#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f4p s ASP 4 N 0.00 5.29 0.15 1.67 1.11 -1.26 -4.96 116.67 118.67 2f4p s ASP 4 Ca 0.00 1.89 -0.01 0.00 0.18 0.00 0.00 52.55 54.61 2f4p s ASP 4 Cb 0.00 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 2f4p s ASP 4 CO 0.00 -1.50 1.34 0.40 1.18 0.00 0.00 175.17 176.59 2f4p h ILE 5 N 0.00 1.45 -3.46 0.77 2.04 -2.04 -3.46 117.51 112.80 2f4p h ILE 5 Ca -0.46 -2.53 -0.46 0.00 1.00 0.00 0.00 64.86 62.40 2f4p h ILE 5 Cb 1.23 2.44 -0.18 0.00 -0.74 0.00 0.00 36.82 39.58 2f4p h ILE 5 CO 0.55 0.75 -0.77 -0.36 0.00 0.00 0.00 178.15 178.32 2f4p s PHE 6 N -3.23 1.59 0.65 1.37 0.08 -1.26 -5.14 117.98 112.04 2f4p s PHE 6 Ca -0.04 -0.52 -0.14 0.00 0.12 0.00 0.00 56.93 56.35 2f4p s PHE 6 Cb 0.09 -0.81 -0.00 0.00 -0.57 0.00 0.00 43.02 41.73 2f4p s PHE 6 CO 0.85 0.23 1.09 -1.83 -0.10 0.00 0.00 175.22 175.45 2f4p s GLU 7 N -2.72 2.90 0.58 0.44 -1.05 -1.26 -5.00 118.70 112.58 2f4p s GLU 7 Ca 0.12 1.28 -0.18 0.00 -0.15 0.00 0.00 54.97 56.04 2f4p s GLU 7 Cb -0.05 -1.97 -0.04 0.00 -0.44 0.00 0.00 34.13 31.63 2f4p s GLU 7 CO 0.05 -1.16 1.13 1.03 0.95 0.00 0.00 175.26 177.26 2f4p s ARG 8 N -4.24 3.18 0.00 -4.83 0.52 -1.26 -4.90 118.95 107.41 2f4p s ARG 8 Ca 0.65 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 2f4p s ARG 8 Cb -0.18 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.30 2f4p s ARG 8 CO 0.43 -0.98 0.00 0.41 0.02 0.00 0.00 175.30 175.18 2f4p n GLY 9 N -0.02 1.22 3.66 -3.53 0.00 -1.26 -4.94 105.19 100.33 2f4p n GLY 9 Ca 0.11 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 2f4p n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f4p s SER 10 N -1.00 4.70 0.19 1.61 0.01 -0.08 -4.70 113.70 114.43 2f4p s SER 10 Ca 0.00 -0.50 -0.31 0.00 1.31 0.00 0.00 55.95 56.46 2f4p s SER 10 Cb 0.00 -0.96 -0.09 0.00 0.21 0.00 0.00 66.02 65.18 2f4p s SER 10 CO 0.00 0.05 1.45 -0.75 0.41 0.00 0.00 173.24 174.40 2f4p s LYS 11 N -3.28 4.28 0.43 12.44 2.47 -1.26 -0.82 119.74 133.99 2f4p s LYS 11 Ca 0.29 2.24 -0.22 0.00 -1.56 0.00 0.00 55.97 56.72 2f4p s LYS 11 Cb -0.08 -3.17 -0.10 0.00 -1.46 0.00 0.00 37.83 33.03 2f4p s LYS 11 CO 0.19 -0.46 0.99 0.20 0.16 0.00 0.00 175.35 176.44 2f4p s GLY 12 N 0.77 2.55 0.26 5.54 0.00 0.70 -4.88 107.32 112.25 2f4p s GLY 12 Ca 0.63 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 45.59 2f4p s GLY 12 CO 0.36 0.88 1.45 -0.45 0.00 0.00 0.00 173.10 175.34 2f4p s SER 13 N -1.93 6.63 0.50 1.64 0.15 -1.26 -4.78 113.70 114.64 2f4p s SER 13 Ca 0.61 2.70 0.33 0.00 0.70 0.00 0.00 55.95 60.29 2f4p s SER 13 Cb -0.15 -2.63 1.81 0.00 -1.71 0.00 0.00 66.02 63.34 2f4p s SER 13 CO 0.19 -0.72 2.02 0.77 1.20 0.00 0.00 173.24 176.71 2f4p h SER 14 N 4.93 0.00 0.89 5.45 4.64 -1.93 -1.15 113.55 126.37 2f4p h SER 14 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2f4p h SER 14 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2f4p h SER 14 CO 0.77 0.00 -0.12 0.44 -0.87 0.00 0.00 176.83 177.05 2f4p h ASP 15 N 0.00 0.00 0.00 4.97 3.32 -2.02 -3.34 116.42 119.35 2f4p h ASP 15 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2f4p h ASP 15 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2f4p h ASP 15 CO 0.00 0.12 -0.16 0.49 -1.72 0.00 0.00 179.24 177.97 2f4p n PHE 16 N -3.30 0.00 -4.13 4.55 3.72 -0.53 -4.95 117.46 112.81 2f4p n PHE 16 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2f4p n PHE 16 Cb 0.36 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.77 2f4p n PHE 16 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2f4p s PHE 17 N -1.11 0.70 -0.19 1.38 0.08 -0.65 -0.95 117.98 117.25 2f4p s PHE 17 Ca 0.00 -0.36 -0.07 0.00 0.12 0.00 0.00 56.93 56.62 2f4p s PHE 17 Cb 0.00 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 2f4p s PHE 17 CO 0.00 -0.04 0.05 0.99 -0.10 0.00 0.00 175.22 176.12 2f4p s THR 18 N -0.93 4.59 0.00 0.64 2.01 0.83 -4.41 115.64 118.37 2f4p s THR 18 Ca -0.05 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2f4p s THR 18 Cb -0.07 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2f4p s THR 18 CO 0.00 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 2f4p n GLY 19 N 3.76 -2.14 3.62 4.40 0.00 -1.26 -0.77 105.19 112.80 2f4p n GLY 19 Ca -0.17 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 2f4p n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f4p s ASN 20 N -3.62 6.66 -0.02 1.61 0.01 -1.26 -4.87 114.94 113.45 2f4p s ASN 20 Ca 0.00 0.69 0.03 0.00 -0.71 0.00 0.00 52.86 52.87 2f4p s ASN 20 Cb 0.00 -2.39 -0.00 0.00 0.41 