#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1g s ASP 39 N 0.00 6.06 0.32 1.69 -1.08 -1.26 -5.04 116.67 117.37 1s1g s ASP 39 Ca 0.00 0.04 -0.17 0.00 -0.52 0.00 0.00 52.55 51.90 1s1g s ASP 39 Cb 0.00 -2.11 -0.09 0.00 -1.46 0.00 0.00 42.92 39.25 1s1g s ASP 39 CO 0.00 -0.00 0.77 -1.61 0.52 0.00 0.00 175.17 174.84 1s1g s GLU 40 N 1.48 4.08 -0.48 4.34 2.02 -1.26 -4.95 118.70 123.93 1s1g s GLU 40 Ca 0.07 0.77 -0.04 0.00 0.02 0.00 0.00 54.97 55.80 1s1g s GLU 40 Cb -0.15 -2.47 0.13 0.00 0.10 0.00 0.00 34.13 31.74 1s1g s GLU 40 CO 0.08 0.17 0.29 -1.17 0.02 0.00 0.00 175.26 174.65 1s1g s LEU 41 N -2.85 5.34 0.33 1.80 2.96 -1.26 -1.02 118.68 123.99 1s1g s LEU 41 Ca 0.54 -2.23 -0.10 0.00 -0.22 0.00 0.00 54.13 52.12 1s1g s LEU 41 Cb -0.11 -1.87 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 1s1g s LEU 41 CO 0.17 -0.52 0.67 0.27 -1.32 0.00 0.00 176.35 175.62 1s1g s ILE 42 N 0.86 4.85 -0.21 6.68 -4.36 -0.27 -4.88 121.20 123.87 1s1g s ILE 42 Ca 0.10 0.52 -0.06 0.00 -0.26 0.00 0.00 60.65 60.95 1s1g s ILE 42 Cb -0.22 -3.69 -0.03 0.00 1.25 0.00 0.00 42.46 39.77 1s1g s ILE 42 CO -0.04 -0.33 0.02 -0.69 0.24 0.00 0.00 174.94 174.15 1s1g s VAL 43 N -2.13 4.14 -0.45 8.37 1.01 -1.26 -2.27 120.40 127.81 1s1g s VAL 43 Ca 0.49 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 1s1g s VAL 43 Cb -0.11 -2.88 0.12 0.00 0.00 0.00 0.00 36.38 33.51 1s1g s VAL 43 CO 0.26 0.42 0.29 -0.76 0.00 0.00 0.00 175.10 175.31 1s1g s LEU 44 N 1.01 5.50 -0.57 3.92 1.43 0.14 -2.62 118.68 127.49 1s1g s LEU 44 Ca 0.02 -2.00 -0.27 0.00 -1.03 0.00 0.00 54.13 50.86 1s1g s LEU 44 Cb -0.14 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1s1g s LEU 44 CO 0.02 -0.62 1.10 0.21 0.23 0.00 0.00 176.35 177.29 1s1g s ASN 45 N 2.24 6.39 -0.34 2.29 3.84 0.54 -1.24 114.94 128.66 1s1g s ASN 45 Ca 0.07 -0.10 -0.06 0.00 0.21 0.00 0.00 52.86 52.99 1s1g s ASN 45 Cb -0.24 -2.51 0.05 0.00 -0.55 0.00 0.00 41.25 38.00 1s1g s ASN 45 CO -0.02 -1.39 0.11 -0.69 -2.79 0.00 0.00 177.10 172.31 1s1g s VAL 46 N 4.58 3.72 -1.97 -5.21 1.01 0.18 -0.32 120.40 122.38 1s1g s VAL 46 Ca 0.38 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1s1g s VAL 46 Cb -0.09 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1s1g s VAL 46 CO 0.23 -0.22 0.00 -0.24 0.00 0.00 0.00 175.10 174.86 1s1g n SER 47 N 4.79 -5.16 0.00 3.32 2.88 0.72 -0.01 113.62 120.17 1s1g n SER 47 Ca -0.12 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1s1g n SER 47 Cb 0.44 -4.54 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 1s1g n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s1g n GLY 48 N -0.47 2.74 3.68 0.46 0.00 -1.26 -4.98 105.19 105.35 1s1g n GLY 48 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1s1g n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1g s ARG 49 N -0.39 4.35 -0.17 1.61 1.81 0.99 -5.02 118.95 122.13 1s1g s ARG 49 Ca 0.00 1.47 -0.16 0.00 -1.72 0.00 0.00 55.73 55.32 1s1g s ARG 49 Cb 0.00 -3.59 -0.04 0.00 -0.45 0.00 0.00 34.95 30.87 1s1g s ARG 49 CO 0.00 -0.46 0.38 1.03 -0.68 0.00 0.00 175.30 175.57 1s1g s ARG 50 N 2.49 4.23 0.03 3.54 0.52 -1.26 0.50 118.95 129.00 1s1g s ARG 50 Ca 0.49 0.21 0.08 0.00 -0.52 0.00 0.00 55.73 56.00 1s1g s ARG 50 Cb -0.19 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1s1g s ARG 50 CO 0.15 0.08 -0.23 -0.06 0.02 0.00 0.00 175.30 175.26 1s1g s PHE 51 N 0.94 2.42 -0.02 -0.53 0.08 -0.37 -4.96 117.98 115.54 1s1g s PHE 51 Ca 0.20 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 56.93 1s1g s PHE 51 Cb -0.14 -1.