#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmh s VAL 4 N 0.00 2.41 -0.11 0.44 -7.23 -1.26 -5.12 120.40 109.52 1pmh s VAL 4 Ca 0.00 -1.47 -0.26 0.00 -1.81 0.00 0.00 61.98 58.44 1pmh s VAL 4 Cb 0.00 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1pmh s VAL 4 CO 0.00 0.24 0.83 0.20 -0.31 0.00 0.00 175.10 176.07 1pmh s ASN 5 N -1.64 7.05 0.53 4.85 0.01 -1.26 -4.81 114.94 119.67 1pmh s ASN 5 Ca 0.14 1.28 -0.22 0.00 -0.71 0.00 0.00 52.86 53.35 1pmh s ASN 5 Cb -0.10 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 1pmh s ASN 5 CO 0.05 -0.31 1.38 -2.84 -1.51 0.00 0.00 177.10 173.87 1pmh s PRO 6 N 1.61 3.20 -0.32 -0.60 0.02 -1.26 -4.97 135.00 132.68 1pmh s PRO 6 Ca 0.41 2.28 -0.16 0.00 0.02 0.00 0.00 61.00 63.55 1pmh s PRO 6 Cb -0.18 -2.31 -0.02 0.00 0.02 0.00 0.00 34.50 32.02 1pmh s PRO 6 CO 0.17 -1.16 0.42 0.08 -0.33 0.00 0.00 177.00 176.18 1pmh s VAL 7 N -1.28 5.11 -0.33 3.83 1.01 -0.37 -4.96 120.40 123.42 1pmh s VAL 7 Ca 0.70 0.33 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1pmh s VAL 7 Cb -0.41 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.21 1pmh s VAL 7 CO 0.50 -0.06 0.04 -0.69 0.00 0.00 0.00 175.10 174.89 1pmh s VAL 8 N 2.17 2.75 -0.92 2.92 1.01 -1.26 -1.14 120.40 125.92 1pmh s VAL 8 Ca 0.15 -1.80 -0.10 0.00 0.00 0.00 0.00 61.98 60.24 1pmh s VAL 8 Cb -0.16 -2.75 0.24 0.00 0.00 0.00 0.00 36.38 33.70 1pmh s VAL 8 CO 0.12 -0.33 0.87 -0.76 0.00 0.00 0.00 175.10 174.99 1pmh s LEU 9 N 1.12 6.33 0.00 3.92 1.43 0.74 -4.80 118.68 127.42 1pmh s LEU 9 Ca 0.01 -3.16 0.13 0.00 -1.03 0.00 0.00 54.13 50.07 1pmh s LEU 9 Cb -0.20 -2.14 0.04 0.00 0.03 0.00 0.00 46.19 43.91 1pmh s LEU 9 CO -0.04 -0.40 0.80 -0.90 0.23 0.00 0.00 176.35 176.03 1pmh n ASP 10 N 3.26 1.65 -0.47 2.29 5.68 -1.26 -1.26 116.55 126.44 1pmh n ASP 10 Ca 0.18 -1.32 -0.06 0.00 -0.50 0.00 0.00 54.79 53.08 1pmh n ASP 10 Cb 0.42 0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 40.68 1pmh n ASP 10 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1pmh n PHE 11 N 0.14 0.00 0.77 2.11 3.72 -1.26 -4.61 117.46 118.33 1pmh n PHE 11 Ca 0.06 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 1pmh n PHE 11 Cb 0.29 -2.04 0.50 0.00 -0.94 0.00 0.00 39.48 37.29 1pmh n PHE 11 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1pmh n GLU 12 N -0.90 0.05 0.00 -1.08 -0.58 -1.26 -1.29 120.64 115.58 1pmh n GLU 12 Ca -0.06 0.12 0.11 0.00 -0.42 0.00 0.00 57.16 56.91 1pmh n GLU 12 Cb 0.44 -1.57 0.63 0.00 -0.57 0.00 0.00 31.44 30.37 1pmh n GLU 12 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1pmh n ASP 13 N -1.65 0.00 -0.89 1.62 5.68 -1.26 -4.90 116.55 115.14 1pmh n ASP 13 Ca 0.06 -1.02 -0.09 0.00 -0.50 0.00 0.00 54.79 53.23 1pmh n ASP 13 Cb 0.30 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 1pmh n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pmh n GLY 14 N 0.61 0.45 3.44 6.12 0.00 -0.41 -5.03 105.19 110.37 1pmh n GLY 14 Ca 0.16 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1pmh n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pmh s THR 15 N -2.40 1.50 0.00 2.61 -4.23 -1.25 -4.94 115.64 106.93 1pmh s THR 15 Ca 0.00 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1pmh s THR 15 Cb 0.00 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1pmh s THR 15 CO 0.00 -0.21 0.07 1.33 -0.54 0.00 0.00 174.62 175.27 1pmh n VAL 16 N -0.62 0.00 0.00 2.29 0.24 -1.26 -4.66 118.33 114.32 1pmh n VAL 16 Ca -0.05 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1pmh n VAL 16 Cb 0.64 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 1pmh n VAL 16 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1pmh n SER 18 N -0.51 0.00 -4.75 -1.34 3.41 -1.26 -4.87 113.62 104.29 1pmh n SER 18 