0.00 0.00 41.25 39.26 2f4p s ASN 20 CO 0.00 -0.56 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.23 2f4p s VAL 21 N 2.86 0.87 -0.17 1.60 1.01 -1.26 -2.26 120.40 123.06 2f4p s VAL 21 Ca 0.31 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 2f4p s VAL 21 Cb -0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2f4p s VAL 21 CO 0.11 0.26 -0.11 0.26 0.00 0.00 0.00 175.10 175.62 2f4p s TRP 22 N -0.06 2.86 -0.12 5.22 0.52 -0.04 -0.21 118.94 127.10 2f4p s TRP 22 Ca 0.01 -0.85 0.02 0.00 0.02 0.00 0.00 56.10 55.30 2f4p s TRP 22 Cb -0.06 -1.94 -0.00 0.00 -1.15 0.00 0.00 33.47 30.31 2f4p s TRP 22 CO 0.00 -0.39 -0.19 0.08 0.02 0.00 0.00 176.95 176.48 2f4p s VAL 23 N 0.83 2.49 0.00 4.03 1.01 0.00 -0.89 120.40 127.88 2f4p s VAL 23 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2f4p s VAL 23 Cb -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2f4p s VAL 23 CO 0.01 0.54 0.00 1.17 0.00 0.00 0.00 175.10 176.81 2f4p n LYS 24 N 3.69 3.99 0.00 2.72 4.81 0.60 -0.90 118.16 133.07 2f4p n LYS 24 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 2f4p n LYS 24 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 2f4p n LYS 24 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2f4p n LEU 26 N 0.00 0.00 -3.81 3.14 4.77 0.87 -0.30 117.00 121.67 2f4p n LEU 26 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2f4p n LEU 26 Cb 0.00 0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.12 2f4p n LEU 26 CO 0.00 -0.18 -0.38 -0.69 -1.33 0.00 0.00 177.39 174.81 2f4p s VAL 27 N -1.38 0.99 -0.40 4.08 1.01 -0.14 -4.95 120.40 119.60 2f4p s VAL 27 Ca 0.00 -1.02 0.23 0.00 0.00 0.00 0.00 61.98 61.19 2f4p s VAL 27 Cb 0.00 -1.48 0.19 0.00 0.00 0.00 0.00 36.38 35.10 2f4p s VAL 27 CO 0.00 -0.29 1.40 0.00 0.00 0.00 0.00 175.10 176.21 2f4p h THR 28 N 6.56 0.00 -6.36 3.92 1.03 -1.88 -1.15 112.91 115.03 2f4p h THR 28 Ca -0.16 -0.92 -0.47 0.00 -0.01 0.00 0.00 66.41 64.84 2f4p h THR 28 Cb 1.08 1.72 -0.02 0.00 -1.07 0.00 0.00 68.15 69.85 2f4p h THR 28 CO 0.40 0.00 -0.87 -0.67 -0.01 0.00 0.00 175.52 174.37 2f4p n ASP 29 N -2.82 -0.64 0.14 0.00 2.03 -1.26 -4.86 116.55 109.14 2f4p n ASP 29 Ca 0.03 -0.94 0.06 0.00 0.52 0.00 0.00 54.79 54.45 2f4p n ASP 29 Cb 0.52 -3.39 0.52 0.00 -0.72 0.00 0.00 41.12 38.05 2f4p n ASP 29 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2f4p h GLU 30 N -1.85 0.25 -0.10 -0.67 4.81 -1.95 -1.41 114.58 113.66 2f4p h GLU 30 Ca -0.62 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2f4p h GLU 30 Cb 1.37 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2f4p h GLU 30 CO 0.61 0.19 0.00 0.09 -0.73 0.00 0.00 179.01 179.16 2f4p n ASN 31 N -4.48 1.97 0.00 1.04 3.02 -1.26 -4.96 115.26 110.59 2f4p n ASN 31 Ca -0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2f4p n ASN 31 Cb 0.10 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2f4p n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f4p n GLY 32 N 1.22 0.35 0.27 7.41 0.00 -0.53 -4.93 105.19 108.97 2f4p n GLY 32 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 2f4p n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2f4p h VAL 33 N 0.00 1.21 0.00 1.61 2.07 -1.93 -3.15 116.25 116.06 2f4p h VAL 33 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2f4p h VAL 33 Cb 0.31 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2f4p h VAL 33 CO 0.00 0.25 -1.20 0.49 0.02 0.00 0.00 177.57 177.13 2f4p n PHE 34 N -4.51 0.58 -3.30 1.57 3.72 -1.26 -4.96 117.46 109.30 2f4p n PHE 34 Ca 0.04 0.17 -0.23 0.00 -0.05 0.00 0.00 57.45 57.38 2f4p n PHE 34 Cb 0.12 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 2f4p n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2f4p n ASN 35 N -2.40 -4.05 -3.72 4.37 5.15 -1.19 -4.94 115.26 108.48 2f4p n ASN 35 Ca -0.00 -0.37 -0.12 0.00 -0.60 0.00 0.00 54.58 53.49 2f4p n ASN 35 Cb 0.52 -3.34 -0.11 0.00 -0.53 0.00 0.00 39.78 36.33 2f4p n ASN 35 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2f4p s THR 36 N -2.96 -0.01 0.18 -0.44 2.01 -1.26 -2.05 115.64 111.11 2f4p s THR 36 Ca 0.38 0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.52 2f4p s THR 36 Cb -0.20 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2f4p s THR 36 CO 0.47 0.02 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.18 2f4p s GLN 37 N 0.75 1.91 -0.03 4.92 -0.21 -0.74 -4.48 119.66 121.79 2f4p s GLN 37 Ca -0.04 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.01 2f4p s GLN 37 Cb -0.05 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 31.90 2f4p