#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1d s ARG 67 N 0.00 4.63 -0.06 3.49 6.06 -1.26 -0.89 118.95 130.92 1t1d s ARG 67 Ca 0.00 1.32 0.04 0.00 -2.50 0.00 0.00 55.73 54.59 1t1d s ARG 67 Cb 0.00 -3.37 -0.02 0.00 0.06 0.00 0.00 34.95 31.62 1t1d s ARG 67 CO 0.00 0.25 -0.17 0.08 -2.50 0.00 0.00 175.30 172.96 1t1d s VAL 68 N -0.07 2.79 -0.21 7.11 1.01 0.40 -4.91 120.40 126.53 1t1d s VAL 68 Ca 0.44 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1t1d s VAL 68 Cb -0.22 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1t1d s VAL 68 CO 0.28 0.57 -0.05 -0.69 0.00 0.00 0.00 175.10 175.21 1t1d s VAL 69 N -0.41 3.41 -0.31 2.92 1.01 -1.26 -1.83 120.40 123.93 1t1d s VAL 69 Ca 0.04 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1t1d s VAL 69 Cb -0.12 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1t1d s VAL 69 CO 0.02 0.44 0.06 -0.63 0.00 0.00 0.00 175.10 174.98 1t1d s ILE 70 N 1.29 3.58 -0.45 2.22 1.01 0.19 -0.99 121.20 128.05 1t1d s ILE 70 Ca 0.03 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.49 1t1d s ILE 70 Cb -0.14 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.42 1t1d s ILE 70 CO -0.02 -0.04 0.42 0.21 0.00 0.00 0.00 174.94 175.51 1t1d s ASN 71 N 1.39 6.16 -0.58 3.58 2.47 0.94 -0.32 114.94 128.58 1t1d s ASN 71 Ca -0.01 -0.99 -0.14 0.00 0.42 0.00 0.00 52.86 52.14 1t1d s ASN 71 Cb -0.18 -2.20 0.15 0.00 -1.45 0.00 0.00 41.25 37.56 1t1d s ASN 71 CO 0.01 -0.62 0.52 -0.69 -3.72 0.00 0.00 177.10 172.60 1t1d s VAL 72 N 1.93 5.04 -1.46 -5.21 1.01 -0.09 -1.22 120.40 120.39 1t1d s VAL 72 Ca 0.08 -1.79 -0.09 0.00 0.00 0.00 0.00 61.98 60.18 1t1d s VAL 72 Cb -0.20 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.00 1t1d s VAL 72 CO 0.10 -0.88 0.79 -1.20 0.00 0.00 0.00 175.10 173.90 1t1d n SER 73 N 4.88 -5.22 0.00 3.32 7.64 -0.20 -0.78 113.62 123.26 1t1d n SER 73 Ca -0.07 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1t1d n SER 73 Cb 0.41 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 1t1d n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t1d n GLY 74 N -1.57 1.76 3.56 0.23 0.00 -1.26 -5.03 105.19 102.88 1t1d n GLY 74 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1t1d n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t1d s LEU 75 N 0.00 4.31 -0.16 0.99 2.96 0.04 -5.04 118.68 121.77 1t1d s LEU 75 Ca 0.00 0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 53.80 1t1d s LEU 75 Cb 0.00 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1t1d s LEU 75 CO 0.00 -0.54 0.42 -0.13 -1.32 0.00 0.00 176.35 174.78 1t1d s ARG 76 N 2.55 4.27 0.06 1.98 0.52 -1.26 -0.92 118.95 126.15 1t1d s ARG 76 Ca 0.22 0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.79 1t1d s ARG 76 Cb -0.15 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1t1d s ARG 76 CO 0.14 0.10 -0.11 -0.06 0.02 0.00 0.00 175.30 175.39 1t1d s PHE 77 N 0.85 2.73 0.01 -0.53 0.40 0.56 -4.96 117.98 117.05 1t1d s PHE 77 Ca 0.22 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.45 1t1d s PHE 77 Cb -0.15 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 1t1d s PHE 77 CO 0.08 0.37 -0.15 -1.21 0.70 0.00 0.00 175.22 175.01 1t1d s GLU 78 N -1.79 1.15 0.36 0.44 2.02 -1.26 -0.64 118.70 118.98 1t1d s GLU 78 Ca 0.18 -0.62 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 1t1d s GLU 78 Cb -0.11 -1.13 0.04 0.00 0.10 0.00 0.00 34.13 33.02 1t1d s GLU 78 CO 0.10 0.30 0.64 -2.37 0.02 0.00 0.00 175.26 173.95 1t1d n THR 79 N 2.43 0.00 -3.80 3.63 5.66 -0.76 -4.99 114.28 116.44 1t1d n THR 79 Ca -0.15 -1.25 -0.31 0.00 -3.05 0.00 0.00 64.05 59.29 1t1d n THR 79 Cb 0.55 0.99 -0.04 0.00 -1.55 0.00 0.00 70.33 70.28 1t1d n THR 79 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1t1d s GLN 80 N -2.36 3.52 0.27 1.09 -1.52 -1.26 -0.45 119.66 118.95 1t1d s GLN 80 Ca 0.20 -0.30 -0.02 0.00 -1.95 0.00 0.00 55.36 53.30 1t1d s GLN 80 Cb -0.03 -2.94 0.43 0.00 -0.22 0.00 0.00 33.01 30.25 1t1d s GLN 80 CO 0.15 0.53 1.87 1.25 -0.25 0.00 0.00 175.29 178.84 1t1d h LEU 81 N 2.84 1.01 -1.49 2.90 5.85 -1.37 -0.89 115.31 124.16 1t1d h LEU 81 Ca -0.46 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.35 1t1d h LEU 81 Cb 1.17 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1t1d h LEU 81 CO 0.74 0.62 0.44 0.11 -0.34 0.00 0.00 178.44 180.00 1t1d h LYS 82 N 1.13 0.59 -0.64 1.25 1.57 -1.95 0.64 116.57 119.16 1t1d h LYS 82 Ca 0.44 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1t1d h LYS 82 Cb 0.23 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1t1d h LYS 82 CO -0.19 0.39 0.26 1.15 -0.57 0.00 0.00 179.45 180.49 1t1d h THR 83 N 0.61 1.23 -0.10 -0.16 2.02 -1.55 -2.94 112.91 112.02 1t1d h THR 83 Ca 0.29 -0.72 -0.23 0.00 0.77 0.00 0.00 66.41 66.52 1t1d h THR 83 Cb 0.35 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1t1d h THR 83 CO -0.09 0.28 -0.85 -0.07 0.37 0.00 0.00 175.52 175.17 1t1d h LEU 84 N 0.90 0.88 -0.71 2.58 3.38 -1.12 -3.30 115.31 117.92 1t1d h LEU 84 Ca 0.21 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1t1d h LEU 84 Cb 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1t1d h LEU 84 CO -0.02 1.41 0.00 0.59 0.09 0.00 0.00 178.44 180.51 1t1d n ASN 85 N -3.90 0.50 0.29 -0.43 3.02 0.10 -2.45 115.26 112.38 1t1d n ASN 85 Ca -0.08 0.65 0.18 0.00 -0.03 0.00 0.00 54.58 55.30 1t1d n ASN 85 Cb 0.78 -0.75 0.77 0.00 -0.61 0.00 0.00 39.78 39.97 1t1d n ASN 85 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 1t1d h GLN 86 N 0.00 0.00 -3.24 3.52 3.07 -1.60 -3.24 115.11 113.62 1t1d h GLN 86 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 58.65 58.07 1t1d h GLN 86 Cb 0.24 0.00 -0.38 0.00 0.08 0.00 0.00 27.48 27.42 1t1d h GLN 86 CO 0.00 0.00 -0.34 -0.06 0.09 0.00 0.00 178.83 178.53 1t1d s PHE 87 N -3.74 3.70 0.12 0.06 0.08 -1.03 -4.95 117.98 112.22 1t1d s PHE 87 Ca 0.00 -3.15 0.33 0.00 0.12 0.00 0.00 56.93 54.24 1t1d s PHE 87 Cb 0.10 -3.00 1.37 0.00 -0.57 0.00 0.00 43.02 40.92 1t1d s PHE 87 CO 0.52 -0.66 1.99 -1.00 -0.10 0.00 0.00 175.22 175.97 1t1d h PRO 88 N 5.84 0.00 -1.40 0.24 0.13 -1.74 -3.12 132.00 131.95 1t1d h PRO 88 Ca 0.13 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.69 1t1d h PRO 88 Cb 0.80 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.70 1t1d h PRO 88 CO 0.78 0.02 0.72 -0.25 -0.23 0.00 0.00 178.00 179.04 1t1d n ASP 89 N -3.12 7.21 -4.34 1.44 8.00 -1.26 -3.80 116.55 120.69 1t1d n ASP 89 Ca 0.00 -3.53 -0.17 0.00 0.71 0.00 0.00 54.79 51.80 1t1d n ASP 89 Cb 0.31 -1.04 -0.10 0.00 -0.02 0.00 0.00 41.12 40.26 1t1d n ASP 89 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1t1d s THR 90 N -3.88 0.83 0.07 -3.53 -4.23 -1.18 -4.66 115.64 99.06 1t1d s THR 90 Ca 0.53 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.74 1t1d s THR 90 Cb 0.41 -2.53 -0.18 0.00 1.34 0.00 0.00 72.50 71.55 1t1d s THR 90 CO -0.09 -0.14 1.59 0.25 -0.54 0.00 0.00 174.62 175.69 1t1d h LEU 91 N 2.39 -0.52 -0.91 4.79 6.46 -1.55 -2.49 115.31 123.48 1t1d h LEU 91 Ca -0.39 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 