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1pmh n SER 18 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1pmh n SER 18 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1pmh s PHE 19 N -0.12 3.19 -0.28 7.33 0.40 -1.26 -4.48 117.98 122.75 1pmh s PHE 19 Ca 0.00 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.64 1pmh s PHE 19 Cb 0.00 -3.62 0.00 0.00 0.51 0.00 0.00 43.02 39.91 1pmh s PHE 19 CO 0.00 -1.84 0.00 0.41 0.70 0.00 0.00 175.22 174.49 1pmh n GLY 20 N 1.70 -0.73 3.76 4.36 0.00 -0.46 -4.99 105.19 108.82 1pmh n GLY 20 Ca 0.03 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1pmh n GLY 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pmh s GLU 21 N -0.11 3.39 0.18 1.61 -1.05 -1.26 -0.55 118.70 120.91 1pmh s GLU 21 Ca 0.00 2.09 0.13 0.00 -0.15 0.00 0.00 54.97 57.04 1pmh s GLU 21 Cb 0.00 -2.34 -0.06 0.00 -0.44 0.00 0.00 34.13 31.29 1pmh s GLU 21 CO 0.00 -0.94 1.26 0.00 0.95 0.00 0.00 175.26 176.53 1pmh h ALA 22 N 1.73 0.58 -2.98 -0.84 0.00 -1.83 -3.38 119.26 112.54 1pmh h ALA 22 Ca -0.50 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 53.74 1pmh h ALA 22 Cb 1.28 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1pmh h ALA 22 CO 0.59 0.91 0.26 1.67 0.00 0.00 0.00 179.25 182.67 1pmh s TRP 23 N -2.86 -0.05 0.12 0.00 -2.14 -1.26 -4.92 118.94 107.83 1pmh s TRP 23 Ca 0.02 -0.51 -0.33 0.00 2.66 0.00 0.00 56.10 57.94 1pmh s TRP 23 Cb 0.08 0.77 -0.12 0.00 -3.10 0.00 0.00 33.47 31.10 1pmh s TRP 23 CO 0.78 -1.37 1.73 0.41 -2.66 0.00 0.00 176.95 175.84 1pmh n GLY 24 N -0.50 1.41 2.43 3.67 0.00 -1.26 -1.48 105.19 109.46 1pmh n GLY 24 Ca -0.06 0.70 -0.17 0.00 0.00 0.00 0.00 46.02 46.49 1pmh n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pmh n ASP 25 N 4.69 -5.10 0.23 1.61 2.03 -1.26 -4.90 116.55 113.85 1pmh n ASP 25 Ca 0.18 0.24 0.13 0.00 0.52 0.00 0.00 54.79 55.86 1pmh n ASP 25 Cb 0.32 -4.16 0.34 0.00 -0.72 0.00 0.00 41.12 36.90 1pmh n ASP 25 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1pmh h SER 26 N 0.00 0.00 -0.20 1.67 4.64 -1.55 -3.35 113.55 114.76 1pmh h SER 26 Ca -0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 1pmh h SER 26 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1pmh h SER 26 CO 0.51 0.06 0.01 -0.07 -0.87 0.00 0.00 176.83 176.46 1pmh h LEU 27 N 0.00 0.33 0.00 5.97 3.38 -1.83 -0.87 115.31 122.29 1pmh h LEU 27 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pmh h LEU 27 Cb 0.86 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1pmh h LEU 27 CO 0.01 0.55 0.00 0.29 0.09 0.00 0.00 178.44 179.37 1pmh n LYS 28 N -4.71 0.00 0.32 1.13 5.02 -1.26 -0.88 118.16 117.79 1pmh n LYS 28 Ca -0.04 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.46 1pmh n LYS 28 Cb 0.22 0.00 1.06 0.00 -0.02 0.00 0.00 35.03 36.28 1pmh n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pmh s ILE 30 N -4.02 4.43 -0.20 0.00 1.01 -0.05 -1.49 121.20 120.87 1pmh s ILE 30 Ca -0.03 0.98 0.20 0.00 0.00 0.00 0.00 60.65 61.80 1pmh s ILE 30 Cb 0.12 -4.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1pmh s ILE 30 CO 0.46 -0.81 1.01 0.11 0.00 0.00 0.00 174.94 175.71 1pmh h LYS 31 N 8.97 0.00 -1.99 2.79 1.79 -0.45 -3.44 116.57 124.24 1pmh h LYS 31 Ca -0.23 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.20 1pmh h LYS 31 Cb 1.07 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.51 1pmh h LYS 31 CO 1.04 0.11 0.14 0.21 -1.08 0.00 0.00 179.45 179.87 1pmh s LYS 32 N -3.20 0.85 -0.13 3.15 2.20 -1.17 -4.98 119.74 116.46 1pmh s LYS 32 Ca -0.01 0.94 0.02 0.00 -0.36 0.00 0.00 55.97 56.56 1pmh s LYS 32 Cb 0.09 0.41 0.01 0.00 -1.51 0.00 0.00 37.83 36.83 1pmh s LYS 32 CO 0.79 -0.12 -0.21 0.08 -0.36 0.00 0.00 175.35 175.54 1pmh s VAL 33 N 0.26 1.95 0.18 4.02 1.01 -1.26 -1.14 120.40 125.42 