s GLN 37 CO -0.05 0.43 0.00 0.08 -2.12 0.00 0.00 175.29 173.63 2f4p s VAL 38 N -1.67 0.15 0.15 1.09 1.01 -0.43 -0.76 120.40 119.95 2f4p s VAL 38 Ca 0.23 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.34 2f4p s VAL 38 Cb -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2f4p s VAL 38 CO 0.14 0.13 -0.08 -0.72 0.00 0.00 0.00 175.10 174.56 2f4p s TYR 39 N 0.95 1.27 -0.05 5.22 -0.85 -0.12 -0.09 117.35 123.68 2f4p s TYR 39 Ca -0.09 -0.80 0.06 0.00 -0.52 0.00 0.00 57.07 55.72 2f4p s TYR 39 Cb -0.13 -0.67 -0.02 0.00 0.38 0.00 0.00 41.96 41.53 2f4p s TYR 39 CO -0.02 0.04 -0.23 0.34 -1.52 0.00 0.00 175.55 174.16 2f4p s ASP 40 N -3.18 3.22 -0.02 -0.18 2.15 0.59 -0.21 116.67 119.06 2f4p s ASP 40 Ca 0.18 -0.45 0.03 0.00 0.43 0.00 0.00 52.55 52.73 2f4p s ASP 40 Cb 0.03 -0.73 -0.00 0.00 -0.30 0.00 0.00 42.92 41.93 2f4p s ASP 40 CO 0.01 0.28 -0.09 0.54 -0.17 0.00 0.00 175.17 175.74 2f4p s VAL 41 N -0.34 0.75 -0.20 1.11 0.11 0.07 -0.29 120.40 121.61 2f4p s VAL 41 Ca 0.02 -0.37 -0.00 0.00 -2.93 0.00 0.00 61.98 58.70 2f4p s VAL 41 Cb -0.12 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2f4p s VAL 41 CO 0.02 0.23 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.18 2f4p s VAL 42 N 0.03 2.43 -0.27 2.04 1.01 -0.06 -1.63 120.40 123.95 2f4p s VAL 42 Ca -0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2f4p s VAL 42 Cb -0.06 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2f4p s VAL 42 CO 0.00 0.46 0.18 -0.36 0.00 0.00 0.00 175.10 175.39 2f4p s PHE 43 N 1.33 3.25 0.75 5.22 0.40 0.07 -0.86 117.98 128.14 2f4p s PHE 43 Ca 0.04 0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.42 2f4p s PHE 43 Cb -0.14 -2.35 0.04 0.00 0.51 0.00 0.00 43.02 41.08 2f4p s PHE 43 CO -0.10 -0.09 1.08 -1.21 0.70 0.00 0.00 175.22 175.60 2f4p s GLU 44 N 1.54 2.48 0.05 0.44 2.02 -0.96 -1.47 118.70 122.81 2f4p s GLU 44 Ca 0.07 1.03 -0.37 0.00 0.02 0.00 0.00 54.97 55.72 2f4p s GLU 44 Cb -0.15 -1.93 -0.17 0.00 0.10 0.00 0.00 34.13 31.98 2f4p s GLU 44 CO 0.09 -1.44 1.37 -2.30 0.02 0.00 0.00 175.26 172.99 2f4p n PRO 45 N -3.37 1.12 0.00 0.39 -0.02 -1.26 -0.90 135.00 130.96 2f4p n PRO 45 Ca 0.08 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2f4p n PRO 45 Cb 0.54 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2f4p n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f4p n GLY 46 N 2.64 2.64 3.83 -1.23 0.00 -0.39 -4.92 105.19 107.76 2f4p n GLY 46 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2f4p n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f4p s ALA 47 N -2.12 3.16 0.13 4.61 0.00 -0.08 -4.81 121.76 122.65 2f4p s ALA 47 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.96 2f4p s ALA 47 Cb 0.00 -2.99 0.07 0.00 0.00 0.00 0.00 23.12 20.20 2f4p s ALA 47 CO 0.00 0.20 0.74 -0.98 0.00 0.00 0.00 175.76 175.71 2f4p s ARG 48 N -3.14 1.21 0.82 0.00 3.03 0.05 -0.86 118.95 120.06 2f4p s ARG 48 Ca 0.59 -0.51 -0.11 0.00 2.03 0.00 0.00 55.73 57.73 2f4p s ARG 48 Cb -0.09 0.51 0.08 0.00 -1.03 0.00 0.00 34.95 34.42 2f4p s ARG 48 CO 0.15 -0.54 1.10 0.95 -1.13 0.00 0.00 175.30 175.83 2f4p s THR 49 N -3.54 3.03 0.91 4.99 -4.23 -0.27 -0.12 115.64 116.41 2f4p s THR 49 Ca 0.05 0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 2f4p s THR 49 Cb -0.02 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.20 2f4p s THR 49 CO -0.07 -0.44 1.10 -1.00 -0.54 0.00 0.00 174.62 173.67 2f4p s HIS 50 N -2.87 2.36 0.28 3.99 0.09 -0.13 -4.46 115.29 114.56 2f4p s HIS 50 Ca 0.62 1.10 -0.30 0.00 -0.00 0.00 0.00 55.06 56.49 2f4p s HIS 50 Cb -0.18 -3.22 -0.11 0.00 -0.00 0.00 0.00 32.58 29.08 2f4p s HIS 50 CO 0.57 -2.45 1.52 -1.58 -0.00 0.00 0.00 174.74 172.80 2f4p s TRP 51 N -3.03 2.86 0.34 1.40 0.52 -0.25 -4.62 118.94 116.17 2f4p s TRP 51 Ca 0.64 0.92 -0.18 0.00 0.02 0.00 0.00 56.10 57.50 2f4p s TRP 51 Cb -0.17 -3.95 0.04 0.00 -1.15 0.00 0.00 33.47 28.23 2f4p s TRP 51 CO 0.56 -3.13 0.75 -3.38 0.02 0.00 0.00 176.95 171.77 2f4p s HIS 52 N -0.10 0.00 0.09 -1.98 -3.43 -0.54 -0.05 115.29 109.29 2f4p s HIS 52 Ca 0.61 -0.57 -0.04 0.00 -0.80 0.00 0.00 55.06 54.26 2f4p s HIS 52 Cb -0.45 0.76 -0.03 0.00 -1.43 0.00 0.00 32.58 31.43 2f4p s HIS 52 CO 0.47 -1.41 0.09 -1.54 -2.00 0.00 0.00 174.74 170.35 2f4p s SER 53 N -3.00 0.29 -0.08 7.38 1.04 -0.27 -1.31 113.70 117.75 2f4p s SER 53 Ca 0.14 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.67 2f4p s SER 53 Cb -0.05 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2f4p s SER 53 CO 0.10 -0.70 -0.18 -1.00 0.98 