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1s1g s PHE 51 CO 0.07 0.15 -0.13 -0.65 -0.10 0.00 0.00 175.22 174.55 1s1g s GLN 52 N -1.19 1.16 0.16 0.44 -0.21 -1.26 0.27 119.66 119.02 1s1g s GLN 52 Ca 0.12 -0.48 -0.16 0.00 0.02 0.00 0.00 55.36 54.86 1s1g s GLN 52 Cb -0.10 -1.10 0.03 0.00 1.00 0.00 0.00 33.01 32.84 1s1g s GLN 52 CO 0.03 0.27 0.45 -0.08 -2.12 0.00 0.00 175.29 173.83 1s1g s THR 53 N -0.22 0.05 0.25 -0.19 -1.32 -0.96 -5.00 115.64 108.24 1s1g s THR 53 Ca 0.03 -0.70 -0.30 0.00 -1.21 0.00 0.00 61.69 59.51 1s1g s THR 53 Cb -0.06 -1.38 -0.09 0.00 -1.51 0.00 0.00 72.50 69.45 1s1g s THR 53 CO -0.00 -0.22 1.02 0.26 -2.21 0.00 0.00 174.62 173.46 1s1g s TRP 54 N -3.84 3.79 0.52 9.09 0.52 -1.26 -1.11 118.94 126.64 1s1g s TRP 54 Ca 0.07 1.80 0.29 0.00 0.02 0.00 0.00 56.10 58.28 1s1g s TRP 54 Cb 0.01 -3.13 1.42 0.00 -1.15 0.00 0.00 33.47 30.62 1s1g s TRP 54 CO -0.07 -0.03 1.89 -0.09 0.02 0.00 0.00 176.95 178.67 1s1g h ARG 55 N 4.14 0.06 0.13 4.98 2.43 -1.44 0.53 114.38 125.21 1s1g h ARG 55 Ca -0.46 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1s1g h ARG 55 Cb 1.21 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1s1g h ARG 55 CO 0.68 0.04 -0.08 1.15 -1.51 0.00 0.00 179.97 180.24 1s1g h THR 56 N 0.06 0.82 -0.72 0.20 2.02 -1.91 -2.37 112.91 111.01 1s1g h THR 56 Ca 0.42 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.69 1s1g h THR 56 Cb 1.58 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.74 1s1g h THR 56 CO -0.03 0.00 0.37 0.74 0.37 0.00 0.00 175.52 176.97 1s1g h THR 57 N -0.21 0.86 0.00 3.16 2.02 -1.27 -1.72 112.91 115.75 1s1g h THR 57 Ca -0.01 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 1s1g h THR 57 Cb 0.18 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1s1g h THR 57 CO 0.01 0.12 -0.40 -0.07 0.37 0.00 0.00 175.52 175.55 1s1g h LEU 58 N 0.63 0.00 -0.52 2.58 3.38 -1.34 -2.87 115.31 117.18 1s1g h LEU 58 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1s1g h LEU 58 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1s1g h LEU 58 CO -0.26 0.40 0.00 -0.33 0.09 0.00 0.00 178.44 178.34 1s1g h GLU 59 N 0.00 0.00 -0.34 1.13 5.08 -0.79 -3.20 114.58 116.47 1s1g h GLU 59 Ca -0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1s1g h GLU 59 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1s1g h GLU 59 CO 0.05 0.00 0.32 0.00 -1.00 0.00 0.00 179.01 178.39 1s1g h ARG 60 N 0.00 0.00 -3.08 2.33 3.08 -1.28 -3.30 114.38 112.13 1s1g h ARG 60 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1s1g h ARG 60 Cb 0.63 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.28 1s1g h ARG 60 CO 0.00 0.00 -0.73 0.71 -1.07 0.00 0.00 179.97 178.88 1s1g s TYR 61 N -4.73 2.11 1.07 3.04 1.51 -1.21 -5.11 117.35 114.03 1s1g s TYR 61 Ca -0.05 -2.47 -0.18 0.00 -1.01 0.00 0.00 57.07 53.36 1s1g s TYR 61 Cb 0.16 -1.99 0.25 0.00 -0.11 0.00 0.00 41.96 40.28 1s1g s TYR 61 CO 0.59 -0.79 1.26 -0.35 -1.11 0.00 0.00 175.55 175.16 1s1g n PRO 62 N 3.58 -1.91 0.00 -1.71 -0.04 -1.25 -3.84 135.00 129.83 1s1g n PRO 62 Ca 0.08 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 1s1g n PRO 62 Cb 0.35 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1s1g n PRO 62 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1s1g n ASP 63 N -4.20 0.00 -4.88 3.54 5.68 -1.26 -4.92 116.55 110.51 1s1g n ASP 63 Ca 0.16 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.16 1s1g n ASP 63 Cb 0.58 -0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.49 1s1g n ASP 63 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1s1g s THR 64 N -0.45 4.81 0.26 2.12 -4.23 -1.25 -4.94 115.64 111.96 1s1g s THR 64 Ca 0.00 0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1s1g s THR 64 Cb 0.00 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.30 1s1g s THR 64 CO 0.00 -0.76 1.90 0.25 -0.54 0.00 0.00 174.62 175.46 1s1g h LEU 