1t1d h LEU 91 Cb 1.23 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1t1d h LEU 91 CO 0.64 -0.33 0.00 -0.07 -0.62 0.00 0.00 178.44 178.06 1t1d h LEU 92 N -0.66 0.00 -0.35 2.25 3.38 -1.91 -2.70 115.31 115.32 1t1d h LEU 92 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1t1d h LEU 92 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1t1d h LEU 92 CO 0.10 0.00 -0.30 0.61 0.09 0.00 0.00 178.44 178.94 1t1d n GLY 93 N 0.31 -0.80 3.23 0.83 0.00 -1.17 -4.71 105.19 102.88 1t1d n GLY 93 Ca 0.02 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1t1d n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1t1d s ASN 94 N -2.62 5.02 0.29 1.61 3.84 -0.95 -4.31 114.94 117.82 1t1d s ASN 94 Ca 0.21 -1.13 0.04 0.00 0.21 0.00 0.00 52.86 52.19 1t1d s ASN 94 Cb 0.19 -1.78 0.72 0.00 -0.55 0.00 0.00 41.25 39.82 1t1d s ASN 94 CO 0.56 -0.27 1.71 1.55 -2.79 0.00 0.00 177.10 177.86 1t1d h PRO 95 N 8.10 0.44 -0.61 0.43 0.13 -1.85 0.15 132.00 138.79 1t1d h PRO 95 Ca -0.24 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1t1d h PRO 95 Cb 1.08 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 1t1d h PRO 95 CO 0.57 0.29 0.39 1.96 -0.23 0.00 0.00 178.00 180.98 1t1d h GLN 96 N 0.46 0.81 0.06 0.86 7.50 -1.94 -0.06 115.11 122.80 1t1d h GLN 96 Ca 0.55 -0.06 -0.18 0.00 0.50 0.00 0.00 58.65 59.47 1t1d h GLN 96 Cb 1.02 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 1t1d h GLN 96 CO -0.50 0.56 -0.93 0.87 -1.50 0.00 0.00 178.83 177.33 1t1d h LYS 97 N 0.84 0.12 -0.22 1.46 1.57 -1.50 -3.37 116.57 115.47 1t1d h LYS 97 Ca 0.22 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1t1d h LYS 97 Cb -0.07 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1t1d h LYS 97 CO -0.05 1.10 -0.08 0.07 -0.57 0.00 0.00 179.45 179.93 1t1d h ARG 98 N -0.67 0.34 0.00 3.15 0.11 -0.57 -2.47 114.38 114.26 1t1d h ARG 98 Ca -0.22 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1t1d h ARG 98 Cb 1.43 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.46 1t1d h ARG 98 CO -0.01 0.43 0.00 0.09 0.10 0.00 0.00 179.97 180.58 1t1d n ASN 99 N -4.28 0.57 0.29 0.08 3.02 -0.05 -0.97 115.26 113.93 1t1d n ASN 99 Ca 0.00 0.66 0.18 0.00 -0.03 0.00 0.00 54.58 55.39 1t1d n ASN 99 Cb 0.26 -0.78 0.86 0.00 -0.61 0.00 0.00 39.78 39.51 1t1d n ASN 99 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1t1d h ARG 100 N 0.00 0.00 -0.47 3.52 2.47 -1.60 -2.41 114.38 115.89 1t1d h ARG 100 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1t1d h ARG 100 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1t1d h ARG 100 CO 0.00 0.03 0.00 0.66 0.56 0.00 0.00 179.97 181.22 1t1d n TYR 101 N -3.20 0.62 -2.26 3.04 4.02 -0.15 -4.98 117.16 114.25 1t1d n TYR 101 Ca -0.01 -0.37 -0.41 0.00 -0.01 0.00 0.00 57.90 57.10 1t1d n TYR 101 Cb 0.22 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 1t1d n TYR 101 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1t1d s TYR 102 N -1.17 3.29 -0.44 -0.72 5.04 -0.91 -1.20 117.35 121.23 1t1d s TYR 102 Ca 0.37 1.39 -0.08 0.00 -2.44 0.00 0.00 57.07 56.31 1t1d s TYR 102 Cb 0.20 -3.54 0.11 0.00 0.35 0.00 0.00 41.96 39.08 1t1d s TYR 102 CO 0.27 -1.54 0.29 0.34 -1.34 0.00 0.00 175.55 173.58 1t1d s ASP 103 N -0.12 5.59 0.54 4.32 -1.08 0.79 -4.89 116.67 121.82 1t1d s ASP 103 Ca 0.52 -1.81 0.30 0.00 -0.52 0.00 0.00 52.55 51.03 1t1d s ASP 103 Cb -0.36 -1.97 1.57 0.00 -1.46 0.00 0.00 42.92 40.70 1t1d s ASP 103 CO 0.42 -0.62 2.11 1.55 0.52 0.00 0.00 175.17 179.15 1t1d h PRO 104 N 