1pmh s VAL 33 Ca -0.01 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1pmh s VAL 33 Cb -0.05 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1pmh s VAL 33 CO 0.02 0.53 0.38 -0.94 0.00 0.00 0.00 175.10 175.09 1pmh s SER 34 N 0.83 -0.08 -0.05 3.32 1.04 -0.49 -5.01 113.70 113.26 1pmh s SER 34 Ca -0.07 -0.72 -0.14 0.00 0.48 0.00 0.00 55.95 55.50 1pmh s SER 34 Cb -0.15 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1pmh s SER 34 CO -0.01 -0.97 0.36 0.54 0.98 0.00 0.00 173.24 174.14 1pmh s VAL 35 N -3.93 5.15 0.06 5.02 0.11 -1.26 -0.34 120.40 125.21 1pmh s VAL 35 Ca 0.14 0.72 0.04 0.00 -2.93 0.00 0.00 61.98 59.95 1pmh s VAL 35 Cb 0.01 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 1pmh s VAL 35 CO -0.01 0.53 -0.12 -0.55 -3.33 0.00 0.00 175.10 171.63 1pmh s SER 36 N -0.69 1.35 -0.07 3.54 0.15 0.25 -4.89 113.70 113.33 1pmh s SER 36 Ca 0.22 -0.59 0.20 0.00 0.70 0.00 0.00 55.95 56.47 1pmh s SER 36 Cb -0.15 -0.02 0.68 0.00 -1.71 0.00 0.00 66.02 64.82 1pmh s SER 36 CO 0.10 -0.13 1.58 0.00 1.20 0.00 0.00 173.24 176.00 1pmh n GLN 37 N 1.36 3.34 0.18 5.44 6.02 -1.26 -0.99 117.38 131.47 1pmh n GLN 37 Ca -0.22 -2.79 0.07 0.00 -0.01 0.00 0.00 57.00 54.06 1pmh n GLN 37 Cb 0.54 -1.75 0.58 0.00 1.02 0.00 0.00 30.24 30.63 1pmh n GLN 37 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1pmh h ASP 38 N 4.07 0.13 -0.67 1.08 3.32 -1.94 -1.90 116.42 120.51 1pmh h ASP 38 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pmh h ASP 38 Cb 1.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1pmh h ASP 38 CO 0.14 0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.93 1pmh n LEU 39 N -4.52 4.66 -4.72 1.55 4.77 -1.26 -4.82 117.00 112.65 1pmh n LEU 39 Ca -0.01 -2.35 -0.42 0.00 -0.03 0.00 0.00 56.01 53.20 1pmh n LEU 39 Cb 0.09 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 1pmh n LEU 39 CO 0.34 0.85 1.26 0.00 -1.33 0.00 0.00 177.39 178.51 1pmh n GLN 40 N 1.25 2.62 -3.85 3.23 10.64 -0.72 -4.86 117.38 125.69 1pmh n GLN 40 Ca 0.26 0.94 -0.09 0.00 -1.83 0.00 0.00 57.00 56.27 1pmh n GLN 40 Cb 0.85 -2.73 0.01 0.00 -0.86 0.00 0.00 30.24 27.51 1pmh n GLN 40 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1pmh s ARG 41 N 0.13 2.14 0.06 2.61 1.70 -0.21 -4.80 118.95 120.57 1pmh s ARG 41 Ca 0.69 -1.43 -0.33 0.00 -0.47 0.00 0.00 55.73 54.19 1pmh s ARG 41 Cb -0.53 0.60 -0.12 0.00 -0.57 0.00 0.00 34.95 34.33 1pmh s ARG 41 CO 0.43 -0.98 1.79 -2.30 -1.08 0.00 0.00 175.30 173.15 1pmh n PRO 42 N -0.52 2.41 -1.06 3.89 -0.02 -1.26 -1.22 135.00 137.21 1pmh n PRO 42 Ca -0.07 0.88 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 1pmh n PRO 42 Cb 0.60 -2.72 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 1pmh n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pmh n GLY 43 N 4.07 0.47 2.96 -1.23 0.00 -1.26 -4.92 105.19 105.28 1pmh n GLY 43 Ca 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1pmh n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pmh s ASN 44 N -2.21 -0.32 -0.00 1.61 3.84 -0.35 -5.03 114.94 112.48 1pmh s ASN 44 Ca 0.00 -1.29 0.09 0.00 0.21 0.00 0.00 52.86 51.87 1pmh s ASN 44 Cb 0.00 1.30 -0.23 0.00 -0.55 0.00 0.00 41.25 41.77 1pmh s ASN 44 CO 0.00 -0.19 0.82 0.50 -2.79 0.00 0.00 177.10 175.44 1pmh h LYS 45 N 6.79 0.04 -5.85 0.43 3.64 -1.90 -0.54 116.57 119.18 1pmh h LYS 45 Ca 0.06 -0.07 -0.50 0.00 -1.27 0.00 0.00 60.65 58.87 1pmh h LYS 45 Cb 1.11 0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 32.75 1pmh h LYS 45 CO 0.14 0.72 -0.80 0.71 -2.27 0.00 0.00 179.45 177.95 1pmh s TYR 46 N -2.63 1.62 0.10 1.91 2.02 -1.26 -4.07 117.35 115.05 1pmh s TYR 46 Ca -0.05 -0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 56.13 1pmh s TYR 46 Cb 0.08 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1pmh