68 -1.23 0.00 0.00 174.94 174.89 3i0u s VAL 77 N 0.79 1.12 -0.46 2.92 -7.23 -0.59 -2.24 120.40 114.70 3i0u s VAL 77 Ca -0.02 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 3i0u s VAL 77 Cb -0.15 -0.95 0.15 0.00 0.56 0.00 0.00 36.38 36.00 3i0u s VAL 77 CO 0.02 0.32 0.30 0.21 -0.31 0.00 0.00 175.10 175.64 3i0u s ASN 78 N -0.15 3.22 0.17 4.85 2.47 -0.93 -0.76 114.94 123.80 3i0u s ASN 78 Ca 0.02 -2.86 -0.21 0.00 0.42 0.00 0.00 52.86 50.23 3i0u s ASN 78 Cb -0.07 -0.90 -0.08 0.00 -1.45 0.00 0.00 41.25 38.75 3i0u s ASN 78 CO 0.00 -0.22 0.69 -2.28 -3.72 0.00 0.00 177.10 171.57 3i0u s HIS 79 N 0.10 3.76 -1.32 0.43 5.65 -1.26 -4.68 115.29 117.96 3i0u s HIS 79 Ca 0.22 1.41 0.11 0.00 0.25 0.00 0.00 55.06 57.05 3i0u s HIS 79 Cb -0.14 -2.61 0.55 0.00 -1.18 0.00 0.00 32.58 29.20 3i0u s HIS 79 CO -0.07 0.45 1.29 -1.13 -0.65 0.00 0.00 174.74 174.64 3i0u n SER 80 N 1.21 0.00 0.27 9.88 3.41 -1.26 -2.91 113.62 124.21 3i0u n SER 80 Ca -0.05 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 58.89 3i0u n SER 80 Cb 0.50 -0.34 0.74 0.00 -0.26 0.00 0.00 64.21 64.85 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 1.90 0.00 -1.77 5.00 0.00 -1.97 -3.44 103.07 102.80 3i0u h GLY 81 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 3i0u h GLY 81 CO 0.00 0.00 -0.22 0.51 0.00 0.00 0.00 176.54 176.83 3i0u s ASP 82 N -6.32 0.86 0.00 0.19 1.47 -1.15 -5.03 116.67 106.69 3i0u s ASP 82 Ca -0.04 -1.46 0.09 0.00 1.18 0.00 0.00 52.55 52.33 3i0u s ASP 82 Cb 0.14 0.64 0.44 0.00 -0.34 0.00 0.00 42.92 43.80 3i0u s ASP 82 CO 0.60 -1.26 1.30 0.55 0.68 0.00 0.00 175.17 177.04 3i0u n VAL 83 N -0.54 0.10 -4.22 2.11 3.14 -1.26 -4.77 118.33 112.89 3i0u n VAL 83 Ca 0.01 -0.12 -0.25 0.00 -2.96 0.00 0.00 64.34 61.03 3i0u n VAL 83 Cb 0.62 -0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.32 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 -1.90 2.84 -0.23 1.45 0.08 -1.26 -0.71 117.98 118.25 3i0u s PHE 84 Ca 0.15 -0.16 -0.03 0.00 0.12 0.00 0.00 56.93 57.02 3i0u s PHE 84 Cb 0.07 -1.33 0.01 0.00 -0.57 0.00 0.00 43.02 41.20 3i0u s PHE 84 CO 0.11 0.55 -0.06 0.42 -0.10 0.00 0.00 175.22 176.14 3i0u s ILE 85 N -1.96 3.07 0.00 0.64 1.01 0.92 -4.54 121.20 120.35 3i0u s ILE 85 Ca 0.29 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 3i0u s ILE 85 Cb -0.08 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3i0u s ILE 85 CO 0.20 0.33 0.36 -1.00 0.00 0.00 0.00 174.94 174.83 3i0u s HIS 86 N 1.40 3.66 -0.05 3.97 3.76 0.06 -1.18 115.29 126.92 3i0u s HIS 86 Ca 0.03 0.85 0.03 0.00 -0.15 0.00 0.00 55.06 55.82 3i0u s HIS 86 Cb -0.15 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.36 3i0u s HIS 86 CO -0.05 0.62 -0.13 0.00 -0.85 0.00 0.00 174.74 174.34 3i0u s ALA 87 N -1.17 1.25 -0.21 -1.40 0.00 0.99 -1.54 121.76 119.68 3i0u s ALA 87 Ca 0.25 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 3i0u s ALA 87 Cb -0.15 -0.51 0.11 0.00 0.00 0.00 0.00 23.12 22.57 3i0u s ALA 87 CO 0.13 0.16 0.30 0.00 0.00 0.00 0.00 175.76 176.36 3i0u s ARG 89 N 2.44 4.27 0.53 0.00 3.52 0.17 0.07 118.95 129.96 3i0u s ARG 89 Ca 0.08 1.63 0.32 0.00 -0.13 0.00 0.00 55.73 57.64 3i0u s ARG 89 Cb -0.15 -3.69 1.24 0.00 -1.56 0.00 0.00 34.95 30.79 3i0u s ARG 89 CO -0.13 -0.62 1.94 1.05 -0.81 0.00 0.00 175.30 176.73 3i0u h GLU 90 N 7.91 0.00 -3.39 5.12 4.11 -1.82 -3.21 114.58 123.30 3i0u h GLU 90 Ca -0.28 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.47 3i0u h GLU 90 Cb 1.12 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 29.99 3i0u h GLU 90 CO 0.94 0.02 -0.38 -0.80 0.07 0.00 0.00 179.01 178.86 3i0u s ASN 91 N -5.78 5.18 0.48 3.06 0.01 -1.26 -5.10 114.94 111.52 3i0u s ASN 91 Ca 0.02 -3.27 -0.23 0.00 -0.71 0.00 0.00 52.86 48.66 3i0u s ASN 91 Cb 0.09 -1.79 -0.08 0.00 0.41 0.00 0.00 41.25 39.87 3i0u s ASN 91 CO 0.56 -0.25 1.18 -0.81 -1.51 0.00 0.00 177.10 176.27 3i0u n PRO 92 N 2.87 1.57 0.03 -0.60 -0.04 -1.21 -4.91 135.00 132.70 3i0u n PRO 92 Ca 0.13 0.57 0.11 0.00 -0.04 0.00 0.00 63.50 64.27 3i0u n PRO 92 Cb 0.36 -2.31 0.09 0.00 -0.04 0.00 0.00 33.50 31.60 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 -0.34 0.24 -3.81 0.54 6.02 -1.26 -4.46 117.38 114.31 3i0u n GLN 93 Ca 0.09 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.77 3i0u n GLN 93 Cb 0.42 -1.60 -0.11 0.00 1.02 0.00 0.00 30.24 29.97 3i0u n GLN 93 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3i0u s SER 94 N -3.85 4.89 0.00 1.08 0.01 -1.26 -4.93 113.70 109.63 3i0u s SER 94 Ca 0.05 -2.98 0.00 0.00 1.31 0.00 0.00 55.95 54.33 3i0u s SER 94 Cb 0.15 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.61 3i0u s SER 94 CO 0.77 -0.30 0.48 0.29 0.41 0.00 0.00 173.24 174.88 3i0u n LYS 95 N 3.25 0.55 -0.39 12.44 5.02 -1.25 -4.66 118.16 133.12 3i0u n LYS 95 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3i0u n LYS 95 Cb 0.35 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 3i0u n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i0u n GLY 96 