8.36 0.00 -0.05 4.34 0.13 -1.94 0.65 132.00 143.49 1t1d h PRO 104 Ca -0.20 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.76 1t1d h PRO 104 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1t1d h PRO 104 CO 0.80 0.09 -0.72 1.25 -0.23 0.00 0.00 178.00 179.19 1t1d h LEU 105 N 0.00 0.33 -1.19 1.56 6.46 -1.95 -3.33 115.31 117.18 1t1d h LEU 105 Ca -0.00 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1t1d h LEU 105 Cb 0.29 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1t1d h LEU 105 CO 0.01 0.94 -0.07 0.54 -0.62 0.00 0.00 178.44 179.24 1t1d n ARG 106 N -3.80 1.01 -3.62 1.25 1.74 -0.99 -5.01 116.66 107.23 1t1d n ARG 106 Ca -0.03 -0.95 -0.22 0.00 -0.77 0.00 0.00 57.85 55.87 1t1d n ARG 106 Cb 0.70 -1.16 0.04 0.00 -1.02 0.00 0.00 32.46 31.02 1t1d n ARG 106 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1t1d n ASN 107 N 0.31 -2.76 -4.05 0.55 5.15 0.19 -4.99 115.26 109.65 1t1d n ASN 107 Ca 0.05 -0.84 -0.10 0.00 -0.60 0.00 0.00 54.58 53.10 1t1d n ASN 107 Cb 0.25 -4.13 -0.08 0.00 -0.53 0.00 0.00 39.78 35.29 1t1d n ASN 107 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1t1d s GLU 108 N -5.73 1.17 -0.25 1.20 2.02 -1.20 -4.67 118.70 111.24 1t1d s GLU 108 Ca 0.16 -1.32 -0.09 0.00 0.02 0.00 0.00 54.97 53.73 1t1d s GLU 108 Cb -0.04 0.34 -0.04 0.00 0.10 0.00 0.00 34.13 34.49 1t1d s GLU 108 CO 0.81 -0.41 0.13 0.71 0.02 0.00 0.00 175.26 176.51 1t1d s TYR 109 N -4.03 3.18 -0.17 1.61 1.51 -0.16 -0.15 117.35 119.15 1t1d s TYR 109 Ca 0.23 -0.07 -0.05 0.00 -1.01 0.00 0.00 57.07 56.17 1t1d s TYR 109 Cb 0.04 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1t1d s TYR 109 CO 0.04 -0.17 -0.00 0.12 -1.11 0.00 0.00 175.55 174.43 1t1d s PHE 110 N 1.46 3.09 -0.14 2.71 5.36 -0.34 -0.04 117.98 130.08 1t1d s PHE 110 Ca 0.06 -0.20 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 1t1d s PHE 110 Cb -0.15 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1t1d s PHE 110 CO 0.06 0.00 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.61 1t1d s PHE 111 N 0.42 2.19 -1.20 10.12 0.08 -0.36 -4.85 117.98 124.38 1t1d s PHE 111 Ca -0.02 -1.18 -0.06 0.00 0.12 0.00 0.00 56.93 55.79 1t1d s PHE 111 Cb -0.14 -1.59 0.22 0.00 -0.57 0.00 0.00 43.02 40.95 1t1d s PHE 111 CO 0.02 -0.62 1.78 -3.47 -0.10 0.00 0.00 175.22 172.83 1t1d n ASP 112 N 4.55 6.01 -4.16 1.36 2.03 -1.26 -1.03 116.55 124.04 1t1d n ASP 112 Ca -0.18 -3.26 -0.16 0.00 0.52 0.00 0.00 54.79 51.70 1t1d n ASP 112 Cb 0.50 -1.37 -0.10 0.00 -0.72 0.00 0.00 41.12 39.44 1t1d n ASP 112 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1t1d s ARG 113 N -1.24 1.43 0.07 -0.67 0.52 -1.26 -4.97 118.95 112.84 1t1d s ARG 113 Ca 0.38 -1.79 -0.37 0.00 -0.52 0.00 0.00 55.73 53.43 1t1d s ARG 113 Cb 0.09 -0.08 -0.17 0.00 0.52 0.00 0.00 34.95 35.32 1t1d s ARG 113 CO 0.03 -0.38 1.37 -1.71 0.02 0.00 0.00 175.30 174.63 1t1d n ASN 114 N -0.60 1.75 -0.04 0.23 2.85 -1.26 -4.39 115.26 113.80 1t1d n ASN 114 Ca 0.01 1.11 -0.18 0.00 -0.11 0.00 0.00 54.58 55.41 1t1d n ASN 114 Cb 0.66 -1.20 -0.13 0.00 1.24 0.00 0.00 39.78 40.35 1t1d n ASN 114 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1t1d h ARG 115 N 4.77 0.10 0.00 1.20 3.08 -1.97 -3.38 114.38 118.18 1t1d h ARG 115 Ca -0.48 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.40 1t1d h ARG 115 Cb 1.33 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 1t1d h ARG 115 CO 0.79 1.08 -0.05 -1.00 -1.07 0.00 0.00 179.97 179.72 1t1d h PRO 116 N -0.76 0.00 0.00 0.04 0.13 -1.98 -1.74 