s TYR 46 CO 0.82 0.19 0.15 0.00 -1.57 0.00 0.00 175.55 175.14 1pmh s ALA 47 N -1.49 0.10 -0.23 3.71 0.00 -0.16 -4.69 121.76 119.01 1pmh s ALA 47 Ca 0.07 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.89 1pmh s ALA 47 Cb -0.08 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1pmh s ALA 47 CO 0.04 -0.51 0.80 -1.17 0.00 0.00 0.00 175.76 174.92 1pmh s LEU 48 N -2.92 4.10 -0.23 0.00 2.96 -0.24 -0.59 118.68 121.76 1pmh s LEU 48 Ca 0.10 1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 54.93 1pmh s LEU 48 Cb 0.05 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.55 1pmh s LEU 48 CO -0.07 -0.47 0.13 -0.60 -1.32 0.00 0.00 176.35 174.02 1pmh s ARG 49 N 2.65 4.02 -0.30 1.98 3.52 0.54 -0.92 118.95 130.44 1pmh s ARG 49 Ca 0.34 -0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1pmh s ARG 49 Cb -0.15 -3.45 0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1pmh s ARG 49 CO 0.08 0.09 0.03 -0.51 -0.81 0.00 0.00 175.30 174.18 1pmh s LEU 50 N 0.96 3.91 -0.38 -0.88 1.43 0.42 -1.40 118.68 122.72 1pmh s LEU 50 Ca 0.06 -1.11 -0.25 0.00 -1.03 0.00 0.00 54.13 51.80 1pmh s LEU 50 Cb -0.13 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1pmh s LEU 50 CO 0.03 -0.25 0.91 -1.81 0.23 0.00 0.00 176.35 175.46 1pmh s ASP 51 N 1.33 6.63 0.21 2.29 1.01 -0.29 -0.57 116.67 127.28 1pmh s ASP 51 Ca -0.03 0.47 0.09 0.00 0.71 0.00 0.00 52.55 53.79 1pmh s ASP 51 Cb -0.19 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1pmh s ASP 51 CO -0.00 -0.88 -0.07 0.68 0.21 0.00 0.00 175.17 175.12 1pmh s VAL 52 N 3.48 3.28 -0.05 -1.27 -7.23 -0.36 0.19 120.40 118.43 1pmh s VAL 52 Ca 0.37 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1pmh s VAL 52 Cb -0.12 -2.67 0.03 0.00 0.56 0.00 0.00 36.38 34.18 1pmh s VAL 52 CO 0.20 -0.20 0.02 -1.61 -0.31 0.00 0.00 175.10 173.20 1pmh s GLU 53 N -3.11 0.33 0.05 4.82 2.02 -0.55 -1.61 118.70 120.65 1pmh s GLU 53 Ca 0.27 0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.49 1pmh s GLU 53 Cb -0.08 -0.72 -0.04 0.00 0.10 0.00 0.00 34.13 33.39 1pmh s GLU 53 CO 0.17 -0.28 -0.02 -0.06 0.02 0.00 0.00 175.26 175.09 1pmh s PHE 54 N 1.84 2.98 -0.23 1.61 0.08 -0.35 -4.68 117.98 119.22 1pmh s PHE 54 Ca 0.02 -0.01 -0.08 0.00 0.12 0.00 0.00 56.93 56.98 1pmh s PHE 54 Cb -0.12 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1pmh s PHE 54 CO -0.04 0.45 0.08 1.21 -0.10 0.00 0.00 175.22 176.83 1pmh s ASN 55 N -1.95 5.41 0.33 1.36 3.84 -1.10 -4.24 114.94 118.60 1pmh s ASN 55 Ca 0.22 -0.09 0.25 0.00 0.21 0.00 0.00 52.86 53.46 1pmh s ASN 55 Cb -0.11 -1.96 1.14 0.00 -0.55 0.00 0.00 41.25 39.76 1pmh s ASN 55 CO 0.14 0.03 1.77 1.55 -2.79 0.00 0.00 177.10 177.80 1pmh h PRO 56 N 7.74 0.00 -0.03 0.43 0.13 -1.52 -1.88 132.00 136.86 1pmh h PRO 56 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1pmh h PRO 56 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1pmh h PRO 56 CO 0.61 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.65 1pmh n ASN 57 N -2.39 0.77 -4.26 1.44 2.04 -1.26 -4.39 115.26 107.21 1pmh n ASN 57 Ca 0.01 -1.35 -0.34 0.00 -0.44 0.00 0.00 54.58 52.45 1pmh n ASN 57 Cb 0.19 -0.02 -0.15 0.00 -2.53 0.00 0.00 39.78 37.28 1pmh n ASN 57 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1pmh s ASN 58 N -1.85 4.01 0.00 0.53 3.84 -0.71 -4.98 114.94 115.77 1pmh s ASN 58 Ca 0.39 -0.48 0.28 0.00 0.21 0.00 0.00 52.86 53.26 1pmh s ASN 58 Cb 0.19 -1.67 1.37 0.00 -0.55 0.00 0.00 41.25 40.59 1pmh s ASN 58 CO 0.31 -0.02 1.96 0.61 -2.79 0.00 0.00 177.10 177.17 1pmh n GLY 59 N 4.75 -1.29 2.60 1.21 0.00 -1.26 -1.10 105.19 110.10 1pmh n GLY 59 Ca -0.19 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 1pmh n GLY 59 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1pmh