N 0.10 4.60 3.77 0.72 0.00 -0.41 -5.01 105.19 108.95 3i0u n GLY 96 Ca 0.00 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.20 6.11 -0.10 1.61 1.01 -1.26 -4.37 116.67 119.47 3i0u s ASP 97 Ca 0.00 2.29 -0.30 0.00 0.71 0.00 0.00 52.55 55.25 3i0u s ASP 97 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3i0u s ASP 97 CO 0.00 -0.96 1.45 0.12 0.21 0.00 0.00 175.17 175.99 3i0u s PHE 98 N -1.57 2.47 -0.14 4.23 5.36 -1.26 -0.43 117.98 126.63 3i0u s PHE 98 Ca 0.65 0.63 0.18 0.00 -0.96 0.00 0.00 56.93 57.43 3i0u s PHE 98 Cb -0.28 -3.70 0.30 0.00 -0.34 0.00 0.00 43.02 39.00 3i0u s PHE 98 CO 0.34 -2.72 1.16 1.55 -1.46 0.00 0.00 175.22 174.09 3i0u n VAL 99 N 5.35 1.90 0.00 3.12 3.14 -1.26 -4.96 118.33 125.61 3i0u n VAL 99 Ca 0.15 -2.34 0.00 0.00 -2.96 0.00 0.00 64.34 59.19 3i0u n VAL 99 Cb 0.44 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 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 -1.38 1.82 3.70 7.55 0.00 -1.26 -4.88 105.19 110.74 3i0u n GLY 100 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.94 6.36 0.10 1.61 1.01 -1.26 -1.83 116.67 120.72 3i0u s ASP 101 Ca 0.00 0.42 -0.19 0.00 0.71 0.00 0.00 52.55 53.50 3i0u s ASP 101 Cb 0.00 -2.18 0.04 0.00 1.01 0.00 0.00 42.92 41.79 3i0u s ASP 101 CO 0.00 0.04 0.45 -1.59 0.21 0.00 0.00 175.17 174.28 3i0u s LYS 102 N 0.85 1.06 0.10 8.23 -2.85 -0.63 -1.65 119.74 124.85 3i0u s LYS 102 Ca 0.15 -0.51 0.09 0.00 -1.00 0.00 0.00 55.97 54.71 3i0u s LYS 102 Cb -0.14 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 3i0u s LYS 102 CO 0.05 -0.41 -0.24 -0.06 0.10 0.00 0.00 175.35 174.80 3i0u s PHE 103 N -3.25 2.04 0.15 1.78 0.08 -0.72 -1.20 117.98 116.86 3i0u s PHE 103 Ca -0.01 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.72 3i0u s PHE 103 Cb 0.00 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 3i0u s PHE 103 CO -0.08 0.25 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.23 3i0u s HIS 104 N -1.06 2.78 -0.12 0.36 3.76 -0.16 -0.23 115.29 120.62 3i0u s HIS 104 Ca 0.10 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 3i0u s HIS 104 Cb -0.10 -1.38 -0.00 0.00 1.11 0.00 0.00 32.58 32.21 3i0u s HIS 104 CO 0.05 0.49 -0.20 0.42 -0.85 0.00 0.00 174.74 174.64 3i0u s ILE 105 N -1.58 2.34 -0.22 0.60 1.01 -0.13 -1.40 121.20 121.82 3i0u s ILE 105 Ca 0.25 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 3i0u s ILE 105 Cb -0.10 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.45 3i0u s ILE 105 CO 0.17 0.55 -0.08 -0.44 0.00 0.00 0.00 174.94 175.13 3i0u s SER 106 N 0.45 4.02 0.14 3.58 0.01 -0.38 -2.05 113.70 119.47 3i0u s SER 106 Ca -0.14 -0.57 0.10 0.00 1.31 0.00 0.00 55.95 56.64 3i0u s SER 106 Cb -0.17 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 3i0u s SER 106 CO 0.06 -0.04 -0.24 -0.63 0.41 0.00 0.00 173.24 172.79 3i0u s ILE 107 N 1.40 2.14 0.39 1.44 -1.09 -1.26 -1.54 121.20 122.66 3i0u s ILE 107 Ca 0.04 -1.80 -0.26 0.00 -2.23 0.00 0.00 60.65 56.40 3i0u s ILE 107 Cb -0.15 -1.93 -0.11 0.00 -1.58 0.00 0.00 42.46 38.69 3i0u s ILE 107 CO -0.06 -0.03 1.23 0.00 -1.23 0.00 0.00 174.94 174.86 3i0u n ALA 108 N 0.73 1.08 -0.21 9.38 0.00 -0.02 -3.52 120.51 127.96 3i0u n ALA 108 Ca -0.16 0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.59 3i0u n ALA 108 Cb 0.54 -2.23 0.12 0.00 0.00 0.00 0.00 19.45 17.89 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 2.18 0.32 0.00 0.00 2.43 -1.81 -0.97 114.38 116.53 3i0u h ARG 109 Ca -0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3i0u h ARG 109 Cb 1.30 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3i0u h ARG 109 CO 0.60 0.21 0.00 0.39 -1.51 0.00 0.00 179.97 179.66 3i0u n GLU 110 N -5.07 0.10 -0.21 0.20 4.71 -1.26 -3.01 120.64 116.09 3i0u n GLU 110 Ca 0.10 0.18 0.10 0.00 -0.01 0.00 0.00 57.16 57.52 3i0u n GLU 110 Cb 0.32 -1.64 0.21 0.00 -1.01 0.00 0.00 31.44 29.32 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 -1.81 2.44 0.34 3.49 6.02 -0.38 -4.66 117.38 122.82 3i0u n GLN 111 Ca 0.05 -2.21 -0.17 0.00 -0.01 0.00 0.00 57.00 54.66 3i0u n GLN 111 Cb 0.31 -1.44 -0.09 0.00 1.02 0.00 0.00 30.24 30.04 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 3.62 0.38 -0.95 5.09 2.07 -1.43 -0.32 116.25 124.70 3i0u h VAL 112 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3i0u h VAL 112 Cb 0.87 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3i0u h VAL 112 CO 0.00 0.00 0.61 -0.65 0.02 0.00 0.00 177.57 177.55 3i0u h PRO 113 N -0.84 1.10 -0.23 1.57 0.11 -1.85 -0.88 132.00 130.97 3i0u h PRO 113 Ca -0.08 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.00 3i0u h PRO 113 Cb 0.65 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3i0u h PRO 113 CO 0.13 0.73 0.02 1.25 -0.21 0.00 0.00 178.00 179.91 3i0u h LEU 114 N 1.13 -0.05 -1.49 2.35 5.85 -1.85 -1.43 115.31 119.81 3i0u h LEU 114 Ca 0.41 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 3i0u h LEU 114 Cb 0.13 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3i0u h LEU 114 CO -0.16 