0.00 0.00 173.24 172.43 2f4p s HIS 54 N -3.94 1.98 0.37 5.02 3.76 -1.26 -0.56 115.29 120.65 2f4p s HIS 54 Ca 0.12 -0.75 0.10 0.00 -0.15 0.00 0.00 55.06 54.38 2f4p s HIS 54 Cb 0.06 -1.36 0.85 0.00 1.11 0.00 0.00 32.58 33.24 2f4p s HIS 54 CO -0.06 -0.32 1.88 -1.35 -0.85 0.00 0.00 174.74 174.04 2f4p h PRO 55 N 6.73 0.63 -6.60 8.40 0.11 -1.77 0.34 132.00 139.84 2f4p h PRO 55 Ca -0.26 -0.04 -0.51 0.00 0.11 0.00 0.00 66.00 65.30 2f4p h PRO 55 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2f4p h PRO 55 CO 0.47 0.42 -0.07 0.20 -0.21 0.00 0.00 178.00 178.81 2f4p s GLY 56 N -3.69 1.80 0.45 -0.55 0.00 -1.26 -4.08 107.32 99.98 2f4p s GLY 56 Ca -0.10 -0.51 -0.23 0.00 0.00 0.00 0.00 44.72 43.88 2f4p s GLY 56 CO 0.78 -0.38 1.17 -0.32 0.00 0.00 0.00 173.10 174.35 2f4p s GLY 57 N -3.31 2.80 0.07 0.20 0.00 -1.26 -4.34 107.32 101.48 2f4p s GLY 57 Ca 0.45 0.95 0.05 0.00 0.00 0.00 0.00 44.72 46.17 2f4p s GLY 57 CO 0.32 1.43 -0.04 1.20 0.00 0.00 0.00 173.10 176.01 2f4p s GLN 58 N -2.60 2.46 -0.10 2.90 -1.52 -0.09 -1.45 119.66 119.26 2f4p s GLN 58 Ca 0.62 -0.84 0.02 0.00 -1.95 0.00 0.00 55.36 53.21 2f4p s GLN 58 Cb -0.29 -2.48 0.01 0.00 -0.22 0.00 0.00 33.01 30.03 2f4p s GLN 58 CO 0.36 0.55 -0.15 0.42 -0.25 0.00 0.00 175.29 176.22 2f4p s ILE 59 N -1.20 1.50 -0.08 1.08 1.01 -0.01 0.38 121.20 123.87 2f4p s ILE 59 Ca 0.22 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 2f4p s ILE 59 Cb -0.11 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2f4p s ILE 59 CO 0.14 0.44 -0.05 -0.76 0.00 0.00 0.00 174.94 174.71 2f4p s LEU 60 N 0.92 3.26 -0.23 2.97 1.43 0.19 -0.49 118.68 126.72 2f4p s LEU 60 Ca -0.08 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 2f4p s LEU 60 Cb -0.15 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.40 2f4p s LEU 60 CO -0.00 0.34 -0.09 -0.63 0.23 0.00 0.00 176.35 176.20 2f4p s ILE 61 N -0.69 1.78 -0.13 -0.59 1.01 0.13 -1.23 121.20 121.49 2f4p s ILE 61 Ca 0.11 -1.31 -0.28 0.00 0.00 0.00 0.00 60.65 59.16 2f4p s ILE 61 Cb -0.11 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 2f4p s ILE 61 CO 0.02 -0.01 0.95 -0.69 0.00 0.00 0.00 174.94 175.21 2f4p s VAL 62 N 1.29 4.82 -0.07 2.92 1.01 -0.24 -0.44 120.40 129.70 2f4p s VAL 62 Ca -0.06 1.90 0.13 0.00 0.00 0.00 0.00 61.98 63.96 2f4p s VAL 62 Cb -0.19 -4.25 -0.19 0.00 0.00 0.00 0.00 36.38 31.75 2f4p s VAL 62 CO -0.06 0.02 0.19 0.35 0.00 0.00 0.00 175.10 175.59 2f4p n THR 63 N 4.59 0.38 -3.57 3.92 -2.24 -0.06 -0.55 114.28 116.75 2f4p n THR 63 Ca 0.07 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 2f4p n THR 63 Cb 0.49 -0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 2f4p n THR 63 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2f4p s ARG 64 N -2.68 0.97 1.22 -0.78 3.52 -1.00 -4.78 118.95 115.42 2f4p s ARG 64 Ca -0.06 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 2f4p s ARG 64 Cb 0.07 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 33.92 2f4p s ARG 64 CO 0.56 -0.27 0.00 0.41 -0.81 0.00 0.00 175.30 175.18 2f4p n GLY 65 N 1.28 -0.32 3.00 8.12 0.00 -1.26 -0.81 105.19 115.20 2f4p n GLY 65 Ca -0.18 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 2f4p n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f4p s LYS 66 N 0.00 0.20 0.00 1.61 2.20 -0.47 -3.68 119.74 119.59 2f4p s LYS 66 Ca 0.00 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2f4p s LYS 66 Cb 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 2f4p s LYS 66 CO 0.00 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2f4p n GLY 67 N 2.68 2.12 3.04 5.54 0.00 -0.72 -1.84 105.19 116.01 2f4p n GLY 67 Ca -0.15 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 2f4p n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f4p s PHE 68 N -7.41 -0.05 -0.06 1.61 0.40 0.27 -0.88 117.98 111.86 2f4p s PHE 68 Ca 0.00 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2f4p s PHE 68 Cb 0.00 -0.00 0.01 0.00 0.51 0.00 0.00 43.02 43.53 2f4p s PHE 68 CO 0.00 -0.15 -0.15 -0.47 0.70 0.00 0.00 175.22 175.15 2f4p s TYR 69 N -0.54 1.67 -0.02 0.36 5.04 -0.40 -1.92 117.35 121.54 2f4p s TYR 69 Ca -0.06 -0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 53.98 2f4p s TYR 69 Cb -0.04 -1.17 0.02 0.00 0.35 0.00 0.00 41.96 41.13 2f4p s TYR 69 CO 0.01 -0.26 0.03 -1.14 -1.34 0.00 0.00 175.55 172.85 2f4p s GLN 70 N 0.42 -0.03 0.08 4.97 0.74 -0.59 0.00 119.66 125.26 2f4p s GLN 70 Ca -0.12 0.16 -0.09 0.00 0.05 0.00 0.00 55.36 55.36 2f4p s GLN 70 Cb -0.15 -0.20 -0.06 0.00 1.10 0.00 0.00 33.01 