n TRP 60 N -1.35 -2.61 -3.18 1.61 -0.00 -1.11 -4.28 117.44 106.52 1pmh n TRP 60 Ca 0.12 -2.18 -0.45 0.00 -0.00 0.00 0.00 57.50 54.98 1pmh n TRP 60 Cb 0.25 0.97 -0.01 0.00 -0.00 0.00 0.00 31.31 32.52 1pmh n TRP 60 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1pmh s ASP 61 N 0.34 6.92 0.18 5.87 -1.08 0.20 -4.84 116.67 124.27 1pmh s ASP 61 Ca 0.31 -2.82 -0.11 0.00 -0.52 0.00 0.00 52.55 49.41 1pmh s ASP 61 Cb 0.03 -2.28 -0.07 0.00 -1.46 0.00 0.00 42.92 39.14 1pmh s ASP 61 CO -0.12 -0.64 0.52 -1.58 0.52 0.00 0.00 175.17 173.88 1pmh s GLN 62 N 0.59 3.85 0.00 4.34 0.74 -1.26 -1.29 119.66 126.63 1pmh s GLN 62 Ca 0.28 0.33 -0.11 0.00 0.05 0.00 0.00 55.36 55.90 1pmh s GLN 62 Cb -0.08 -2.80 0.01 0.00 1.10 0.00 0.00 33.01 31.25 1pmh s GLN 62 CO -0.07 0.41 0.23 0.20 -0.55 0.00 0.00 175.29 175.51 1pmh s GLY 63 N -2.06 -0.06 -0.09 2.59 0.00 0.30 -3.83 107.32 104.17 1pmh s GLY 63 Ca 0.42 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1pmh s GLY 63 CO 0.20 -0.10 -0.07 0.99 0.00 0.00 0.00 173.10 174.12 1pmh s ASP 64 N -1.47 1.86 -0.16 1.64 1.01 -0.33 -1.22 116.67 118.00 1pmh s ASP 64 Ca -0.13 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 52.85 1pmh s ASP 64 Cb -0.05 -0.73 -0.02 0.00 1.01 0.00 0.00 42.92 43.13 1pmh s ASP 64 CO 0.02 -0.10 -0.04 -0.22 0.21 0.00 0.00 175.17 175.04 1pmh s LEU 65 N 1.47 3.16 0.19 1.23 2.96 -0.24 -3.52 118.68 123.94 1pmh s LEU 65 Ca -0.00 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1pmh s LEU 65 Cb -0.13 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1pmh s LEU 65 CO -0.05 0.14 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.13 1pmh s GLY 66 N 0.51 1.44 0.01 7.98 0.00 0.29 -0.68 107.32 116.88 1pmh s GLY 66 Ca -0.04 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1pmh s GLY 66 CO 0.03 -1.68 -0.02 -1.08 0.00 0.00 0.00 173.10 170.34 1pmh s THR 67 N -2.57 0.13 -0.20 0.90 -1.32 -0.18 -1.36 115.64 111.03 1pmh s THR 67 Ca 0.20 -0.52 -0.14 0.00 -1.21 0.00 0.00 61.69 60.02 1pmh s THR 67 Cb -0.03 -0.20 -0.04 0.00 -1.51 0.00 0.00 72.50 70.72 1pmh s THR 67 CO 0.07 -0.25 0.29 0.26 -2.21 0.00 0.00 174.62 172.78 1pmh s TRP 68 N -0.79 3.38 0.12 9.09 0.52 -1.26 -1.21 118.94 128.79 1pmh s TRP 68 Ca -0.08 0.49 -0.34 0.00 0.02 0.00 0.00 56.10 56.19 1pmh s TRP 68 Cb -0.06 -2.39 -0.13 0.00 -1.15 0.00 0.00 33.47 29.74 1pmh s TRP 68 CO -0.00 0.09 1.65 -0.89 0.02 0.00 0.00 176.95 177.82 1pmh n ILE 69 N 4.08 0.12 -0.99 2.03 2.08 -0.36 -1.11 119.36 125.22 1pmh n ILE 69 Ca -0.11 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.17 1pmh n ILE 69 Cb 0.52 -1.64 0.00 0.00 -0.75 0.00 0.00 39.64 37.77 1pmh n ILE 69 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pmh n GLY 70 N 3.65 0.28 2.77 7.39 0.00 -1.26 -2.74 105.19 115.27 1pmh n GLY 70 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1pmh n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pmh n GLY 71 N -1.18 0.22 3.50 -0.02 0.00 -0.27 -4.97 105.19 102.46 1pmh n GLY 71 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1pmh n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pmh s VAL 72 N -1.49 4.54 0.22 1.61 1.01 -1.11 -4.94 120.40 120.25 1pmh s VAL 72 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 1pmh s VAL 72 Cb 0.00 -4.46 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 1pmh s VAL 72 CO 0.00 -1.02 1.62 -0.69 0.00 0.00 0.00 175.10 175.02 1pmh s VAL 73 N 3.53 2.25 -0.30 2.92 1.01 -1.26 -1.52 120.40 127.02 1pmh s VAL 73 Ca 0.25 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1pmh s VAL 73 Cb -0.15 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1pmh s VAL 73 CO 0.17 0.02 0.00 -0.62 0.00 0.00 0.00 175.10 174.67 1pmh n GLU 74 N 3.39 -1.28 -1.13 2.72 -0.58 -1.26 -5.00 120.64 117.50 