132.00 127.69 1t1d h PRO 116 Ca -0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.89 1t1d h PRO 116 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1t1d h PRO 116 CO -0.02 0.05 -0.35 0.77 -0.23 0.00 0.00 178.00 178.23 1t1d h SER 117 N 0.00 0.00 0.36 1.44 0.02 -1.99 -3.32 113.55 110.06 1t1d h SER 117 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1t1d h SER 117 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1t1d h SER 117 CO 0.01 0.35 -0.34 0.15 -1.14 0.00 0.00 176.83 175.86 1t1d h PHE 118 N 0.00 0.00 -0.75 3.45 3.57 -1.49 -2.40 116.94 119.32 1t1d h PHE 118 Ca -0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1t1d h PHE 118 Cb 0.87 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.48 1t1d h PHE 118 CO 0.00 0.34 0.08 -0.44 -2.23 0.00 0.00 178.31 176.05 1t1d h ASP 119 N 0.00 -0.21 0.56 0.41 3.32 -1.74 -0.69 116.42 118.06 1t1d h ASP 119 Ca -0.00 0.18 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 1t1d h ASP 119 Cb 0.61 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1t1d h ASP 119 CO 0.04 -0.14 -0.70 0.00 -1.72 0.00 0.00 179.24 176.73 1t1d h ALA 120 N 1.68 0.79 -0.30 3.45 0.00 -1.69 -0.97 119.26 122.23 1t1d h ALA 120 Ca 0.42 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1t1d h ALA 120 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1t1d h ALA 120 CO -0.61 0.83 -0.21 0.82 0.00 0.00 0.00 179.25 180.07 1t1d h ILE 121 N 0.08 1.30 -0.42 0.00 1.08 -1.04 -1.40 117.51 117.11 1t1d h ILE 121 Ca -0.01 -1.34 -0.13 0.00 -0.39 0.00 0.00 64.86 62.98 1t1d h ILE 121 Cb 1.24 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 1t1d h ILE 121 CO 0.10 0.43 -0.26 0.25 -0.69 0.00 0.00 178.15 177.98 1t1d h LEU 122 N 0.42 0.95 -1.71 1.44 5.85 -1.10 -2.71 115.31 118.45 1t1d h LEU 122 Ca 0.06 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1t1d h LEU 122 Cb 0.75 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1t1d h LEU 122 CO 0.06 1.17 -0.17 0.22 -0.34 0.00 0.00 178.44 179.38 1t1d h TYR 123 N 0.74 0.00 -0.82 1.25 3.20 -1.12 -1.60 116.97 118.62 1t1d h TYR 123 Ca 0.09 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.09 1t1d h TYR 123 Cb 0.84 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.02 1t1d h TYR 123 CO 0.06 0.17 0.42 0.35 -1.64 0.00 0.00 178.16 177.51 1t1d h PHE 124 N 0.00 0.73 -0.13 -3.82 3.57 -0.91 -0.22 116.94 116.16 1t1d h PHE 124 Ca -0.00 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 1t1d h PHE 124 Cb 0.31 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.85 1t1d h PHE 124 CO 0.00 0.19 -0.48 1.88 -2.23 0.00 0.00 178.31 177.67 1t1d h TYR 125 N 0.61 0.74 -0.37 0.41 -1.99 -1.38 0.24 116.97 115.25 1t1d h TYR 125 Ca 0.44 -0.31 -0.07 0.00 2.00 0.00 0.00 58.73 60.80 1t1d h TYR 125 Cb 0.60 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 1t1d h TYR 125 CO -0.10 1.08 -0.05 1.96 -0.00 0.00 0.00 178.16 181.05 1t1d h GLN 126 N 0.19 0.60 -0.01 4.88 4.20 -0.97 -2.55 115.11 121.45 1t1d h GLN 126 Ca -0.02 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1t1d h GLN 126 Cb 1.11 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1t1d h GLN 126 CO 0.10 0.66 -0.08 -1.13 -0.67 0.00 0.00 178.83 177.71 1t1d n SER 127 N -4.23 0.98 -0.90 1.46 3.41 -0.13 -4.93 113.62 109.29 1t1d n SER 127 Ca 0.01 -1.10 -0.08 0.00 -0.26 0.00 0.00 58.87 57.45 1t1d n SER 127 Cb 0.30 0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1t1d n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t1d n GLY 128 N 1.21 0.08 