33.71 2f4p s GLN 70 CO 0.04 -0.14 0.40 -1.21 -0.55 0.00 0.00 175.29 173.83 2f4p s GLU 71 N 0.87 3.74 0.15 1.67 2.02 -1.26 -1.34 118.70 124.55 2f4p s GLU 71 Ca -0.07 0.14 -0.34 0.00 0.02 0.00 0.00 54.97 54.72 2f4p s GLU 71 Cb -0.10 -2.98 -0.14 0.00 0.10 0.00 0.00 34.13 31.01 2f4p s GLU 71 CO -0.03 0.55 1.57 -2.13 0.02 0.00 0.00 175.26 175.24 2f4p n ARG 72 N 0.82 2.10 -0.59 1.61 0.63 0.01 -1.34 116.66 119.89 2f4p n ARG 72 Ca -0.07 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 2f4p n ARG 72 Cb 0.52 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.91 2f4p n ARG 72 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2f4p n GLY 73 N 3.38 1.63 3.46 5.14 0.00 -1.26 -5.00 105.19 112.54 2f4p n GLY 73 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2f4p n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f4p s LYS 74 N -0.07 1.66 0.50 1.61 -0.14 -0.45 -5.11 119.74 117.74 2f4p s LYS 74 Ca 0.00 -1.57 -0.23 0.00 -1.36 0.00 0.00 55.97 52.81 2f4p s LYS 74 Cb 0.00 -1.87 -0.06 0.00 -1.68 0.00 0.00 37.83 34.22 2f4p s LYS 74 CO 0.00 0.38 1.30 -2.14 -0.76 0.00 0.00 175.35 174.13 2f4p s PRO 75 N -3.00 3.44 0.61 -1.68 0.02 -1.26 -4.50 135.00 128.64 2f4p s PRO 75 Ca 0.25 2.10 -0.18 0.00 0.02 0.00 0.00 61.00 63.18 2f4p s PRO 75 Cb -0.07 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 32.05 2f4p s PRO 75 CO 0.12 -0.91 1.18 0.00 -0.33 0.00 0.00 177.00 177.07 2f4p s ALA 76 N -1.37 2.50 -0.13 -1.55 0.00 -1.26 -4.66 121.76 115.29 2f4p s ALA 76 Ca 0.67 0.88 -0.03 0.00 0.00 0.00 0.00 51.96 53.49 2f4p s ALA 76 Cb -0.37 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 2f4p s ALA 76 CO 0.44 -1.22 -0.03 0.50 0.00 0.00 0.00 175.76 175.45 2f4p s ARG 77 N -3.53 3.39 0.09 0.00 3.52 0.10 -4.97 118.95 117.56 2f4p s ARG 77 Ca 0.74 -0.50 -0.26 0.00 -0.13 0.00 0.00 55.73 55.58 2f4p s ARG 77 Cb -0.27 -2.84 -0.06 0.00 -1.56 0.00 0.00 34.95 30.21 2f4p s ARG 77 CO 0.35 0.41 0.82 0.42 -0.81 0.00 0.00 175.30 176.48 2f4p s ILE 78 N -0.08 4.59 -0.07 4.11 1.01 -1.26 -1.27 121.20 128.22 2f4p s ILE 78 Ca 0.02 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.45 2f4p s ILE 78 Cb -0.13 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 2f4p s ILE 78 CO 0.02 0.39 -0.13 -0.76 0.00 0.00 0.00 174.94 174.46 2f4p s LEU 79 N -0.29 2.79 0.24 2.97 1.43 -0.06 -4.95 118.68 120.81 2f4p s LEU 79 Ca 0.40 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2f4p s LEU 79 Cb -0.22 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2f4p s LEU 79 CO 0.25 0.30 0.12 -1.59 0.23 0.00 0.00 176.35 175.66 2f4p s LYS 80 N -0.46 1.37 0.14 1.70 -2.85 -1.26 -1.75 119.74 116.62 2f4p s LYS 80 Ca 0.06 -1.74 -0.34 0.00 -1.00 0.00 0.00 55.97 52.95 2f4p s LYS 80 Cb -0.12 -0.06 -0.16 0.00 -2.06 0.00 0.00 37.83 35.43 2f4p s LYS 80 CO 0.02 -0.35 1.22 1.17 0.10 0.00 0.00 175.35 177.51 2f4p n LYS 81 N -0.41 1.13 0.00 1.78 4.81 -1.24 -1.24 118.16 122.98 2f4p n LYS 81 Ca 0.01 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 2f4p n LYS 81 Cb 0.66 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2f4p n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2f4p n GLY 82 N 2.19 3.29 3.77 3.14 0.00 0.28 -4.99 105.19 112.86 2f4p n GLY 82 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2f4p n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2f4p s ASP 83 N -0.61 6.42 -0.14 1.61 1.01 -0.37 -4.75 116.67 119.84 2f4p s ASP 83 Ca 0.00 2.64 0.02 0.00 0.71 0.00 0.00 52.55 55.92 2f4p s ASP 83 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.30 2f4p s ASP 83 CO 0.00 -0.77 -0.21 -0.69 0.21 0.00 0.00 175.17 173.71 2f4p s VAL 84 N -1.25 1.98 -0.21 -1.27 1.01 -1.26 -1.08 120.40 118.32 2f4p s VAL 84 Ca 0.55 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2f4p s VAL 84 Cb -0.38 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2f4p s VAL 84 CO 0.49 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 175.37 2f4p s VAL 85 N 0.92 3.22 -0.41 2.92 1.01 -0.36 -4.96 120.40 122.73 2f4p s VAL 85 Ca -0.05 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 2f4p s VAL 85 Cb -0.15 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.80 2f4p s VAL 85 CO -0.04 0.44 0.33 -1.61 0.00 0.00 0.00 175.10 174.23 2f4p s GLU 86 N 1.41 3.00 -0.44 2.72 2.02 -1.26 -0.64 118.70 125.51 2f4p s GLU 86 Ca 0.05 -0.98 -0.15 0.00 0.02 0.00 0.00 54.97 53.91 2f4p s GLU 86 Cb -0.14 -3.98 0.05 0.00 0.10 0.00 0.00 34.13 30.15 2f4p s GLU 86 CO -0.04 -0.78 0.34 0.42 0.02 0.00 0.00 175.26 175.22 2f4p s ILE 87 N 1.77 