1pmh n GLU 74 Ca 0.13 0.47 -0.30 0.00 -0.42 0.00 0.00 57.16 57.04 1pmh n GLU 74 Cb 0.37 -4.50 0.13 0.00 -0.57 0.00 0.00 31.44 26.87 1pmh n GLU 74 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1pmh s GLY 75 N -2.17 1.64 0.18 0.62 0.00 -0.58 -4.86 107.32 102.14 1pmh s GLY 75 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.91 1pmh s GLY 75 CO 0.00 0.56 0.00 1.20 0.00 0.00 0.00 173.10 174.86 1pmh s GLN 76 N -4.87 2.42 -0.01 2.90 -1.52 -1.26 -1.11 119.66 116.20 1pmh s GLN 76 Ca 0.63 -1.10 0.02 0.00 -1.95 0.00 0.00 55.36 52.95 1pmh s GLN 76 Cb -0.19 -2.36 0.00 0.00 -0.22 0.00 0.00 33.01 30.24 1pmh s GLN 76 CO 0.57 0.45 -0.05 0.12 -0.25 0.00 0.00 175.29 176.14 1pmh s PHE 77 N -1.74 0.53 -0.64 0.91 5.36 0.02 -4.78 117.98 117.64 1pmh s PHE 77 Ca 0.28 -0.10 -0.24 0.00 -0.96 0.00 0.00 56.93 55.91 1pmh s PHE 77 Cb -0.09 -0.39 0.06 0.00 -0.34 0.00 0.00 43.02 42.26 1pmh s PHE 77 CO 0.19 -0.05 1.01 0.34 -1.46 0.00 0.00 175.22 175.25 1pmh s ASP 78 N 0.14 6.22 0.00 6.13 -1.08 -1.26 -1.43 116.67 125.39 1pmh s ASP 78 Ca -0.01 -0.73 0.20 0.00 -0.52 0.00 0.00 52.55 51.48 1pmh s ASP 78 Cb -0.05 -2.45 1.18 0.00 -1.46 0.00 0.00 42.92 40.14 1pmh s ASP 78 CO -0.00 -1.45 1.76 0.49 0.52 0.00 0.00 175.17 176.49 1pmh n PHE 79 N 7.90 0.00 -1.64 -5.34 3.72 -0.24 -4.89 117.46 116.97 1pmh n PHE 79 Ca -0.01 0.00 -0.52 0.00 -0.05 0.00 0.00 57.45 56.87 1pmh n PHE 79 Cb 0.46 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.95 1pmh n PHE 79 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1pmh n THR 80 N -0.81 0.11 -0.45 4.37 -1.04 -1.24 -0.94 114.28 114.28 1pmh n THR 80 Ca 0.15 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1pmh n THR 80 Cb 0.07 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1pmh n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pmh n GLY 81 N 3.16 1.82 3.81 3.41 0.00 -1.26 -4.95 105.19 111.19 1pmh n GLY 81 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1pmh n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pmh s TYR 82 N -3.35 3.60 0.00 1.61 1.51 -0.11 -4.29 117.35 116.32 1pmh s TYR 82 Ca 0.00 0.70 0.00 0.00 -1.01 0.00 0.00 57.07 56.76 1pmh s TYR 82 Cb 0.00 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 1pmh s TYR 82 CO 0.00 0.54 0.00 1.63 -1.11 0.00 0.00 175.55 176.61 1pmh n LYS 83 N 2.45 4.72 -3.65 -0.62 5.02 0.11 -4.81 118.16 121.39 1pmh n LYS 83 Ca -0.15 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.02 1pmh n LYS 83 Cb 0.53 -0.47 -0.05 0.00 -0.02 0.00 0.00 35.03 35.02 1pmh n LYS 83 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pmh s SER 84 N -0.90 -0.25 -0.15 4.39 1.04 -0.90 -1.05 113.70 115.88 1pmh s SER 84 Ca 0.00 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1pmh s SER 84 Cb 0.00 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.59 1pmh s SER 84 CO 0.00 -0.78 -0.21 -0.69 0.98 0.00 0.00 173.24 172.54 1pmh s VAL 85 N -3.31 2.12 0.13 5.02 1.01 -0.26 -1.11 120.40 124.00 1pmh s VAL 85 Ca -0.00 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.12 1pmh s VAL 85 Cb 0.01 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1pmh s VAL 85 CO -0.08 0.54 -0.16 -0.70 0.00 0.00 0.00 175.10 174.70 1pmh s GLU 86 N 0.95 1.86 0.17 2.72 2.12 -0.02 -0.96 118.70 125.54 1pmh s GLU 86 Ca -0.03 -1.19 -0.21 0.00 0.36 0.00 0.00 54.97 53.89 1pmh s GLU 86 Cb -0.15 -2.13 0.06 0.00 0.26 0.00 0.00 34.13 32.16 1pmh s GLU 86 CO -0.05 0.47 0.58 -0.59 -0.54 0.00 0.00 175.26 175.13 1pmh s PHE 87 N -1.26 -0.41 0.48 5.30 -0.12 -0.69 -0.88 117.98 120.40 1pmh s PHE 87 Ca 0.20 0.14 0.02 0.00 -0.05 0.00 0.00 56.93 57.24 1pmh s PHE 87 Cb -0.10 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.79 1pmh s PHE 87 CO 0.11 -0.88 0.04 -1.21 -0.05 0.00 0.00 175.22 173.23 1pmh