0.00 0.03 0.00 -0.34 0.00 0.00 178.44 177.97 3i0u h ALA 115 N 1.19 1.59 -0.43 1.25 0.00 -0.58 -0.82 119.26 121.46 3i0u h ALA 115 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3i0u h ALA 115 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3i0u h ALA 115 CO -0.17 0.31 0.05 0.35 0.00 0.00 0.00 179.25 179.79 3i0u h PHE 116 N 0.35 0.77 -0.78 0.00 3.57 -0.64 -1.09 116.94 119.12 3i0u h PHE 116 Ca 0.08 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 3i0u h PHE 116 Cb 0.20 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3i0u h PHE 116 CO 0.00 0.75 0.28 0.37 -2.23 0.00 0.00 178.31 177.48 3i0u h GLN 117 N 0.57 1.18 -0.72 1.11 4.15 -0.14 0.28 115.11 121.54 3i0u h GLN 117 Ca 0.13 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 3i0u h GLN 117 Cb 0.40 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3i0u h GLN 117 CO 0.01 0.98 0.26 0.82 -1.93 0.00 0.00 178.83 178.97 3i0u h ILE 118 N 1.15 1.25 -0.00 2.39 2.04 -1.14 -3.19 117.51 120.00 3i0u h ILE 118 Ca 0.26 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3i0u h ILE 118 Cb 0.26 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3i0u h ILE 118 CO -0.02 0.33 -0.48 0.18 0.00 0.00 0.00 178.15 178.16 3i0u n LEU 119 N -4.28 0.68 -0.10 1.44 4.77 -0.42 -4.46 117.00 114.64 3i0u n LEU 119 Ca 0.06 -0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 3i0u n LEU 119 Cb 0.20 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3i0u n LEU 119 CO 0.41 0.15 0.82 0.77 -1.33 0.00 0.00 177.39 178.21 3i0u h SER 120 N 0.32 0.77 -0.31 -1.43 4.64 -0.45 -0.89 113.55 116.20 3i0u h SER 120 Ca 0.00 -0.22 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 3i0u h SER 120 Cb 0.51 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3i0u h SER 120 CO 0.00 0.88 0.21 1.23 -0.87 0.00 0.00 176.83 178.28 3i0u h GLY 121 N 0.97 0.23 0.00 -0.77 0.00 -1.78 0.42 103.07 102.15 3i0u h GLY 121 Ca 0.13 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 3i0u h GLY 121 CO 0.03 0.06 -0.47 1.41 0.00 0.00 0.00 176.54 177.57 3i0u h LEU 122 N 0.20 0.00 -2.09 3.11 3.38 -1.58 -1.77 115.31 116.55 3i0u h LEU 122 Ca 0.14 -0.65 0.10 0.00 0.09 0.00 0.00 57.88 57.55 3i0u h LEU 122 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i0u h LEU 122 CO -0.02 1.10 0.30 -0.07 0.09 0.00 0.00 178.44 179.84 3i0u h LEU 123 N -1.00 0.00 -2.98 1.67 3.38 -1.06 -1.67 115.31 113.65 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 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 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 -3.98 1.03 -2.50 1.13 3.72 0.12 -4.99 117.46 111.99 3i0u n PHE 124 Ca 0.05 -0.58 -0.38 0.00 -0.05 0.00 0.00 57.45 56.50 3i0u n PHE 124 Cb 0.47 -0.13 -0.04 0.00 -0.94 0.00 0.00 39.48 38.84 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 -1.06 6.85 0.31 4.37 0.15 -0.63 -4.67 113.70 119.01 3i0u s SER 125 Ca 0.42 2.12 0.26 0.00 0.70 0.00 0.00 55.95 59.45 3i0u s SER 125 Cb 0.26 -2.60 1.00 0.00 -1.71 0.00 0.00 66.02 62.96 3i0u s SER 125 CO 0.23 -0.43 1.77 1.05 1.20 0.00 0.00 173.24 177.05 3i0u h GLU 126 N 2.81 0.00 0.00 5.44 4.11 -1.90 -2.61 114.58 122.44 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 0.63 0.00 -0.51 -0.25 0.07 0.00 0.00 179.01 178.95 3i0u n ASP 127 N -2.43 0.51 -4.75 3.06 8.00 -1.26 -4.96 116.55 114.72 3i0u n ASP 127 Ca 0.02 -0.14 -0.41 0.00 0.71 0.00 0.00 54.79 54.98 3i0u n ASP 127 Cb 0.29 0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.60 3i0u n ASP 127 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3i0u n SER 128 N -1.62 3.28 -0.61 -2.24 2.88 -0.98 -4.90 113.62 109.42 3i0u n SER 128 Ca 0.05 1.18 0.05 0.00 -1.33 0.00 0.00 58.87 58.82 3i0u n SER 128 Cb 0.36 -1.57 0.14 0.00 -0.75 0.00 0.00 64.21 62.38 3i0u n SER 128 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i0u n PRO 129 N 0.23 1.79 -3.74 -1.46 -0.04 -1.26 -4.81 135.00 125.71 3i0u n PRO 129 Ca 0.04 -1.13 -0.38 0.00 -0.04 0.00 0.00 63.50 61.99 3i0u n PRO 129 Cb 0.39 -1.28 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.60 3.85 -0.28 0.52 -1.09 -1.26 -4.84 121.20 116.49 3i0u s ILE 130 Ca 0.21 -1.11 0.20 0.00 -2.23 0.00 0.00 60.65 57.71 3i0u s ILE 130 Cb 0.11 -3.18 0.14 0.00 -1.58 0.00 0.00 42.46 37.95 3i0u s ILE 130 CO 0.13 -0.19 1.36 0.44 -1.23 0.00 0.00 174.94 175.46 3i0u h ASP 131 N 8.24 0.00 -3.37 3.58 3.32 -1.88 -3.45 116.42 122.86 3i0u h ASP 131 Ca -0.23 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.41 3i0u h ASP 131 Cb 1.08 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.27 3i0u h ASP 131 CO 0.61 0.21 -0.77 -0.75 -1.72 0.00 0.00 179.24 176.83 3i0u s LYS 132 N -3.13 0.64 0.19 3.56 2.20 -1.26 -0.66 119.74 121.28 3i0u s LYS 132 Ca 0.04 0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.67 3i0u s LYS 132 Cb 0.07 -0.84 -0.04 0.00 -1.51 0.00 0.00 37.83 35.51 3i0u s LYS 132 CO 0.73 -0.19 0.10 1.67 -0.36 0.00 0.00 175.35 177.30 3i0u s TRP 133 N 1.42 1.17 0.10 4.03 1.48 -0.21 -1.53 118.94 125.40 3i0u s TRP 