5.16 0.64 -1.63 1.01 0.16 -5.00 121.20 123.31 2f4p s ILE 87 Ca 0.06 -0.90 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 2f4p s ILE 87 Cb -0.19 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 2f4p s ILE 87 CO 0.11 -0.44 1.16 -2.84 0.00 0.00 0.00 174.94 172.92 2f4p s PRO 88 N 1.64 2.77 0.11 2.79 0.02 -1.26 -0.91 135.00 140.16 2f4p s PRO 88 Ca 0.04 1.61 -0.35 0.00 0.02 0.00 0.00 61.00 62.32 2f4p s PRO 88 Cb -0.22 -1.93 -0.17 0.00 0.02 0.00 0.00 34.50 32.21 2f4p s PRO 88 CO 0.08 -1.31 1.17 -2.30 -0.33 0.00 0.00 177.00 174.31 2f4p n PRO 89 N -2.12 0.89 -0.63 5.54 -0.02 -1.26 -2.46 135.00 134.93 2f4p n PRO 89 Ca 0.12 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2f4p n PRO 89 Cb 0.51 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2f4p n PRO 89 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2f4p n ASN 90 N 2.10 0.00 -4.71 2.55 3.02 0.12 -4.97 115.26 113.37 2f4p n ASN 90 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 2f4p n ASN 90 Cb 0.20 -0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 38.56 2f4p n ASN 90 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2f4p s VAL 91 N -2.82 3.82 -0.06 2.41 1.01 -1.03 -4.81 120.40 118.92 2f4p s VAL 91 Ca 0.00 1.28 -0.26 0.00 0.00 0.00 0.00 61.98 63.01 2f4p s VAL 91 Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2f4p s VAL 91 CO 0.00 0.08 0.80 -0.69 0.00 0.00 0.00 175.10 175.29 2f4p s VAL 92 N 1.34 4.97 0.25 2.92 1.01 -1.26 -4.44 120.40 125.19 2f4p s VAL 92 Ca 0.61 1.65 -0.19 0.00 0.00 0.00 0.00 61.98 64.05 2f4p s VAL 92 Cb -0.31 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2f4p s VAL 92 CO 0.28 0.20 0.62 -1.38 0.00 0.00 0.00 175.10 174.82 2f4p s HIS 93 N 1.03 -0.10 0.13 5.22 -3.43 -0.42 -0.81 115.29 116.90 2f4p s HIS 93 Ca 0.42 -0.30 0.01 0.00 -0.80 0.00 0.00 55.06 54.40 2f4p s HIS 93 Cb -0.19 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.45 2f4p s HIS 93 CO 0.20 -1.09 -0.03 1.67 -2.00 0.00 0.00 174.74 173.50 2f4p s TRP 94 N -3.91 1.02 0.08 0.38 1.48 -0.45 -1.46 118.94 116.08 2f4p s TRP 94 Ca 0.12 -0.99 -0.05 0.00 -1.06 0.00 0.00 56.10 54.12 2f4p s TRP 94 Cb -0.03 -0.59 -0.02 0.00 -1.16 0.00 0.00 33.47 31.67 2f4p s TRP 94 CO 0.04 -0.21 0.10 -3.38 -4.06 0.00 0.00 176.95 169.43 2f4p s HIS 95 N -3.68 0.36 -1.85 1.66 -3.43 -1.26 -1.55 115.29 105.55 2f4p s HIS 95 Ca 0.18 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 53.60 2f4p s HIS 95 Cb 0.06 -0.22 0.00 0.00 -1.43 0.00 0.00 32.58 30.99 2f4p s HIS 95 CO -0.01 -0.49 0.00 0.41 -2.00 0.00 0.00 174.74 172.66 2f4p n GLY 96 N -0.00 -1.72 3.84 -1.38 0.00 -0.81 -1.11 105.19 104.00 2f4p n GLY 96 Ca -0.14 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2f4p n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f4p s ALA 97 N -1.89 2.59 0.87 4.61 0.00 -0.04 -0.57 121.76 127.33 2f4p s ALA 97 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2f4p s ALA 97 Cb 0.00 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 20.14 2f4p s ALA 97 CO 0.00 -1.38 1.09 0.00 0.00 0.00 0.00 175.76 175.47 2f4p s ALA 98 N -3.20 1.68 0.56 0.00 0.00 -0.77 -4.31 121.76 115.72 2f4p s ALA 98 Ca 0.59 0.06 0.35 0.00 0.00 0.00 0.00 51.96 52.96 2f4p s ALA 98 Cb -0.13 -3.23 1.97 0.00 0.00 0.00 0.00 23.12 21.73 2f4p s ALA 98 CO 0.54 -2.25 2.26 -1.35 0.00 0.00 0.00 175.76 174.95 2f4p h PRO 99 N -1.48 0.00 -0.00 0.00 0.11 -1.92 -1.01 132.00 127.70 2f4p h PRO 99 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2f4p h PRO 99 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2f4p h PRO 99 CO 0.53 0.02 -0.05 -0.40 -0.21 0.00 0.00 178.00 177.89 2f4p n ASP 100 N -3.48 0.98 -3.63 -2.05 5.75 -1.26 -3.94 116.55 108.93 2f4p n ASP 100 Ca -0.03 -0.99 -0.12 0.00 -0.01 0.00 0.00 54.79 53.64 2f4p n ASP 100 Cb 0.12 0.29 -0.07 0.00 -1.03 0.00 0.00 41.12 40.43 2f4p n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2f4p s GLU 101 N -0.62 0.72 0.75 0.11 2.12 -1.21 -4.96 118.70 115.62 2f4p s GLU 101 Ca 0.04 0.81 -0.12 0.00 0.36 0.00 0.00 54.97 56.05 2f4p s GLU 101 Cb 0.03 0.35 0.05 0.00 0.26 0.00 0.00 34.13 34.82 2f4p s GLU 101 CO 0.08 -0.10 1.12 -1.83 -0.54 0.00 0.00 175.26 173.99 2f4p s GLU 102 N 0.23 2.24 -0.08 4.30 -1.05 -1.26 -2.77 118.70 120.30 2f4p s GLU 102 Ca 0.01 1.35 0.02 0.00 -0.15 0.00 0.00 54.97 56.19 2f4p s GLU 102 Cb -0.05 -1.88 0.01 0.00 -0.44 0.00 0.00 34.13 31.77 2f4p s GLU 102 CO -0.01 -1.68 -0.12 -1.17 0.95 0.00 0.00 175.26 173.22 2f4p s LEU 103 N -5.61 1.59 -0.11 1.83 2.96 -0.54 -1.37 118.68 