65 N 0.57 1.07 -0.51 4.79 6.46 -1.72 -2.57 115.31 123.41 1s1g h LEU 65 Ca -0.47 -0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.16 1s1g h LEU 65 Cb 1.19 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1s1g h LEU 65 CO 0.62 0.72 -0.61 -0.07 -0.62 0.00 0.00 178.44 178.48 1s1g h LEU 66 N 1.23 0.00 -3.46 2.25 3.38 -1.90 -3.03 115.31 113.78 1s1g h LEU 66 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1s1g h LEU 66 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1s1g h LEU 66 CO -0.14 0.61 0.01 0.61 0.09 0.00 0.00 178.44 179.62 1s1g n GLY 67 N 0.67 3.42 2.98 0.83 0.00 -1.10 -4.81 105.19 107.19 1s1g n GLY 67 Ca -0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1s1g n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s1g s SER 68 N -1.23 -0.13 0.13 1.61 1.04 -0.99 -4.15 113.70 109.97 1s1g s SER 68 Ca 0.50 0.28 0.05 0.00 0.48 0.00 0.00 55.95 57.27 1s1g s SER 68 Cb 0.39 0.25 0.18 0.00 0.10 0.00 0.00 66.02 66.94 1s1g s SER 68 CO 0.13 -0.08 0.27 0.35 0.98 0.00 0.00 173.24 174.89 1s1g n THR 69 N 3.40 0.00 -0.27 2.02 -2.24 -1.26 -2.24 114.28 113.68 1s1g n THR 69 Ca -0.17 0.26 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 1s1g n THR 69 Cb 0.57 -0.47 0.23 0.00 -2.10 0.00 0.00 70.33 68.56 1s1g n THR 69 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1s1g h GLU 70 N 0.00 0.24 0.00 -0.78 5.08 -1.91 0.25 114.58 117.46 1s1g h GLU 70 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1s1g h GLU 70 Cb 0.61 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1s1g h GLU 70 CO -0.00 0.16 0.27 1.57 -1.00 0.00 0.00 179.01 180.01 1s1g h LYS 71 N 0.24 0.00 0.00 2.33 2.10 -1.32 0.12 116.57 120.04 1s1g h LYS 71 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1s1g h LYS 71 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1s1g h LYS 71 CO -0.58 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 177.80 1s1g h GLU 72 N 0.00 0.00 0.00 0.07 3.07 -1.21 -1.66 114.58 114.85 1s1g h GLU 72 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1s1g h GLU 72 Cb 0.55 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1s1g h GLU 72 CO 0.00 0.00 -0.06 0.35 -1.40 0.00 0.00 179.01 177.90 1s1g h PHE 73 N 0.00 0.00 -3.00 4.33 3.57 -0.94 -3.29 116.94 117.61 1s1g h PHE 73 Ca 0.00 0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.84 1s1g h PHE 73 Cb 0.28 0.00 -0.39 0.00 2.79 0.00 0.00 35.95 38.63 1s1g h PHE 73 CO 0.00 0.06 -0.33 1.19 -2.23 0.00 0.00 178.31 177.01 1s1g n PHE 74 N -3.33 3.65 -3.68 0.41 3.01 -0.62 -5.03 117.46 111.87 1s1g n PHE 74 Ca -0.01 -4.13 -0.11 0.00 1.01 0.00 0.00 57.45 54.21 1s1g n PHE 74 Cb 0.23 -0.84 -0.11 0.00 -0.01 0.00 0.00 39.48 38.75 1s1g n PHE 74 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1s1g s PHE 75 N -1.70 -0.59 -0.39 1.38 2.19 -1.24 -2.98 117.98 114.65 1s1g s PHE 75 Ca 0.29 1.22 -0.14 0.00 0.33 0.00 0.00 56.93 58.64 1s1g s PHE 75 Cb -0.01 0.16 0.02 0.00 -1.31 0.00 0.00 43.02 41.88 1s1g s PHE 75 CO -0.11 -0.39 0.27 -0.80 1.83 0.00 0.00 175.22 176.02 1s1g s ASN 76 N 2.15 6.00 0.57 6.13 0.01 -1.05 -4.95 114.94 123.79 1s1g s ASN 76 Ca -0.03 -0.87 0.34 0.00 -0.71 0.00 0.00 52.86 51.58 1s1g s ASN 76 Cb -0.11 -2.12 1.66 0.00 0.41 0.00 0.00 41.25 41.09 1s1g s ASN 76 CO -0.11 -0.41 2.11 -0.08 -1.51 0.00 0.00 177.10 177.10 1s1g h GLU 77 N 8.56 0.00 -1.20 -0.60 4.81 -1.98 -1.50 114.58 122.67 1s1g h GLU 77 Ca -0.27 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.53 1s1g h GLU 77 Cb 1.12 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.29 1s1g h GLU 77 CO 0.70 0.05 0.56 -0.40 -0.73 0.00 0.00 179.01 179.19 1s1g n ASP 78 N -3.30 5.81 0.00 1.04 5.68 -1.26 -3.37 116.55 121.16 1s1g n ASP 78 Ca -0.01 -3.28 0.00 0.00 -0.50 0.00 0.00 54.79 51.00 1s1g n ASP 78 Cb 0.23 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 1s1g n ASP 78 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1s1g n THR 79 N -0.33 0.00 -3.55 2.12 -2.24 -1.02 -5.04 114.28 104.22 1s1g n THR 79 Ca 0.43 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 62.00 1s1g n THR 79 Cb 0.85 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.15 1s1g n THR 79 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s1g n LYS 80 N -0.03 -6.75 -3.55 -0.78 4.76 -0.59 -5.00 118.16 106.21 1s1g n LYS 80 Ca 0.00 0.80 -0.16 0.00 -2.87 0.00 0.00 58.31 56.08 1s1g n LYS 80 Cb 0.00 -5.76 -0.06 0.00 -1.84 0.00 0.00 35.03 27.37 1s1g n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1s1g s GLU 81 N -5.83 0.94 0.18 1.97 -1.05 -1.21 -4.67 118.70 109.03 1s1g s GLU 81 Ca 0.23 0.40 -0.27 0.00 -0.15 0.00 0.00 54.97 55.18 1s1g s GLU 81 Cb -0.10 0.45 -0.08 0.00 -0.44 0.00 0.00 34.13 33.95 1s1g s GLU 81 CO 0.75 -0.26 0.84 0.71 0.95 0.00 0.00 175.26 178.25 1s1g s TYR 82 N -0.82 3.92 -0.10 4.83 1.51 -1.08 -2.53 117.35 123.08 1s1g s TYR 82 Ca -0.07 1.73 0.03 0.00 -1.01 0.00 0.00 57.07 57.75 1s1g s TYR 82 Cb -0.01 -2.86 -0.01 0.00 -0.11 0.00 0.00 41.96 38.97 1s1g s TYR 82 CO 0.07 0.46 -0.21 0.12 -1.11 0.00 0.00 175.55 174.88 1s1g s PHE 83 N -1.02 2.61 -0.20 2.71 5.36 -1.16 -0.34 117.98 125.94 1s1g s PHE 83 Ca 0.38 -0.86 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 1s1g s PHE 83 Cb -0.24 -1.72 0.03 0.00 -0.34 0.00 0.00 43.02 40.75 1s1g s PHE 83 CO 0.28 -0.31 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.52 1s1g s PHE 84 N 0.23 2.75 -1.30 10.12 0.08 0.56 -4.80 117.98 125.61 1s1g s PHE 84 Ca -0.13 -1.75 -0.08 0.00 0.12 0.00 0.00 56.93 55.09 1s1g s PHE 84 Cb -0.17 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1s1g s PHE 84 CO 0.07 -0.80 2.84 -3.47 -0.10 0.00 0.00 175.22 173.76 1s1g n ASP 85 N 4.61 8.07 -4.37 1.36 2.03 -1.26 -0.20 116.55 126.78 1s1g n ASP 85 Ca -0.18 -2.78 -0.28 0.00 0.52 0.00 0.00 54.79 52.07 1s1g n ASP 85 Cb 0.47 -1.46 -0.08 0.00 -0.72 0.00 0.00 41.12 39.33 1s1g n ASP 85 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1s1g s ARG 86 N 0.76 2.03 -0.02 -0.67 1.81 -1.26 -4.96 118.95 116.65 1s1g s ARG 86 Ca 0.64 -2.26 -0.30 0.00 -1.72 0.00 0.00 55.73 52.09 1s1g s ARG 86 Cb 0.21 -0.98 -0.06 0.00 -0.45 0.00 0.00 34.95 33.67 1s1g s ARG 86 CO -0.07 -0.42 1.51 0.34 -0.68 0.00 0.00 175.30 175.97 1s1g s ASP 87 N -3.71 6.76 0.39 0.23 2.15 -1.26 -3.98 116.67 117.24 1s1g s ASP 87 Ca 0.17 2.19 0.19 0.00 0.43 0.00 0.00 52.55 55.53 1s1g s ASP 87 Cb 0.02 -2.55 0.75 0.00 -0.30 0.00 0.00 42.92 40.85 1s1g s ASP 87 CO 0.10 -0.81 1.77 1.55 -0.17 0.00 0.00 175.17 177.61 1s1g h PRO 88 N 8.44 0.00 -0.10 4.34 0.13 -1.94 -3.15 132.00 139.72 1s1g h PRO 88 Ca -0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1s1g h PRO 88 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1s1g h PRO 88 CO 0.93 0.35 -0.07 1.49 -0.23 0.00 0.00 178.00 180.47 1s1g h GLU 89 N 0.00 0.22 -0.04 0.86 4.57 -1.95 -3.20 114.58 115.04 1s1g h GLU 89 Ca -0.00 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 57.96 1s1g h GLU 89 Cb 0.83 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1s1g h GLU 89 CO 0.05 0.61 -0.50 0.28 -1.18 0.00 0.00 179.01 178.26 1s1g h VAL 90 N -0.17 1.36 -0.27 0.32 2.07 -1.99 -3.03 116.25 114.53 1s1g h VAL 90 Ca 0.02 -1.73 0.08 0.00 0.82 0.00 0.00 66.70 65.88 1s1g h VAL 90 Cb 0.56 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1s1g h VAL 90 CO 0.02 0.50 0.22 0.15 0.02 0.00 0.00 177.57 178.49 1s1g h PHE 91 N 0.08 0.00 -0.83 1.57 3.57 -1.54 -1.05 116.94 118.75 1s1g h PHE 91 