133 Ca -0.03 -1.29 -0.02 0.00 -1.06 0.00 0.00 56.10 53.69 3i0u s TRP 133 Cb -0.13 -0.61 -0.03 0.00 -1.16 0.00 0.00 33.47 31.53 3i0u s TRP 133 CO -0.03 -0.53 0.06 -1.59 -4.06 0.00 0.00 176.95 170.80 3i0u s LYS 134 N -4.10 0.83 -0.03 3.25 -2.85 -0.52 -0.00 119.74 116.31 3i0u s LYS 134 Ca 0.35 -1.30 -0.02 0.00 -1.00 0.00 0.00 55.97 54.00 3i0u s LYS 134 Cb 0.07 0.25 0.02 0.00 -2.06 0.00 0.00 37.83 36.11 3i0u s LYS 134 CO 0.10 -0.22 0.07 -1.50 0.10 0.00 0.00 175.35 173.90 3i0u s ILE 135 N -3.98 -0.03 0.22 3.79 2.07 -0.33 -1.68 121.20 121.27 3i0u s ILE 135 Ca 0.16 0.10 -0.31 0.00 -1.41 0.00 0.00 60.65 59.18 3i0u s ILE 135 Cb 0.07 -0.12 -0.14 0.00 0.13 0.00 0.00 42.46 42.40 3i0u s ILE 135 CO -0.04 0.04 1.33 0.41 -1.91 0.00 0.00 174.94 174.77 3i0u n THR 136 N 3.60 0.98 -2.94 4.00 -1.04 -0.04 -0.05 114.28 118.80 3i0u n THR 136 Ca -0.19 -0.24 -0.44 0.00 -2.04 0.00 0.00 64.05 61.13 3i0u n THR 136 Cb 0.55 -1.29 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 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 0.18 6.60 0.37 8.00 3.68 0.11 -4.82 116.67 130.79 3i0u s ASP 137 Ca 0.69 -2.00 0.01 0.00 2.13 0.00 0.00 52.55 53.37 3i0u s ASP 137 Cb -0.70 -2.39 0.03 0.00 -1.45 0.00 0.00 42.92 38.40 3i0u s ASP 137 CO 0.51 -1.07 0.80 0.24 0.13 0.00 0.00 175.17 175.78 3i0u h MET 138 N 8.85 0.00 0.00 4.34 2.86 -1.92 0.24 114.93 129.30 3i0u h MET 138 Ca 0.13 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.57 3i0u h MET 138 Cb 1.03 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 3i0u h MET 138 CO 1.10 0.00 -1.65 0.09 1.06 0.00 0.00 176.91 177.51 3i0u n ASN 139 N -1.85 0.66 0.11 1.22 3.02 -1.26 -4.26 115.26 112.90 3i0u n ASN 139 Ca -0.00 0.29 0.08 0.00 -0.03 0.00 0.00 54.58 54.93 3i0u n ASN 139 Cb 0.76 0.41 0.01 0.00 -0.61 0.00 0.00 39.78 40.36 3i0u n ASN 139 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3i0u h ARG 140 N 0.00 0.00 -7.37 3.52 -0.00 -0.88 -3.49 114.38 106.16 3i0u h ARG 140 Ca -0.23 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.75 3i0u h ARG 140 Cb 1.70 0.00 0.08 0.00 0.00 0.00 0.00 29.97 31.74 3i0u h ARG 140 CO 0.04 0.10 0.40 0.54 0.00 0.00 0.00 179.97 181.05 3i0u s VAL 141 N -3.21 4.26 -0.18 2.04 0.11 -1.15 -5.04 120.40 117.23 3i0u s VAL 141 Ca 0.01 0.73 -0.16 0.00 -2.93 0.00 0.00 61.98 59.63 3i0u s VAL 141 Cb 0.08 -3.63 -0.12 0.00 -1.53 0.00 0.00 36.38 31.18 3i0u s VAL 141 CO 0.77 -0.96 0.05 0.28 -3.33 0.00 0.00 175.10 171.91 3i0u h SER 142 N -0.53 0.00 -0.00 3.54 0.02 -1.95 -3.51 113.55 111.12 3i0u h SER 142 Ca -0.44 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 3i0u h SER 142 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3i0u h SER 142 CO 0.60 1.17 0.00 0.55 -1.14 0.00 0.00 176.83 178.02 3i0u n VAL 147 N -4.51 0.00 0.19 2.27 3.14 -1.26 -4.77 118.33 113.38 3i0u n VAL 147 Ca -0.21 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.24 3i0u n VAL 147 Cb 0.50 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.17 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 0.00 -0.60 0.14 7.55 0.00 -1.26 -4.44 105.19 106.58 3i0u n GLY 148 Ca 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 0.27 -2.54 -0.61 2.10 -1.89 -3.39 117.51 111.44 3i0u h ILE 149 Ca 0.00 -1.45 0.12 0.00 1.08 0.00 0.00 64.86 64.61 3i0u h ILE 149 Cb 0.59 1.89 -0.02 0.00 -1.09 0.00 0.00 36.82 38.19 3i0u h ILE 149 CO 0.00 0.15 0.51 0.61 -1.08 0.00 0.00 178.15 178.34 3i0u n GLY 150 N 1.22 0.71 4.05 8.18 0.00 -1.25 -1.89 105.19 116.21 3i0u n GLY 150 Ca -0.01 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.92 -1.38 0.38 4.61 0.00 -1.25 -4.52 120.51 117.44 3i0u n ALA 151 Ca -0.13 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.47 3i0u n ALA 151 Cb 0.54 -3.62 0.22 0.00 0.00 0.00 0.00 19.45 16.59 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 -1.79 0.00 -6.19 0.00 7.50 -1.63 -3.43 115.11 109.58 3i0u h GLN 152 Ca -0.59 0.00 -0.69 0.00 0.50 0.00 0.00 58.65 57.87 3i0u h GLN 152 Cb 1.38 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 28.63 3i0u h GLN 152 CO 0.71 0.00 -0.84 -0.06 -1.50 0.00 0.00 178.83 177.15 3i0u s PHE 153 N -3.19 2.53 -0.06 2.96 0.08 -1.11 -0.86 117.98 118.34 3i0u s PHE 153 Ca 0.07 -0.46 0.04 0.00 0.12 0.00 0.00 56.93 56.70 3i0u s PHE 153 Cb 0.09 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.93 3i0u s PHE 153 CO 0.67 -0.04 -0.18 0.99 -0.10 0.00 0.00 175.22 176.55 3i0u s THR 154 N -0.40 1.55 -0.25 0.64 2.01 -0.68 -0.96 115.64 117.56 3i0u s THR 154 Ca 0.04 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3i0u s THR 154 Cb -0.12 -1.34 0.04 0.00 0.01 0.00 0.00 72.50 71.09 3i0u s THR 154 CO 0.02 0.44 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.53 3i0u s LEU 155 N 0.15 3.18 -0.19 4.42 1.02 0.68 -1.45 118.68 126.50 3i0u s LEU 155 Ca -0.08 -1.12 -0.15 0.00 0.02 0.00 0.00 54.13 52.81 3i0u s LEU 155 Cb -0.13 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 3i0u s LEU 155 CO 0.04 -0.15 0.35 -0.31 0.02 0.00 0.00 