0.00 5.00 0.00 -0.96 -4.16 105.19 106.36 1t1d n GLY 128 Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1t1d n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t1d n GLY 129 N -1.01 0.98 3.64 -0.02 0.00 0.84 -5.03 105.19 104.59 1t1d n GLY 129 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1t1d n GLY 129 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1t1d s ARG 130 N 0.00 3.96 -0.27 1.61 3.52 -1.25 -4.98 118.95 121.54 1t1d s ARG 130 Ca 0.00 1.37 -0.06 0.00 -0.13 0.00 0.00 55.73 56.91 1t1d s ARG 130 Cb 0.00 -3.88 -0.00 0.00 -1.56 0.00 0.00 34.95 29.51 1t1d s ARG 130 CO 0.00 -1.06 0.05 -1.17 -0.81 0.00 0.00 175.30 172.30 1t1d s LEU 131 N 4.30 3.54 -0.04 -0.88 2.96 -1.26 -3.60 118.68 123.70 1t1d s LEU 131 Ca 0.58 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1t1d s LEU 131 Cb -0.18 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.68 1t1d s LEU 131 CO 0.22 -0.12 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.00 1t1d s ARG 132 N 1.51 0.44 -0.09 1.98 1.81 -1.26 -4.90 118.95 118.44 1t1d s ARG 132 Ca 0.04 0.06 -0.29 0.00 -1.72 0.00 0.00 55.73 53.81 1t1d s ARG 132 Cb -0.16 -0.64 -0.01 0.00 -0.45 0.00 0.00 34.95 33.69 1t1d s ARG 132 CO 0.01 -0.16 0.99 0.50 -0.68 0.00 0.00 175.30 175.96 1t1d s ARG 133 N 1.21 4.44 0.62 3.54 3.52 -1.26 -4.76 118.95 126.26 1t1d s ARG 133 Ca -0.07 1.37 -0.19 0.00 -0.13 0.00 0.00 55.73 56.72 1t1d s ARG 133 Cb -0.13 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1t1d s ARG 133 CO -0.02 -0.27 1.15 -2.30 -0.81 0.00 0.00 175.30 173.05 1t1d n PRO 134 N 4.85 1.08 0.16 5.12 -0.02 -1.26 -4.92 135.00 140.00 1t1d n PRO 134 Ca 0.08 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 1t1d n PRO 134 Cb 0.49 -2.37 0.12 0.00 -0.02 0.00 0.00 33.50 31.72 1t1d n PRO 134 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1t1d h VAL 135 N 0.61 0.77 0.00 -1.45 -1.51 -1.98 -3.17 116.25 109.52 1t1d h VAL 135 Ca -0.50 -1.94 0.00 0.00 -1.23 0.00 0.00 66.70 63.04 1t1d h VAL 135 Cb 1.35 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.77 1t1d h VAL 135 CO 0.52 0.42 0.00 -0.46 -1.23 0.00 0.00 177.57 176.82 1t1d n ASN 136 N -3.27 0.00 -4.05 4.19 6.94 -1.26 -4.65 115.26 113.16 1t1d n ASN 136 Ca 0.02 -0.82 -0.31 0.00 -0.02 0.00 0.00 54.58 53.45 1t1d n ASN 136 Cb 0.66 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.92 1t1d n ASN 136 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1t1d s VAL 137 N -2.00 1.73 0.67 3.53 1.01 -1.20 -5.08 120.40 119.06 1t1d s VAL 137 Ca 0.34 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1t1d s VAL 137 Cb 0.16 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1t1d s VAL 137 CO 0.26 0.48 1.16 -2.16 0.00 0.00 0.00 175.10 174.84 1t1d s PRO 138 N 1.42 2.61 0.18 2.72 0.05 -1.26 -4.74 135.00 135.98 1t1d s PRO 138 Ca 0.05 1.60 -0.20 0.00 0.05 0.00 0.00 61.00 62.49 1t1d s PRO 138 Cb -0.13 -1.91 0.10 0.00 0.05 0.00 0.00 34.50 32.62 1t1d s PRO 138 CO -0.11 -1.43 1.61 1.25 0.05 0.00 0.00 177.00 178.36 1t1d h LEU 139 N 0.10 -0.92 -0.55 -3.56 6.46 -1.97 -0.68 115.31 114.19 1t1d h LEU 139 Ca -0.48 0.19 -0.13 0.00 -0.12 0.00 0.00 57.88 57.34 1t1d h LEU 139 Cb 1.27 0.47 -0.01 0.00 -0.73 0.00 0.00 40.66 41.65 1t1d h LEU 139 CO 0.53 -0.28 -0.21 -2.24 -0.62 0.00 0.00 178.44 175.61 1t1d h ASP 140 N -0.18 0.96 0.12 1.25 3.04 -1.99 -0.62 116.42 119.01 1t1d h ASP 140 Ca 0.21 -0.36 0.01 0.00 -3.24 0.00 0.00 57.03 53.64 1t1d h ASP 140 Cb 0.51 -0.27 -0.01 0.00 -1.04 0.00 0.00 39.33 38.52 1t1d h ASP 