117.42 2f4p s LEU 103 Ca 0.65 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 2f4p s LEU 103 Cb -0.20 -0.89 -0.00 0.00 0.50 0.00 0.00 46.19 45.60 2f4p s LEU 103 CO 0.51 0.01 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.63 2f4p s VAL 104 N 0.88 2.17 0.05 1.68 1.01 0.01 -0.75 120.40 125.46 2f4p s VAL 104 Ca -0.10 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 2f4p s VAL 104 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2f4p s VAL 104 CO 0.01 0.55 0.26 -1.38 0.00 0.00 0.00 175.10 174.55 2f4p s HIS 105 N 0.42 -0.03 0.23 5.22 -3.43 -0.64 -0.88 115.29 116.18 2f4p s HIS 105 Ca -0.16 -0.19 -0.22 0.00 -0.80 0.00 0.00 55.06 53.69 2f4p s HIS 105 Cb -0.17 0.05 -0.09 0.00 -1.43 0.00 0.00 32.58 30.94 2f4p s HIS 105 CO 0.07 -0.50 0.78 0.42 -2.00 0.00 0.00 174.74 173.50 2f4p s ILE 106 N -2.83 4.46 -0.03 -5.38 1.01 0.42 -0.75 121.20 118.11 2f4p s ILE 106 Ca -0.03 1.46 0.06 0.00 0.00 0.00 0.00 60.65 62.14 2f4p s ILE 106 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 2f4p s ILE 106 CO -0.05 0.25 -0.19 -0.83 0.00 0.00 0.00 174.94 174.11 2f4p s GLY 107 N -1.56 0.97 -0.20 6.18 0.00 0.71 -0.70 107.32 112.72 2f4p s GLY 107 Ca 0.43 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.35 2f4p s GLY 107 CO 0.22 -0.60 -0.13 -0.42 0.00 0.00 0.00 173.10 172.17 2f4p s ILE 108 N -0.30 1.84 -0.28 0.90 1.01 0.36 -0.94 121.20 123.78 2f4p s ILE 108 Ca 0.04 -1.07 -0.17 0.00 0.00 0.00 0.00 60.65 59.44 2f4p s ILE 108 Cb -0.09 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 2f4p s ILE 108 CO 0.00 0.25 0.49 -0.44 0.00 0.00 0.00 174.94 175.25 2f4p s SER 109 N 1.32 6.37 0.24 3.58 0.01 0.06 -0.83 113.70 124.45 2f4p s SER 109 Ca -0.01 0.34 0.06 0.00 1.31 0.00 0.00 55.95 57.65 2f4p s SER 109 Cb -0.16 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2f4p s SER 109 CO -0.09 -0.32 0.29 0.42 0.41 0.00 0.00 173.24 173.95 2f4p s THR 110 N 2.29 4.97 -1.29 1.44 -4.23 -0.53 -1.79 115.64 116.51 2f4p s THR 110 Ca 0.20 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 2f4p s THR 110 Cb -0.16 -3.68 -0.00 0.00 1.34 0.00 0.00 72.50 70.00 2f4p s THR 110 CO 0.10 -0.31 0.68 0.00 -0.54 0.00 0.00 174.62 174.55 2f4p n GLN 111 N -1.25 -4.06 -0.23 3.99 1.13 -0.98 -4.02 117.38 111.97 2f4p n GLN 111 Ca -0.08 0.58 0.01 0.00 -1.94 0.00 0.00 57.00 55.56 2f4p n GLN 111 Cb 0.57 -4.98 0.25 0.00 0.11 0.00 0.00 30.24 26.19 2f4p n GLN 111 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2f4p h VAL 112 N -1.82 1.18 -0.03 5.09 2.07 -1.65 -1.89 116.25 119.18 2f4p h VAL 112 Ca -0.62 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 66.56 2f4p h VAL 112 Cb 1.36 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2f4p h VAL 112 CO 0.56 0.19 0.15 1.12 0.02 0.00 0.00 177.57 179.60 2f4p h HIS 113 N 1.02 0.00 0.00 1.57 2.07 -1.88 -0.43 115.15 117.49 2f4p h HIS 113 Ca 0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 2f4p h HIS 113 Cb -0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.90 2f4p h HIS 113 CO -0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 2f4p h LEU 114 N 0.00 0.00 0.00 6.12 3.38 -1.70 -3.48 115.31 119.64 2f4p h LEU 114 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2f4p h LEU 114 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2f4p h LEU 114 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2f4p n GLY 115 N -0.24 2.98 3.86 0.83 0.00 -0.17 -4.82 105.19 107.64 2f4p n GLY 115 Ca 0.00 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2f4p n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f4p s PRO 116 N -2.00 1.82 0.49 1.61 0.04 -1.26 -4.40 135.00 131.30 2f4p s PRO 116 Ca 0.00 0.22 -0.24 0.00 0.04 0.00 0.00 61.00 61.02 2f4p s PRO 116 Cb 0.00 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2f4p s PRO 116 CO 0.00 -1.71 1.35 0.00 0.04 0.00 0.00 177.00 176.68 2f4p n ALA 117 N -3.42 1.63 -2.94 8.56 0.00 -1.26 -4.43 120.51 118.64 2f4p n ALA 117 Ca 0.07 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 2f4p n ALA 117 Cb 0.60 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.59 2f4p n ALA 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2f4p s GLU 118 N -2.58 3.53 -0.12 0.00 2.56 0.27 -4.96 118.70 117.41 2f4p s GLU 118 Ca 0.66 -0.58 -0.11 0.00 0.00 0.00 0.00 54.97 54.94 2f4p s GLU 118 Cb -0.45 -3.46 -0.05 0.00 2.00 0.00 0.00 34.13 32.18 2f4p s GLU 118 CO 0.54 -0.29 0.24 -1.58 -0.56 0.00 0.00 175.26 173.61 2f4p s TRP 119 N 1.62 3.56 -0.02 5.30 0.52 -1.26 -1.12 118.94 127.54 2f4p s TRP 119 Ca 0.06 