176.35 176.30 3i0u s TYR 156 N 1.21 3.39 -0.21 0.29 2.02 -0.58 -1.76 117.35 121.70 3i0u s TYR 156 Ca -0.04 0.57 -0.16 0.00 -0.37 0.00 0.00 57.07 57.08 3i0u s TYR 156 Cb -0.18 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 3i0u s TYR 156 CO -0.06 0.06 0.40 0.08 -1.57 0.00 0.00 175.55 174.46 3i0u s VAL 157 N 1.08 5.19 0.22 0.71 1.01 -0.66 -4.30 120.40 123.65 3i0u s VAL 157 Ca 0.17 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.93 3i0u s VAL 157 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3i0u s VAL 157 CO 0.07 0.24 0.08 -1.59 0.00 0.00 0.00 175.10 173.90 3i0u s LYS 158 N 1.39 2.61 0.51 2.72 -2.85 -1.26 -4.24 119.74 118.62 3i0u s LYS 158 Ca 0.19 -1.13 -0.13 0.00 -1.00 0.00 0.00 55.97 53.90 3i0u s LYS 158 Cb -0.15 -2.42 -0.06 0.00 -2.06 0.00 0.00 37.83 33.14 3i0u s LYS 158 CO 0.08 0.42 0.92 -1.54 0.10 0.00 0.00 175.35 175.33 3i0u s SER 159 N -3.43 6.47 0.00 0.03 1.04 0.43 -4.88 113.70 113.36 3i0u s SER 159 Ca 0.31 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.10 3i0u s SER 159 Cb -0.08 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.61 3i0u s SER 159 CO 0.22 -0.61 0.39 -0.90 0.98 0.00 0.00 173.24 173.32 3i0u n ASP 160 N -1.85 0.72 -4.80 7.02 5.75 -1.12 -1.29 116.55 120.98 3i0u n ASP 160 Ca 0.05 -1.09 -0.32 0.00 -0.01 0.00 0.00 54.79 53.42 3i0u n ASP 160 Cb 0.54 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.09 2.22 0.78 0.11 -0.21 -0.90 -4.72 119.66 116.84 3i0u s GLN 161 Ca 0.00 -2.34 -0.11 0.00 0.02 0.00 0.00 55.36 52.93 3i0u s GLN 161 Cb 0.00 -1.64 0.06 0.00 1.00 0.00 0.00 33.01 32.43 3i0u s GLN 161 CO 0.00 -0.43 1.08 -1.21 -2.12 0.00 0.00 175.29 172.61 3i0u s GLU 162 N -3.97 2.20 -1.52 2.91 0.41 -1.26 -3.89 118.70 113.58 3i0u s GLU 162 Ca 0.10 0.98 -0.06 0.00 -0.41 0.00 0.00 54.97 55.58 3i0u s GLU 162 Cb 0.00 -1.90 0.01 0.00 -1.78 0.00 0.00 34.13 30.46 3i0u s GLU 162 CO 0.06 -1.63 0.72 0.00 -0.49 0.00 0.00 175.26 173.92 3i0u n SER 164 N -2.62 -3.18 -4.99 0.00 7.64 -1.25 -4.94 113.62 104.28 3i0u n SER 164 Ca -0.09 -0.47 -0.19 0.00 1.01 0.00 0.00 58.87 59.13 3i0u n SER 164 Cb 0.61 -2.65 0.02 0.00 -1.01 0.00 0.00 64.21 61.17 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 -6.15 2.76 -0.11 1.43 -0.21 -0.96 -4.79 119.66 111.62 3i0u s GLN 165 Ca 0.45 -0.96 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 3i0u s GLN 165 Cb -0.24 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.11 3i0u s GLN 165 CO 0.55 -0.42 -0.06 0.71 -2.12 0.00 0.00 175.29 173.95 3i0u s TYR 166 N -2.52 2.97 0.55 0.91 2.02 -1.26 -2.13 117.35 117.89 3i0u s TYR 166 Ca 0.54 -0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 56.91 3i0u s TYR 166 Cb -0.10 -1.84 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 3i0u s TYR 166 CO 0.35 0.12 1.00 -1.54 -1.57 0.00 0.00 175.55 173.92 3i0u s SER 167 N -0.17 6.43 0.50 2.29 1.04 -1.26 -4.95 113.70 117.58 3i0u s SER 167 Ca 0.03 1.55 0.15 0.00 0.48 0.00 0.00 55.95 58.15 3i0u s SER 167 Cb -0.13 -2.50 1.21 0.00 0.10 0.00 0.00 66.02 64.70 3i0u s SER 167 CO 0.03 -0.72 2.14 0.00 0.98 0.00 0.00 173.24 175.66 3i0u h ALA 168 N 0.53 1.96 -0.01 5.32 0.00 -1.98 -2.29 119.26 122.78 3i0u h ALA 168 Ca -0.46 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 3i0u h ALA 168 Cb 1.19 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3i0u h ALA 168 CO 0.61 0.04 -0.60 1.25 0.00 0.00 0.00 179.25 180.54 3i0u h LEU 169 N 0.08 0.56 0.20 0.00 6.46 -1.96 -0.11 115.31 120.54 3i0u h LEU 169 Ca 0.02 -0.74 0.01 0.00 -0.12 0.00 0.00 57.88 57.05 3i0u h LEU 169 Cb -0.00 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 3i0u h LEU 169 CO -0.00 1.23 -0.31 0.25 -0.62 0.00 0.00 178.44 178.98 3i0u h LEU 170 N -0.06 -0.88 -1.33 2.25 6.46 -1.91 0.49 115.31 120.34 3i0u h LEU 170 Ca -0.07 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 3i0u h LEU 170 Cb 1.31 0.32 -0.05 0.00 -0.73 0.00 0.00 40.66 41.51 3i0u h LEU 170 CO 0.12 -0.42 0.51 -0.07 -0.62 0.00 0.00 178.44 177.96 3i0u h LEU 171 N -0.58 0.70 0.29 2.25 3.38 -1.38 0.21 115.31 120.18 3i0u h LEU 171 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i0u h LEU 171 Cb 0.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3i0u h LEU 171 CO -0.14 0.44 -0.14 -0.74 0.09 0.00 0.00 178.44 177.96 3i0u h HIS 172 N 0.79 -0.36 -0.53 1.13 2.76 -0.46 -1.49 115.15 116.99 3i0u h HIS 172 Ca 0.34 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.61 3i0u h HIS 172 Cb 0.31 0.12 -0.10 0.00 1.55 0.00 0.00 27.41 29.29 3i0u h HIS 172 CO -0.00 -0.07 -0.07 0.87 -1.30 0.00 0.00 177.93 177.35 3i0u h LYS 173 N -0.62 0.05 -0.60 5.26 1.57 0.12 -0.29 116.57 122.06 3i0u h LYS 173 Ca -0.04 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3i0u h LYS 173 Cb 0.44 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3i0u h LYS 173 CO 0.06 0.03 0.40 0.82 -0.57 0.00 0.00 179.45 180.20 3i0u h ILE 174 N 0.05 1.16 -0.23 1.86 2.04 -0.62 -0.36 117.51 121.41 3i0u h ILE 174 Ca 0.26 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3i0u