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1s1g h PHE 91 Cb 0.92 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1s1g h PHE 91 CO 0.01 0.00 0.49 -0.09 -2.23 0.00 0.00 178.31 176.49 1s1g h ARG 92 N 0.00 1.12 -0.24 1.11 2.43 -1.59 0.10 114.38 117.31 1s1g h ARG 92 Ca 0.13 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 1s1g h ARG 92 Cb 0.58 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1s1g h ARG 92 CO -0.00 0.79 -0.48 0.00 -1.51 0.00 0.00 179.97 178.77 1s1g h VAL 94 N 0.52 1.11 -0.61 0.00 2.07 -1.18 -2.09 116.25 116.07 1s1g h VAL 94 Ca 0.03 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1s1g h VAL 94 Cb 1.03 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1s1g h VAL 94 CO 0.10 0.10 0.13 0.25 0.02 0.00 0.00 177.57 178.17 1s1g h LEU 95 N -0.19 0.91 -2.04 2.57 5.85 -0.77 -1.50 115.31 120.15 1s1g h LEU 95 Ca -0.00 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1s1g h LEU 95 Cb 0.18 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1s1g h LEU 95 CO 0.00 0.89 -0.05 0.78 -0.34 0.00 0.00 178.44 179.73 1s1g h ASN 96 N 0.92 0.00 0.14 1.25 2.35 -1.01 -2.73 115.58 116.50 1s1g h ASN 96 Ca 0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1s1g h ASN 96 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1s1g h ASN 96 CO 0.00 0.05 -0.07 0.15 -1.65 0.00 0.00 177.43 175.91 1s1g h PHE 97 N 0.00 -0.18 -1.00 1.19 3.57 -0.55 -2.08 116.94 117.90 1s1g h PHE 97 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1s1g h PHE 97 Cb 0.32 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 1s1g h PHE 97 CO 0.00 0.17 0.64 1.88 -2.23 0.00 0.00 178.31 178.77 1s1g h TYR 98 N -0.55 1.17 0.00 0.41 -1.99 -1.42 1.06 116.97 115.65 1s1g h TYR 98 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1s1g h TYR 98 Cb 0.43 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1s1g h TYR 98 CO 0.04 0.58 0.00 0.07 -0.00 0.00 0.00 178.16 178.85 1s1g h ARG 99 N 1.12 0.00 0.00 4.88 0.11 -1.51 -3.37 114.38 115.62 1s1g h ARG 99 Ca 0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.52 1s1g h ARG 99 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1s1g h ARG 99 CO -0.19 0.00 -0.29 0.25 0.10 0.00 0.00 179.97 179.84 1s1g n THR 100 N -2.53 0.00 0.00 0.08 -2.24 -0.79 -5.00 114.28 103.80 1s1g n THR 100 Ca 0.05 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1s1g n THR 100 Cb 0.46 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1s1g n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s1g n GLY 101 N 1.19 3.00 3.78 3.38 0.00 0.36 -4.98 105.19 111.92 1s1g n GLY 101 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1s1g n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1g s LYS 102 N -0.16 4.03 -0.26 1.61 1.02 -1.25 -4.97 119.74 119.77 1s1g s LYS 102 Ca 0.00 0.14 -0.08 0.00 0.02 0.00 0.00 55.97 56.04 1s1g s LYS 102 Cb 0.00 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1s1g s LYS 102 CO 0.00 0.44 0.09 -1.17 -0.92 0.00 0.00 175.35 173.79 1s1g s LEU 103 N -0.16 3.58 0.33 3.17 2.96 -1.25 -4.05 118.68 123.26 1s1g s LEU 103 Ca 0.18 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1s1g s LEU 103 Cb -0.14 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1s1g s LEU 103 CO 0.06 -0.05 0.45 -1.00 -1.32 0.00 0.00 176.35 174.49 1s1g s HIS 104 N 1.63 3.13 -0.24 5.38 3.76 -1.26 -1.21 115.29 126.48 1s1g s HIS 104 Ca 0.06 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 1s1g s HIS 104 Cb -0.15 -1.94 0.06 0.00 1.11 0.00 0.00 32.58 31.65 1s1g s HIS 104 CO 0.05 0.04 -0.09 -0.47 -0.85 0.00 0.00 174.74 173.42 1s1g s TYR 105 N -2.17 2.87 -0.40 1.40 5.04 -1.26 -4.98 117.35 117.85 1s1g s TYR 105 Ca 0.44 -2.04 -0.29 0.00 -2.44 0.00 0.00 57.07 52.74 1s1g