0.63 0.13 0.00 0.02 0.00 0.00 56.10 56.93 2f4p s TRP 119 Cb -0.16 -2.16 0.23 0.00 -1.15 0.00 0.00 33.47 30.23 2f4p s TRP 119 CO 0.05 0.51 1.10 1.28 0.02 0.00 0.00 176.95 179.92 2f4p n LEU 120 N 2.61 0.77 0.00 2.99 4.77 0.93 -4.98 117.00 124.08 2f4p n LEU 120 Ca -0.16 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 2f4p n LEU 120 Cb 0.53 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2f4p n LEU 120 CO 0.36 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2f4p n GLY 121 N 0.05 2.54 3.75 -0.72 0.00 -1.24 -4.73 105.19 104.84 2f4p n GLY 121 Ca 0.05 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 2f4p n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f4p s SER 122 N 0.00 4.54 -0.28 1.61 0.01 -1.26 -1.08 113.70 117.24 2f4p s SER 122 Ca 0.00 2.10 -0.25 0.00 1.31 0.00 0.00 55.95 59.11 2f4p s SER 122 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2f4p s SER 122 CO 0.00 -2.02 0.86 -0.69 0.41 0.00 0.00 173.24 171.80 2f4p s VAL 123 N -2.34 4.77 0.82 3.43 1.01 -1.26 -4.68 120.40 122.14 2f4p s VAL 123 Ca 0.68 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 64.02 2f4p s VAL 123 Cb -0.23 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.06 2f4p s VAL 123 CO 0.46 -0.20 1.09 0.42 0.00 0.00 0.00 175.10 176.87 2f4p s THR 124 N 3.02 3.03 0.24 3.92 -4.23 -1.26 -4.73 115.64 115.62 2f4p s THR 124 Ca 0.36 0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 61.14 2f4p s THR 124 Cb -0.14 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.94 2f4p s THR 124 CO 0.10 -0.44 1.85 -0.33 -0.54 0.00 0.00 174.62 175.27 2f4p h GLU 125 N -1.22 0.94 0.16 3.99 4.39 -1.98 0.27 114.58 121.13 2f4p h GLU 125 Ca -0.47 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 2f4p h GLU 125 Cb 1.27 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2f4p h GLU 125 CO 0.57 0.62 -0.08 1.49 -1.16 0.00 0.00 179.01 180.45 2f4p h GLU 126 N 0.97 -0.21 -0.37 2.33 4.57 -1.98 0.37 114.58 120.26 2f4p h GLU 126 Ca 0.36 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.58 2f4p h GLU 126 Cb 0.14 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2f4p h GLU 126 CO -0.16 -0.12 0.19 0.93 -1.18 0.00 0.00 179.01 178.66 2f4p h GLU 127 N -0.23 0.37 -0.37 1.92 5.08 -1.77 0.59 114.58 120.16 2f4p h GLU 127 Ca -0.02 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2f4p h GLU 127 Cb 0.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2f4p h GLU 127 CO 0.04 0.24 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.34 2f4p h TYR 128 N 0.38 0.75 -0.13 4.33 3.20 -0.30 -1.39 116.97 123.80 2f4p h TYR 128 Ca 0.16 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2f4p h TYR 128 Cb 0.06 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2f4p h TYR 128 CO -0.10 0.79 0.06 0.00 -1.64 0.00 0.00 178.16 177.27 2f4p h ARG 129 N 0.49 0.19 -0.53 1.82 -0.00 -0.03 -2.10 114.38 114.22 2f4p h ARG 129 Ca 0.10 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.52 2f4p h ARG 129 Cb 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.42 2f4p h ARG 129 CO 0.02 0.24 0.20 1.57 0.00 0.00 0.00 179.97 182.01 2f4p h LYS 130 N 0.09 0.77 -0.11 0.04 5.09 -0.72 0.55 116.57 122.27 2f4p h LYS 130 Ca 0.05 -0.12 -0.11 0.00 0.09 0.00 0.00 60.65 60.56 2f4p h LYS 130 Cb 0.11 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 32.29 2f4p h LYS 130 CO -0.01 0.64 -0.41 0.00 -2.09 0.00 0.00 179.45 177.58 2f4p h ALA 131 N 1.46 1.11 0.00 0.07 0.00 -1.08 -3.38 119.26 117.45 2f4p h ALA 131 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2f4p h ALA 131 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2f4p h ALA 131 CO -0.02 0.59 -1.15 0.25 0.00 0.00 0.00 179.25 178.93 2f4p n THR 132 N -4.02 0.00 -1.81 0.00 -2.24 -0.64 -4.79 114.28 100.78 2f4p n THR 132 Ca -0.02 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2f4p n THR 132 Cb 0.48 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 2f4p n THR 132 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2f4p s GLU 133 N -2.25 4.16 -1.60 -0.78 2.02 0.18 -2.45 118.70 117.99 2f4p s GLU 133 Ca -0.01 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.44 2f4p s GLU 133 Cb 0.03 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 30.37 2f4p s GLU 133 CO 0.17 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.00 2f4p n GLY 134 N 4.27 1.01 0.19 -1.39 0.00 -1.26 -5.02 105.19 102.99 2f4p n GLY 134 Ca 0.18 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.98 2f4p n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60