h ILE 174 Cb 0.41 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3i0u h ILE 174 CO -0.50 0.15 0.01 0.03 0.00 0.00 0.00 178.15 177.84 3i0u h ARG 175 N 0.82 0.09 -0.82 2.37 3.08 -0.06 -1.95 114.38 117.91 3i0u h ARG 175 Ca 0.22 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3i0u h ARG 175 Cb -0.10 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3i0u h ARG 175 CO -0.05 0.06 0.45 1.96 -1.07 0.00 0.00 179.97 181.32 3i0u h GLN 176 N 0.09 1.14 -0.22 0.04 1.08 -0.87 -2.57 115.11 113.81 3i0u h GLN 176 Ca 0.11 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 3i0u h GLN 176 Cb 0.13 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3i0u h GLN 176 CO -0.17 0.83 -0.03 0.35 -0.95 0.00 0.00 178.83 178.86 3i0u h PHE 177 N 1.15 0.45 -0.25 2.96 3.57 -0.68 -2.15 116.94 121.99 3i0u h PHE 177 Ca 0.29 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3i0u h PHE 177 Cb 0.02 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3i0u h PHE 177 CO 0.01 0.62 0.15 0.82 -2.23 0.00 0.00 178.31 177.68 3i0u h ILE 178 N 0.15 1.04 -0.98 1.41 1.08 -1.22 0.88 117.51 119.87 3i0u h ILE 178 Ca 0.06 -0.11 0.18 0.00 -0.39 0.00 0.00 64.86 64.60 3i0u h ILE 178 Cb 0.45 0.70 -0.09 0.00 -3.07 0.00 0.00 36.82 34.81 3i0u h ILE 178 CO 0.02 0.06 0.61 0.24 -0.69 0.00 0.00 178.15 178.39 3i0u h MET 179 N 0.31 0.70 0.20 2.37 2.86 -1.38 0.11 114.93 120.11 3i0u h MET 179 Ca 0.10 -0.04 -0.29 0.00 -2.06 0.00 0.00 59.70 57.40 3i0u h MET 179 Cb -0.02 -0.16 0.03 0.00 0.06 0.00 0.00 31.60 31.52 3i0u h MET 179 CO -0.04 0.46 -1.27 0.00 1.06 0.00 0.00 176.91 177.12 3i0u h LEU 181 N 0.04 -1.04 -0.60 0.00 3.38 -0.49 -1.94 115.31 114.66 3i0u h LEU 181 Ca -0.22 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.00 3i0u h LEU 181 Cb 1.99 0.41 -0.12 0.00 0.09 0.00 0.00 40.66 43.03 3i0u h LEU 181 CO 0.24 -0.42 -0.26 -0.33 0.09 0.00 0.00 178.44 177.76 3i0u h GLU 182 N -0.53 -0.10 -0.77 1.13 4.39 -0.75 -1.95 114.58 116.01 3i0u h GLU 182 Ca 0.05 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3i0u h GLU 182 Cb 0.60 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 3i0u h GLU 182 CO -0.26 -0.07 0.30 1.03 -1.16 0.00 0.00 179.01 178.86 3i0u h SER 183 N -0.10 1.05 -0.03 1.42 0.87 -1.13 -0.42 113.55 115.21 3i0u h SER 183 Ca 0.26 -0.16 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 3i0u h SER 183 Cb 0.52 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3i0u h SER 183 CO -0.67 0.93 -0.64 0.78 -0.53 0.00 0.00 176.83 176.71 3i0u h ASN 184 N 1.11 0.74 -0.24 6.23 4.21 -0.68 -2.32 115.58 124.64 3i0u h ASN 184 Ca 0.26 -0.43 -0.07 0.00 1.21 0.00 0.00 56.30 57.27 3i0u h ASN 184 Cb 0.21 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 3i0u h ASN 184 CO -0.02 1.19 -0.11 -0.07 -1.29 0.00 0.00 177.43 177.14 3i0u h LEU 185 N 0.47 0.51 -1.15 1.61 4.07 -1.08 -2.85 115.31 116.90 3i0u h LEU 185 Ca -0.01 -0.40 -0.04 0.00 0.08 0.00 0.00 57.88 57.50 3i0u h LEU 185 Cb 1.23 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 3i0u h LEU 185 CO 0.13 0.80 0.11 0.25 -1.08 0.00 0.00 178.44 178.65 3i0u h LEU 186 N 0.23 0.65 0.00 1.67 5.85 -1.07 -2.23 115.31 120.41 3i0u h LEU 186 Ca 0.06 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3i0u h LEU 186 Cb 0.60 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3i0u h LEU 186 CO 0.03 0.65 -0.52 0.54 -0.34 0.00 0.00 178.44 178.81 3i0u n ARG 187 N -4.30 0.29 -0.21 1.25 1.74 -0.88 -1.26 116.66 113.30 3i0u n ARG 187 Ca 0.03 0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.30 3i0u n ARG 187 Cb 0.21 -1.71 0.21 0.00 -1.02 0.00 0.00 32.46 30.15 3i0u n ARG 187 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3i0u n SER 188 N -2.15 2.32 -3.86 0.55 7.64 -1.08 -4.95 113.62 112.09 3i0u n SER 188 Ca 0.04 -1.97 -0.29 0.00 1.01 0.00 0.00 58.87 57.65 3i0u n SER 188 Cb 0.44 -0.28 0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.76 -5.97 -2.24 1.43 5.02 -0.39 -4.96 118.16 111.80 3i0u n LYS 189 Ca 0.15 0.64 -0.41 0.00 -2.02 0.00 0.00 58.31 56.67 3i0u n LYS 189 Cb 0.37 -5.56 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.31 3.14 -0.00 -0.18 -1.09 -0.87 -5.01 121.20 113.88 3i0u s ILE 190 Ca 0.64 1.03 -0.30 0.00 -2.23 0.00 0.00 60.65 59.79 3i0u s ILE 190 Cb -0.32 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3i0u s ILE 190 CO 0.81 0.19 1.01 0.00 -1.23 0.00 0.00 174.94 175.73 3i0u s ALA 191 N -0.45 3.22 0.60 9.38 0.00 -1.26 -4.82 121.76 128.43 3i0u s ALA 191 Ca 0.52 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 3i0u s ALA 191 Cb -0.36 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3i0u s ALA 191 CO 0.43 -0.30 1.20 -1.25 0.00 0.00 0.00 175.76 175.84 3i0u s PRO 192 N 1.13 2.93 0.00 0.00 0.04 -1.26 -0.84 135.00 137.00 3i0u s PRO 192 Ca 0.53 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3i0u s PRO 192 Cb -0.22 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3i0u s PRO 192 CO 0.27 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.49 