s TYR 105 Cb -0.09 -1.78 0.01 0.00 0.35 0.00 0.00 41.96 40.45 1s1g s TYR 105 CO 0.31 -0.83 1.40 -1.25 -1.34 0.00 0.00 175.55 173.84 1s1g s PRO 106 N 1.24 3.62 0.00 4.97 0.04 -1.26 -4.89 135.00 138.71 1s1g s PRO 106 Ca -0.07 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.01 1s1g s PRO 106 Cb -0.19 -4.01 0.32 0.00 0.04 0.00 0.00 34.50 30.66 1s1g s PRO 106 CO -0.06 -1.51 0.74 2.89 0.04 0.00 0.00 177.00 179.10 1s1g n ARG 107 N 7.97 0.20 0.00 4.56 1.85 -1.26 -0.89 116.66 129.09 1s1g n ARG 107 Ca 0.16 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 57.14 1s1g n ARG 107 Cb 0.48 -1.41 0.28 0.00 -1.05 0.00 0.00 32.46 30.76 1s1g n ARG 107 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1s1g n TYR 108 N -0.91 0.00 -3.88 2.89 0.18 -1.26 -4.91 117.16 109.27 1s1g n TYR 108 Ca 0.04 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.48 1s1g n TYR 108 Cb 0.02 -0.04 -0.05 0.00 -0.38 0.00 0.00 39.34 38.88 1s1g n TYR 108 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1s1g s GLU 109 N -2.29 3.46 0.14 -3.48 2.56 -0.07 -5.06 118.70 113.95 1s1g s GLU 109 Ca 0.27 -0.24 -0.31 0.00 0.00 0.00 0.00 54.97 54.69 1s1g s GLU 109 Cb 0.20 -3.12 -0.08 0.00 2.00 0.00 0.00 34.13 33.13 1s1g s GLU 109 CO 0.45 0.70 1.33 0.00 -0.56 0.00 0.00 175.26 177.17 1s1g h ILE 111 N 4.08 0.84 -0.13 0.00 6.09 -1.96 -1.10 117.51 125.32 1s1g h ILE 111 Ca -0.43 -0.09 -0.10 0.00 -1.37 0.00 0.00 64.86 62.87 1s1g h ILE 111 Cb 1.21 0.56 0.00 0.00 0.47 0.00 0.00 36.82 39.06 1s1g h ILE 111 CO 0.82 0.05 -0.32 0.28 -3.07 0.00 0.00 178.15 175.91 1s1g h SER 112 N 0.26 0.51 -0.35 2.19 0.02 -1.96 -1.18 113.55 113.03 1s1g h SER 112 Ca 0.27 -0.57 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1s1g h SER 112 Cb 0.70 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1s1g h SER 112 CO -0.06 0.99 0.16 0.00 -1.14 0.00 0.00 176.83 176.79 1s1g h ALA 113 N 0.53 0.43 0.31 3.77 0.00 -1.77 0.77 119.26 123.31 1s1g h ALA 113 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s1g h ALA 113 Cb 0.92 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1s1g h ALA 113 CO 0.07 -0.21 -0.32 -0.92 0.00 0.00 0.00 179.25 177.87 1s1g h TYR 114 N 0.34 -0.85 -1.00 0.00 3.20 -1.21 -1.87 116.97 115.59 1s1g h TYR 114 Ca 0.15 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1s1g h TYR 114 Cb 0.08 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1s1g h TYR 114 CO -0.11 -0.45 0.66 -0.44 -1.64 0.00 0.00 178.16 176.18 1s1g h ASP 115 N -0.66 1.12 -0.31 -2.11 3.32 -1.00 -0.97 116.42 115.82 1s1g h ASP 115 Ca -0.02 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1s1g h ASP 115 Cb 0.60 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1s1g h ASP 115 CO -0.06 0.79 0.01 0.44 -1.72 0.00 0.00 179.24 178.70 1s1g h ASP 116 N 1.32 -0.10 -0.35 6.45 5.19 -0.49 0.17 116.42 128.61 1s1g h ASP 116 Ca 0.38 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.79 1s1g h ASP 116 Cb -0.09 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1s1g h ASP 116 CO -0.10 -0.01 -0.04 -0.33 -3.12 0.00 0.00 179.24 175.64 1s1g h GLU 117 N 0.11 0.64 -0.89 3.56 4.39 -0.90 -2.08 114.58 119.41 1s1g h GLU 117 Ca 0.15 -0.23 0.08 0.00 0.34 0.00 0.00 59.36 59.70 1s1g h GLU 117 Cb 0.19 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.73 1s1g h GLU 117 CO -0.24 0.78 0.55 -0.07 -1.16 0.00 0.00 179.01 178.88 1s1g h LEU 118 N 0.44 0.84 0.15 1.33 3.38 -0.80 -0.01 115.31 120.64 1s1g h LEU 118 Ca 0.09 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1s1g h LEU 118 Cb 0.52 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1s1g h LEU 118 CO 0.03 0.51 -0.09 0.00 0.09 0.00 0.00 178.44 178.98 1s1g h ALA 119 N 1.44 -0.23 -0.90 1.53 0.00 -0.78 