140 CO -0.56 1.14 -0.13 0.58 -2.04 0.00 0.00 179.24 178.22 1t1d h VAL 141 N 0.82 0.70 -0.81 4.15 2.07 -1.80 -1.70 116.25 119.68 1t1d h VAL 141 Ca 0.11 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1t1d h VAL 141 Cb 0.77 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1t1d h VAL 141 CO 0.06 0.00 0.35 0.15 0.02 0.00 0.00 177.57 178.15 1t1d h PHE 142 N -0.29 1.21 -0.80 1.57 3.57 -1.07 -2.05 116.94 119.09 1t1d h PHE 142 Ca 0.01 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1t1d h PHE 142 Cb 0.28 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1t1d h PHE 142 CO -0.13 0.90 0.53 0.77 -2.23 0.00 0.00 178.31 178.14 1t1d h SER 143 N 1.17 0.90 -0.37 0.41 0.02 -0.90 -0.59 113.55 114.20 1t1d h SER 143 Ca 0.27 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1t1d h SER 143 Cb 0.18 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1t1d h SER 143 CO -0.03 0.65 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.94 1t1d h GLU 144 N 1.07 0.78 -0.36 3.45 5.08 -0.97 -2.42 114.58 121.20 1t1d h GLU 144 Ca 0.30 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1t1d h GLU 144 Cb -0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1t1d h GLU 144 CO -0.07 0.82 -0.38 0.93 -1.00 0.00 0.00 179.01 179.31 1t1d h GLU 145 N 0.72 0.87 -0.30 2.33 4.39 -0.56 -1.39 114.58 120.65 1t1d h GLU 145 Ca 0.13 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.32 1t1d h GLU 145 Cb 0.51 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1t1d h GLU 145 CO 0.03 1.10 -0.07 -0.84 -1.16 0.00 0.00 179.01 178.06 1t1d h ILE 146 N 0.72 1.21 -0.30 3.13 3.07 -1.01 -0.76 117.51 123.56 1t1d h ILE 146 Ca 0.06 -0.89 -0.04 0.00 1.55 0.00 0.00 64.86 65.54 1t1d h ILE 146 Cb 0.96 1.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.57 1t1d h ILE 146 CO 0.09 0.30 0.04 0.11 -1.05 0.00 0.00 178.15 177.63 1t1d h LYS 147 N 0.45 0.51 -0.60 0.16 1.57 -1.31 -1.77 116.57 115.58 1t1d h LYS 147 Ca 0.09 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1t1d h LYS 147 Cb 0.41 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1t1d h LYS 147 CO 0.02 0.62 0.38 0.35 -0.57 0.00 0.00 179.45 180.26 1t1d h PHE 148 N 0.33 0.72 0.00 -1.35 3.57 -0.63 -1.21 116.94 118.37 1t1d h PHE 148 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1t1d h PHE 148 Cb 0.37 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1t1d h PHE 148 CO 0.03 0.44 0.00 0.66 -2.23 0.00 0.00 178.31 177.20 1t1d n TYR 149 N -4.70 0.00 -3.57 0.41 4.01 -0.35 -4.84 117.16 108.13 1t1d n TYR 149 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 1t1d n TYR 149 Cb 0.05 -0.11 0.05 0.00 -0.31 0.00 0.00 39.34 39.01 1t1d n TYR 149 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1t1d n GLU 150 N -1.11 -3.40 0.12 -0.72 1.02 -0.46 -1.95 120.64 114.13 1t1d n GLU 150 Ca 0.19 0.65 0.12 0.00 -0.02 0.00 0.00 57.16 58.10 1t1d n GLU 150 Cb 0.15 -5.11 0.47 0.00 -0.02 0.00 0.00 31.44 26.93 1t1d n GLU 150 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1t1d n LEU 151 N -3.98 0.67 0.00 -4.62 4.77 -1.10 -4.10 117.00 108.63 1t1d n LEU 151 Ca -0.19 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1t1d n LEU 151 Cb 0.64 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1t1d n LEU 151 CO 0.65 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1t1d n GLY 152 N 0.30 2.70 0.19 -0.72 0.00 -1.26 -4.54 105.19 101.85 1t1d n GLY 152 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1t1d n GLY 152 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t1d