3i0u n GLY 193 N 0.47 2.69 3.48 0.56 0.00 -0.59 -3.45 105.19 108.34 3i0u n GLY 193 Ca 0.14 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 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 3.25 3.54 0.49 1.61 2.12 -0.79 -4.79 118.70 124.13 3i0u s GLU 194 Ca 0.00 -0.58 -0.21 0.00 0.36 0.00 0.00 54.97 54.53 3i0u s GLU 194 Cb 0.00 -3.57 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 3i0u s GLU 194 CO 0.00 -0.33 1.10 0.71 -0.54 0.00 0.00 175.26 176.21 3i0u s TYR 195 N 1.66 2.89 0.29 5.30 2.02 -1.26 -3.94 117.35 124.31 3i0u s TYR 195 Ca 0.06 1.56 -0.29 0.00 -0.37 0.00 0.00 57.07 58.03 3i0u s TYR 195 Cb -0.16 -3.23 -0.10 0.00 -0.40 0.00 0.00 41.96 38.06 3i0u s TYR 195 CO 0.07 -1.23 1.26 -2.14 -1.57 0.00 0.00 175.55 171.94 3i0u s PRO 196 N -3.00 4.43 0.47 -1.71 0.02 -1.26 -4.90 135.00 129.05 3i0u s PRO 196 Ca 0.67 2.08 0.24 0.00 0.02 0.00 0.00 61.00 64.01 3i0u s PRO 196 Cb -0.23 -3.12 1.26 0.00 0.02 0.00 0.00 34.50 32.43 3i0u s PRO 196 CO 0.27 -0.10 1.85 0.00 -0.33 0.00 0.00 177.00 178.69 3i0u h ALA 197 N 3.87 2.51 0.00 -1.55 0.00 -2.03 -0.53 119.26 121.53 3i0u h ALA 197 Ca -0.48 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3i0u h ALA 197 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i0u h ALA 197 CO 0.68 -0.81 -0.05 0.66 0.00 0.00 0.00 179.25 179.73 3i0u h SER 198 N 0.23 0.00 -3.87 0.00 4.64 -1.97 -3.45 113.55 109.13 3i0u h SER 198 Ca 0.49 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.31 3i0u h SER 198 Cb 1.51 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.64 3i0u h SER 198 CO -0.13 0.05 0.22 -1.81 -0.87 0.00 0.00 176.83 174.30 3i0u s ASP 199 N -7.03 6.34 0.14 4.97 1.11 -0.21 -4.89 116.67 117.10 3i0u s ASP 199 Ca -0.05 1.16 0.10 0.00 0.18 0.00 0.00 52.55 53.94 3i0u s ASP 199 Cb 0.17 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 3i0u s ASP 199 CO 0.68 -0.63 -0.20 0.68 1.18 0.00 0.00 175.17 176.88 3i0u s VAL 200 N -2.78 2.68 -0.05 -1.27 -7.23 0.21 -4.89 120.40 107.07 3i0u s VAL 200 Ca 0.51 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 3i0u s VAL 200 Cb -0.10 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.64 3i0u s VAL 200 CO 0.44 0.03 0.52 0.00 -0.31 0.00 0.00 175.10 175.78 3i0u s ARG 201 N -2.30 0.86 0.81 4.82 1.70 -1.26 0.28 118.95 123.85 3i0u s ARG 201 Ca 0.18 0.12 -0.12 0.00 -0.47 0.00 0.00 55.73 55.44 3i0u s ARG 201 Cb -0.10 0.40 0.08 0.00 -0.57 0.00 0.00 34.95 34.76 3i0u s ARG 201 CO 0.10 -0.25 1.13 -1.25 -1.08 0.00 0.00 175.30 173.95 3i0u s PRO 202 N -1.12 2.01 0.44 3.89 0.04 -1.26 -4.96 135.00 134.04 3i0u s PRO 202 Ca -0.11 0.35 0.23 0.00 0.04 0.00 0.00 61.00 61.51 3i0u s PRO 202 Cb -0.02 -1.93 0.99 0.00 0.04 0.00 0.00 34.50 33.57 3i0u s PRO 202 CO 0.07 -1.61 1.86 1.49 0.04 0.00 0.00 177.00 178.86 3i0u h GLU 203 N -1.07 0.00 -0.00 4.56 4.57 -2.01 -2.16 114.58 118.47 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 0.23 0.00 -0.40 -1.18 0.00 0.00 179.01 178.30 3i0u n ASP 204 N -3.49 0.06 -4.66 1.04 5.68 -1.26 -4.61 116.55 109.31 3i0u n ASP 204 Ca -0.00 -1.15 -0.37 0.00 -0.50 0.00 0.00 54.79 52.77 3i0u n ASP 204 Cb 0.40 -0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.29 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 -2.00 3.32 -0.05 2.11 0.51 -0.81 -4.95 118.94 117.07 3i0u s TRP 205 Ca 0.41 0.32 0.20 0.00 -2.12 0.00 0.00 56.10 54.92 3i0u s TRP 205 Cb 0.19 -2.35 -0.31 0.00 -0.81 0.00 0.00 33.47 30.19 3i0u s TRP 205 CO 0.32 0.03 0.39 1.63 -0.51 0.00 0.00 176.95 178.81 3i0u n LYS 206 N 4.41 0.66 0.00 4.98 5.02 -1.26 -4.72 118.16 127.24 3i0u n LYS 206 Ca -0.13 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 3i0u n LYS 206 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.30 0.00 -3.18 2.13 4.01 -1.26 -4.74 117.16 111.82 3i0u n TYR 207 Ca -0.08 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.29 3i0u n TYR 207 Cb 0.64 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.61 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 -1.79 4.65 0.07 -0.72 1.01 -1.26 -1.25 120.40 121.11 3i0u s VAL 208 Ca 0.00 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.11 3i0u s VAL 208 Cb 0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3i0u s VAL 208 CO 0.00 0.27 0.09 -0.94 0.00 0.00 0.00 175.10 174.52 3i0u s SER 209 N -1.59 0.27 0.02 3.32 1.04 -0.49 -4.84 113.70 111.45 3i0u s SER 209 Ca 0.40 -0.79 0.08 0.00 0.48 0.00 0.00 55.95 56.12 3i0u s SER 209 Cb -0.17 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 3i0u s SER 209 CO 0.21 -0.66 -0.21 -0.47 0.98 0.00 0.00 173.24 173.08 3i0u s TYR 210 N -3.81 2.47 -0.02 5.02 5.04 0.14 -0.99 117.35 125.20 3i0u s TYR 210 Ca 0.05 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.35 3i0u s TYR 210 Cb 0.06 -1.46 0.01 0.00 0.35 0.00 0.00 41.96 40.91 3i0u s TYR 210 CO -0.10 0.17 0.05 0.50 -1.34 0.00 0.00 175.55 174.83 3i0u s ARG 211 N -1.19 0.05 -0.31 4.97 3.52 -0.34 -0.62 118.95 125.04 3i0u s ARG 211 Ca 0.13 0.09 -0.10 0.00 -0.13 0.00 0.00 55.73 55.71 3i0u s ARG 211 Cb -0.10 0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.28 3i0u s ARG 211 CO 0.03 -0.02 0.16 1.21 -0.81 0.00 0.00 175.30 175.87 3i0u s ASN 212 N 0.11 5.60 0.20 -2.12 3.84 -1.26 -1.60 114.94 119.71 3i0u s ASN 212 Ca -0.01 -0.46 -0.11 0.00 0.21 0.00 0.00 52.86 52.50 3i0u s ASN 212 Cb -0.01 -2.02 0.25 0.00 -0.55 0.00 0.00 41.25 38.92 3i0u s ASN 212 CO -0.00 -0.18 1.72 -0.33 -2.79 0.00 0.00 177.10 175.52 3i0u h GLU 213 N 8.36 0.28 -0.84 0.43 5.08 -1.75 -2.97 114.58 123.17 3i0u h GLU 213 Ca -0.33 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3i0u h GLU 213 Cb 1.15 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 3i0u h GLU 213 CO 0.61 0.19 0.49 -0.07 -1.00 0.00 0.00 179.01 179.22 3i0u h LEU 214 N 0.29 0.70 -8.69 1.33 3.38 -1.90 -3.37 115.31 107.05 3i0u h LEU 214 Ca 0.29 0.05 -0.56 0.00 0.09 0.00 0.00 57.88 57.75 3i0u h LEU 214 Cb 0.39 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3i0u h LEU 214 CO -0.34 0.39 0.98 -0.13 0.09 0.00 0.00 178.44 179.43 3i0u s ARG 215 N -6.02 3.61 0.46 1.13 0.52 -1.12 -5.22 118.95 112.31 3i0u s ARG 215 Ca -0.12 0.54 0.29 0.00 -0.52 0.00 0.00 55.73 55.92 3i0u s ARG 215 Cb 0.20 -3.97 1.37 0.00 0.52 0.00 0.00 34.95 33.07 3i0u s ARG 215 CO 0.78 -1.54 1.70 0.77 0.02 0.00 0.00 175.30 177.04 3i0u h SER 216 N 9.71 0.24 0.00 0.23 0.02 -1.83 -3.45 113.55 118.47 3i0u h SER 216 Ca -0.25 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3i0u h SER 216 Cb 1.07 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3i0u h SER 216 CO 1.14 -0.04 0.00 1.15 -1.14 0.00 0.00 176.83 177.94 3i0u n MET 227 N -4.50 -1.80 0.14 3.45 -0.00 -1.26 -5.17 117.12 107.99 3i0u n MET 227 Ca 0.32 0.28 0.03 0.00 -0.00 0.00 0.00 57.70 58.32 3i0u n MET 227 Cb 1.26 -3.94 0.07 0.00 -0.00 0.00 0.00 33.22 30.61 3i0u n MET 227 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3i0u h LEU 228 N 0.00 0.00 -0.50 3.17 -0.00 -1.98 -3.11 115.31 112.89 3i0u h LEU 228 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3i0u h LEU 228 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3i0u h LEU 228 CO 0.00 0.51 0.00 0.54 -0.00 0.00 0.00 178.44 179.49 3i0u n ARG 229 N -3.28 0.12 0.16 1.13 1.74 -1.26 -2.83 116.66 112.44 3i0u n ARG 229 Ca 0.01 0.39 0.11 0.00 -0.77 0.00 0.00 57.85 57.59 3i0u n ARG 229 Cb 0.71 -1.75 0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3i0u n ARG 229 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3i0u h GLU 230 N 0.00 0.00 -6.03 5.56 5.08 -1.98 -3.41 114.58 113.80 3i0u h GLU 230 Ca 0.00 0.00 -0.85 0.00 -1.00 0.00 0.00 59.36 57.51 3i0u h GLU 230 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 3i0u h GLU 230 CO 0.00 0.02 0.78 0.39 -1.00 0.00 0.00 179.01 179.20 3i0u n GLU 231 N -2.90 0.22 -0.28 2.33 -0.58 -1.13 -4.79 120.64 113.51 3i0u n GLU 231 Ca 0.02 0.08 -0.07 0.00 -0.42 0.00 0.00 57.16 56.76 3i0u n GLU 231 Cb 0.55 -1.62 -0.07 0.00 -0.57 0.00 0.00 31.44 29.74 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 4.54 -0.29 -0.30 3.49 -0.02 -1.26 -1.09 135.00 140.06 3i0u n PRO 232 Ca 0.32 1.27 0.07 0.00 -2.02 0.00 0.00 63.50 63.14 3i0u n PRO 232 Cb -0.02 -1.88 0.17 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.23 -0.49 6.00 3.57 -1.99 -1.80 116.94 122.00 3i0u h PHE 233 Ca 0.11 0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 3i0u h PHE 233 Cb 0.27 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3i0u h PHE 233 CO -0.94 -0.35 -0.12 -0.92 -2.23 0.00 0.00 178.31 173.76 3i0u h TYR 234 N 0.03 1.07 -0.61 0.41 3.20 -1.46 -2.68 116.97 116.93 3i0u h TYR 234 Ca 0.46 -0.23 0.06 0.00 3.14 0.00 0.00 58.73 62.16 3i0u h TYR 234 Cb 0.81 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 3i0u h TYR 234 CO -0.56 1.02 0.33 0.00 -1.64 0.00 0.00 178.16 177.31 3i0u h ARG 235 N 0.81 0.60 0.00 1.82 3.08 -0.48 -0.31 114.38 119.89 3i0u h ARG 235 Ca 0.12 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i0u h ARG 235 Cb 0.68 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3i0u h ARG 235 CO 0.05 0.39 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.26 3i0u h LEU 236 N 0.61 0.00 0.00 3.04 3.38 -1.05 -1.99 115.31 119.30 3i0u h LEU 236 Ca 0.28 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.99 3i0u h LEU 236 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i0u h LEU 236 CO -0.18 0.02 -1.12 0.24 0.09 0.00 0.00 178.44 177.49 3i0u h MET 237 N 0.00 0.28 0.00 1.13 2.86 -0.74 -3.40 114.93 115.05 3i0u h MET 237 Ca -0.00 -0.40 -0.12 0.00 -2.06 0.00 0.00 59.70 57.12 3i0u h MET 237 Cb 0.21 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3i0u h MET 237 CO 0.00 1.15 -1.49 0.44 1.06 0.00 0.00 176.91 178.08 3i0u n ILE 238 N -3.59 0.45 1.96 -1.22 -5.35 -1.10 -4.93 119.36 105.59 3i0u n ILE 238 Ca -0.07 -0.30 0.16 0.00 -0.27 0.00 0.00 62.75 62.27 3i0u n ILE 238 Cb 0.95 -0.70 0.92 0.00 -1.74 0.00 0.00 39.64 39.07 3i0u n ILE 238 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17