0.65 119.26 120.98 1s1g h ALA 119 Ca 0.41 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.35 1s1g h ALA 119 Cb 0.26 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1s1g h ALA 119 CO -0.20 -0.63 0.55 0.35 0.00 0.00 0.00 179.25 179.32 1s1g h PHE 120 N -0.24 1.01 -0.00 0.00 3.57 -0.61 -0.78 116.94 119.88 1s1g h PHE 120 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1s1g h PHE 120 Cb 0.20 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1s1g h PHE 120 CO -0.09 0.47 -0.02 0.66 -2.23 0.00 0.00 178.31 177.10 1s1g n TYR 121 N -4.64 0.00 -2.20 0.41 4.01 -0.10 -4.80 117.16 109.84 1s1g n TYR 121 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 1s1g n TYR 121 Cb 0.24 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 1s1g n TYR 121 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s1g n GLY 122 N 1.12 -0.09 3.69 2.72 0.00 -0.30 -2.12 105.19 110.22 1s1g n GLY 122 Ca 0.20 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1s1g n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1g s ILE 123 N -2.63 5.00 -0.18 -0.61 1.01 0.08 -4.65 121.20 119.21 1s1g s ILE 123 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.48 1s1g s ILE 123 Cb 0.00 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1s1g s ILE 123 CO 0.00 0.49 0.64 -0.76 0.00 0.00 0.00 174.94 175.30 1s1g s LEU 124 N 0.11 4.16 0.00 2.97 1.02 -1.26 -4.32 118.68 121.36 1s1g s LEU 124 Ca 0.06 0.87 0.00 0.00 0.02 0.00 0.00 54.13 55.09 1s1g s LEU 124 Cb -0.12 -2.91 0.00 0.00 0.02 0.00 0.00 46.19 43.18 1s1g s LEU 124 CO 0.00 -0.25 0.41 -0.81 0.02 0.00 0.00 176.35 175.72 1s1g n PRO 125 N 4.89 0.00 0.00 1.29 -0.04 -1.26 -0.73 135.00 139.15 1s1g n PRO 125 Ca -0.01 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.58 1s1g n PRO 125 Cb 0.50 -1.42 0.51 0.00 -0.04 0.00 0.00 33.50 33.05 1s1g n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1s1g n GLU 126 N -0.91 0.43 0.00 0.54 4.71 -1.26 -2.96 120.64 121.19 1s1g n GLU 126 Ca 0.00 -0.17 0.14 0.00 -0.01 0.00 0.00 57.16 57.12 1s1g n GLU 126 Cb 0.00 -1.50 0.52 0.00 -1.01 0.00 0.00 31.44 29.46 1s1g n GLU 126 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1s1g n ILE 127 N -1.13 0.00 -1.65 -3.67 5.41 0.09 -4.88 119.36 113.52 1s1g n ILE 127 Ca 0.11 -0.05 -0.43 0.00 1.00 0.00 0.00 62.75 63.39 1s1g n ILE 127 Cb 0.31 -0.05 -0.03 0.00 -0.71 0.00 0.00 39.64 39.16 1s1g n ILE 127 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1s1g n ILE 128 N -1.12 0.72 -1.42 1.39 5.41 -1.16 -3.77 119.36 119.42 1s1g n ILE 128 Ca 0.11 -0.17 -0.38 0.00 1.00 0.00 0.00 62.75 63.31 1s1g n ILE 128 Cb 0.31 -2.32 0.04 0.00 -0.71 0.00 0.00 39.64 36.96 1s1g n ILE 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s1g n GLY 129 N 4.68 -1.72 0.32 7.39 0.00 -0.35 -4.50 105.19 111.01 1s1g n GLY 129 Ca 0.21 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.22 1s1g n GLY 129 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1s1g h ASP 130 N 0.13 0.00 0.53 1.61 3.58 -1.91 0.12 116.42 120.48 1s1g h ASP 130 Ca -0.45 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.90 1s1g h ASP 130 Cb 1.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 1s1g h ASP 130 CO 0.46 0.00 -0.46 0.00 -2.88 0.00 0.00 179.24 176.36 1s1g h TYR 133 N 0.00 -0.51 -0.60 0.00 3.20 -0.92 -1.44 116.97 116.70 1s1g h TYR 133 Ca 0.00 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1s1g h TYR 133 Cb 0.28 0.26 -0.11 0.00 1.54 0.00 0.00 36.73 38.70 1s1g h TYR 133 CO 0.00 -0.27 -0.06 1.49 -1.64 0.00 0.00 178.16 177.68 1s1g h GLU 134 N -0.19 0.06 -0.53 1.82 4.22 -1.86 0.32 114.58 118.42 1s1g h GLU 134 Ca 0.14 -0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.49 1s1g h GLU 134 Cb 