h GLU 153 N 0.00 0.10 -0.09 1.61 4.39 -1.97 -0.61 114.58 118.01 1t1d h GLU 153 Ca 0.00 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1t1d h GLU 153 Cb 0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1t1d h GLU 153 CO 0.00 0.50 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.43 1t1d h ASN 154 N 0.09 -0.05 -0.49 1.42 2.35 -2.00 0.13 115.58 117.03 1t1d h ASN 154 Ca 0.01 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1t1d h ASN 154 Cb 0.76 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1t1d h ASN 154 CO 0.06 -0.01 -0.15 0.00 -1.65 0.00 0.00 177.43 175.68 1t1d h ALA 155 N 1.08 0.68 -0.42 -0.83 0.00 -1.74 -2.63 119.26 115.40 1t1d h ALA 155 Ca 0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1t1d h ALA 155 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1t1d h ALA 155 CO -0.07 0.62 0.08 0.35 0.00 0.00 0.00 179.25 180.23 1t1d h PHE 156 N 0.83 0.64 0.10 0.00 3.57 -0.68 -1.50 116.94 119.90 1t1d h PHE 156 Ca 0.12 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1t1d h PHE 156 Cb 0.71 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1t1d h PHE 156 CO 0.05 0.56 -0.05 0.93 -2.23 0.00 0.00 178.31 177.57 1t1d h GLU 157 N 0.61 -0.13 -0.35 1.11 5.08 -0.59 0.27 114.58 120.57 1t1d h GLU 157 Ca 0.14 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1t1d h GLU 157 Cb 0.26 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1t1d h GLU 157 CO -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 1t1d h ARG 158 N -0.28 0.10 -0.36 2.33 3.08 -1.13 -0.78 114.38 117.34 1t1d h ARG 158 Ca -0.01 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1t1d h ARG 158 Cb 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1t1d h ARG 158 CO 0.02 0.07 0.14 -0.92 -1.07 0.00 0.00 179.97 178.21 1t1d h TYR 159 N 0.10 0.26 -0.79 3.04 3.20 -1.14 -1.25 116.97 120.39 1t1d h TYR 159 Ca 0.17 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1t1d h TYR 159 Cb 0.23 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1t1d h TYR 159 CO -0.24 0.11 0.52 0.00 -1.64 0.00 0.00 178.16 176.91 1t1d h ARG 160 N 0.30 1.03 0.07 1.82 3.08 -0.17 -1.96 114.38 118.56 1t1d h ARG 160 Ca 0.16 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1t1d h ARG 160 Cb 0.12 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1t1d h ARG 160 CO -0.15 0.68 -0.03 0.93 -1.07 0.00 0.00 179.97 180.33 1t1d h GLU 161 N 1.06 -0.09 -0.85 0.04 4.39 -0.70 -2.22 114.58 116.21 1t1d h GLU 161 Ca 0.29 0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.24 1t1d h GLU 161 Cb -0.11 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1t1d h GLU 161 CO -0.07 0.04 0.60 -0.44 -1.16 0.00 0.00 179.01 177.99 1t1d h ASP 162 N -0.20 0.04 -0.01 1.42 3.32 -0.87 -2.59 116.42 117.54 1t1d h ASP 162 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1t1d h ASP 162 Cb 0.17 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1t1d h ASP 162 CO 0.02 0.01 -0.39 -0.62 -1.72 0.00 0.00 179.24 176.54 1t1d n GLU 163 N -4.31 1.96 0.00 3.56 -0.58 -0.77 -5.08 120.64 115.42 1t1d n GLU 163 Ca 0.17 -0.57 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 1t1d n GLU 163 Cb 0.89 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.56 1t1d n GLU 163 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t1d n GLY 164 N 1.14 1.33 0.00 0.62 0.00 -0.86 -5.10 105.19 102.33 1t1d n GLY 164 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1t1d n GLY 164 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29