0.40 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1s1g h GLU 134 CO -0.36 0.04 -0.01 0.93 -2.18 0.00 0.00 179.01 177.43 1s1g h GLU 135 N 0.07 0.95 -0.70 1.92 4.39 -1.79 -2.15 114.58 117.26 1s1g h GLU 135 Ca 0.31 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s1g h GLU 135 Cb 0.49 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1s1g h GLU 135 CO -0.56 0.96 0.43 -0.92 -1.16 0.00 0.00 179.01 177.76 1s1g h TYR 136 N 0.82 0.91 -0.44 4.33 3.20 -0.16 -1.88 116.97 123.75 1s1g h TYR 136 Ca 0.15 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1s1g h TYR 136 Cb 0.54 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1s1g h TYR 136 CO 0.04 0.61 0.24 -0.22 -1.64 0.00 0.00 178.16 177.19 1s1g h LYS 137 N 0.95 0.46 -0.27 1.82 3.64 -0.14 0.87 116.57 123.89 1s1g h LYS 137 Ca 0.25 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1s1g h LYS 137 Cb -0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1s1g h LYS 137 CO -0.05 0.30 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.93 1s1g h ASP 138 N 0.47 0.53 -0.46 4.20 5.19 -1.22 -0.90 116.42 124.23 1s1g h ASP 138 Ca 0.19 -0.37 -0.07 0.00 -0.62 0.00 0.00 57.03 56.15 1s1g h ASP 138 Cb 0.07 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1s1g h ASP 138 CO -0.12 0.77 0.02 0.03 -3.12 0.00 0.00 179.24 176.83 1s1g h ARG 139 N 0.27 0.86 -0.27 3.56 2.47 -1.14 0.57 114.38 120.71 1s1g h ARG 139 Ca 0.07 -0.23 -0.06 0.00 -1.26 0.00 0.00 59.98 58.50 1s1g h ARG 139 Cb 0.55 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 1s1g h ARG 139 CO 0.03 0.84 -0.06 -0.22 0.56 0.00 0.00 179.97 181.13 1s1g h LYS 140 N 0.80 0.51 -0.29 0.04 3.11 -0.77 -2.00 116.57 117.97 1s1g h LYS 140 Ca 0.16 -0.19 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1s1g h LYS 140 Cb 0.45 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 1s1g h LYS 140 CO 0.02 0.72 0.13 -0.09 -2.81 0.00 0.00 179.45 177.41 1s1g h ARG 141 N 0.27 0.43 -0.89 1.90 2.43 -0.90 -0.59 114.38 117.03 1s1g h ARG 141 Ca 0.07 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1s1g h ARG 141 Cb 0.52 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 1s1g h ARG 141 CO 0.02 0.43 0.58 1.49 -1.51 0.00 0.00 179.97 180.99 1s1g h GLU 142 N 0.32 0.99 -0.40 0.20 4.57 -0.86 -1.53 114.58 117.87 1s1g h GLU 142 Ca 0.10 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 1s1g h GLU 142 Cb 0.16 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1s1g h GLU 142 CO -0.01 0.65 -0.08 -0.97 -1.18 0.00 0.00 179.01 177.43 1s1g h ASN 143 N 1.02 0.75 0.15 1.04 -0.73 -0.95 -3.04 115.58 113.81 1s1g h ASN 143 Ca 0.38 -0.35 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 1s1g h ASN 143 Cb 0.19 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.57 1s1g h ASN 143 CO -0.14 0.93 -0.09 -0.07 -0.37 0.00 0.00 177.43 177.69 1s1g h LEU 144 N 0.56 0.00 -1.17 0.34 3.38 -0.12 -2.05 115.31 116.25 1s1g h LEU 144 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1s1g h LEU 144 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1s1g h LEU 144 CO 0.04 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.04 1s1g n GLU 145 N -4.09 1.74 -1.22 1.13 1.02 -0.86 -4.92 120.64 113.43 1s1g n GLU 145 Ca -0.03 -1.14 -0.20 0.00 -0.02 0.00 0.00 57.16 55.77 1s1g n GLU 145 Cb 0.18 -1.28 0.14 0.00 -0.02 0.00 0.00 31.44 30.46 1s1g n GLU 145 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1s1g n HIS 146 N 0.41 -3.96 -1.85 -0.32 8.25 -0.77 -5.10 115.22 111.88 1s1g n HIS 146 Ca 0.12 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 1s1g n HIS 146 Cb 0.28 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.69 1s1g n HIS 146 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59