s GLU 88 N -3.79 2.13 0.00 1.99 2.02 -0.57 -2.33 118.70 118.15 1pmh s GLU 88 Ca 0.03 -2.35 0.00 0.00 0.02 0.00 0.00 54.97 52.67 1pmh s GLU 88 Cb -0.01 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 32.98 1pmh s GLU 88 CO -0.09 -0.41 0.00 1.19 0.02 0.00 0.00 175.26 175.96 1pmh n PHE 90 N -1.17 0.00 -4.23 1.61 3.01 -0.08 -1.08 117.46 115.52 1pmh n PHE 90 Ca -0.16 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.07 1pmh n PHE 90 Cb 0.66 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.97 1pmh n PHE 90 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1pmh s ILE 91 N -0.13 0.82 -0.10 4.37 1.09 -0.10 -0.78 121.20 126.36 1pmh s ILE 91 Ca 0.00 -0.25 -0.38 0.00 -1.10 0.00 0.00 60.65 58.92 1pmh s ILE 91 Cb 0.00 -0.81 -0.15 0.00 -1.06 0.00 0.00 42.46 40.43 1pmh s ILE 91 CO 0.00 0.30 1.61 -2.65 -0.10 0.00 0.00 174.94 174.10 1pmh n PRO 92 N 4.22 1.33 -0.02 2.79 -0.02 -1.26 -0.48 135.00 141.56 1pmh n PRO 92 Ca -0.20 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.64 1pmh n PRO 92 Cb 0.51 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.72 1pmh n PRO 92 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1pmh h TYR 93 N 6.45 0.10 -0.05 6.00 3.20 -1.34 -1.66 116.97 129.67 1pmh h TYR 93 Ca -0.47 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.37 1pmh h TYR 93 Cb 1.31 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 1pmh h TYR 93 CO 0.72 0.48 0.02 -0.44 -1.64 0.00 0.00 178.16 177.30 1pmh h ASP 94 N -0.31 0.06 -0.61 -2.11 3.32 -1.89 0.22 116.42 115.10 1pmh h ASP 94 Ca 0.01 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1pmh h ASP 94 Cb 0.46 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1pmh h ASP 94 CO 0.01 0.22 0.07 -0.33 -1.72 0.00 0.00 179.24 177.49 1pmh h GLU 95 N -0.09 1.05 -0.63 3.56 4.39 -1.95 -2.44 114.58 118.47 1pmh h GLU 95 Ca 0.02 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 1pmh h GLU 95 Cb 0.18 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1pmh h GLU 95 CO -0.00 0.98 0.11 0.35 -1.16 0.00 0.00 179.01 179.29 1pmh h PHE 96 N 0.98 1.10 -0.39 4.33 3.57 -1.02 -2.33 116.94 123.17 1pmh h PHE 96 Ca 0.19 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1pmh h PHE 96 Cb 0.46 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1pmh h PHE 96 CO 0.03 0.93 0.21 1.03 -2.23 0.00 0.00 178.31 178.28 1pmh h SER 97 N 0.95 0.46 1.38 0.41 0.87 -0.38 -2.30 113.55 114.95 1pmh h SER 97 Ca 0.19 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 1pmh h SER 97 Cb 0.42 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1pmh h SER 97 CO 0.01 0.38 -0.36 0.50 -0.53 0.00 0.00 176.83 176.84 1pmh h LYS 98 N 0.53 0.00 -7.12 2.24 1.63 -1.15 -3.46 116.57 109.25 1pmh h LYS 98 Ca 0.14 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.43 1pmh h LYS 98 Cb 0.02 0.00 0.10 0.00 -0.60 0.00 0.00 32.23 31.75 1pmh h LYS 98 CO -0.02 0.36 0.42 -1.54 -3.45 0.00 0.00 179.45 175.22 1pmh s SER 99 N -6.35 5.33 0.51 4.20 1.04 -0.87 -5.03 113.70 112.52 1pmh s SER 99 Ca 0.03 2.19 -0.05 0.00 0.48 0.00 0.00 55.95 58.60 1pmh s SER 99 Cb 0.08 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1pmh s SER 99 CO 0.70 -1.49 0.81 0.00 0.98 0.00 0.00 173.24 174.25 1pmh s GLN 100 N -3.55 3.39 4.02 4.02 -2.07 -1.26 -4.94 119.66 119.27 1pmh s GLN 100 Ca 0.72 0.15 0.00 0.00 -1.82 0.00 0.00 55.36 54.41 1pmh s GLN 100 Cb -0.25 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.32 1pmh s GLN 100 CO 0.33 -0.32 0.00 0.41 -1.32 0.00 0.00 175.29 174.39 1pmh n GLY 101 N -2.33 0.86 0.07 2.60 0.00 -1.23 -3.27 105.19 101.89 1pmh n GLY 101 Ca 0.02 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.29 1pmh n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pmh n GLY 102 N 0.00 1.37 3.11 -0.02 0.00 -1.07 -4.81 105.19 103.77 1pmh n GLY 102 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1pmh n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pmh s PHE 103 N -6.26 0.64 0.20 1.61 -0.12 -0.59 -0.47 117.98 112.99 1pmh s PHE 103 Ca 0.00 -1.10 0.09 0.00 -0.05 0.00 0.00 56.93 55.87 1pmh s PHE 103 Cb -0.00 -0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 41.92 1pmh s PHE 103 CO 0.00 -0.40 -0.04 0.00 -0.05 0.00 0.00 175.22 174.73 1pmh s ALA 104 N -3.93 3.08 0.04 1.99 0.00 0.03 -0.19 121.76 122.78 1pmh s ALA 104 Ca 0.12 -1.49 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 1pmh s ALA 104 Cb 0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1pmh s ALA 104 CO -0.07 0.42 0.01 1.52 0.00 0.00 0.00 175.76 177.64 1pmh s TYR 105 N -1.88 0.36 0.04 0.00 -0.85 -0.46 -0.85 117.35 113.70 1pmh s TYR 105 Ca 0.27 -0.77 0.03 0.00 -0.52 0.00 0.00 57.07 56.07 1pmh s TYR 105 Cb -0.08 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 41.97 1pmh s TYR 105 CO 0.17 -0.34 -0.08 0.15 -1.52 0.00 0.00 175.55 173.93 1pmh s LYS 106 N -3.00 0.56 -0.14 -3.49 1.02 -0.40 -1.60 119.74 112.68 1pmh s LYS 106 Ca -0.02 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.28 1pmh s LYS 106 Cb 0.01 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1pmh s LYS 106 CO -0.07 0.08 -0.19 0.08 -0.92 0.00 0.00 175.35 174.33 1pmh s VAL 107 N -1.20 2.32 -0.00 3.17 1.01 -0.40 -1.10 120.40 124.20 1pmh s VAL 107 Ca -0.07 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1pmh s VAL 107 Cb -0.09 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1pmh s VAL 107 CO 0.01 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 174.90 1pmh s VAL 108 N 0.77 0.42 -0.35 2.92 1.01 -0.06 -0.35 120.40 124.77 1pmh s VAL 108 Ca -0.07 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1pmh s VAL 108 Cb -0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1pmh s VAL 108 CO -0.00 0.08 0.36 -0.63 0.00 0.00 0.00 175.10 174.91 1pmh s ILE 109 N -0.23 5.17 -1.49 2.22 1.01 -0.40 -0.72 121.20 126.76 1pmh s ILE 109 Ca 0.01 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1pmh s ILE 109 Cb -0.03 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1pmh s ILE 109 CO -0.00 -0.11 2.54 -3.20 0.00 0.00 0.00 174.94 174.17 1pmh n ASN 110 N 5.39 6.89 -3.96 3.58 5.15 0.07 -1.14 115.26 131.23 1pmh n ASN 110 Ca -0.09 -2.80 -0.31 0.00 -0.60 0.00 0.00 54.58 50.78 1pmh n ASN 110 Cb 0.49 -1.54 -0.15 0.00 -0.53 0.00 0.00 39.78 38.05 1pmh n ASN 110 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1pmh s ASP 111 N 2.00 4.53 -1.21 1.20 -1.08 -1.26 -4.55 116.67 116.31 1pmh s ASP 111 Ca 0.57 -2.40 0.00 0.00 -0.52 0.00 0.00 52.55 50.21 1pmh s ASP 111 Cb 0.16 -1.55 0.00 0.00 -1.46 0.00 0.00 42.92 40.07 1pmh s ASP 111 CO -0.07 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 175.90 1pmh n GLY 112 N 3.92 1.16 2.86 2.66 0.00 -1.26 -3.86 105.19 110.68 1pmh n GLY 112 Ca 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1pmh n GLY 112 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1pmh n TRP 113 N -2.40 -3.50 -3.64 1.61 -0.00 -1.26 -5.00 117.44 103.25 1pmh n TRP 113 Ca -0.11 1.46 -0.40 0.00 -0.00 0.00 0.00 57.50 58.46 1pmh n TRP 113 Cb 0.51 -3.84 -0.10 0.00 -0.00 0.00 0.00 31.31 27.88 1pmh n TRP 113 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1pmh s LYS 114 N -2.25 2.57 0.02 5.87 2.47 -0.29 -5.00 119.74 123.14 1pmh s LYS 114 Ca 0.17 -1.43 -0.30 0.00 -1.56 0.00 0.00 55.97 52.85 1pmh s LYS 114 Cb -0.04 -3.72 -0.06 0.00 -1.46 0.00 0.00 37.83 32.55 1pmh s LYS 114 CO 0.76 -0.91 1.32 -2.00 0.16 0.00 0.00 175.35 174.68 1pmh s GLU 115 N 1.41 4.33 -0.06 4.03 2.12 -1.26 -1.27 118.70 128.00 1pmh s GLU 115 Ca 0.03 1.89 0.04 0.00 0.36 0.00 0.00 54.97 57.29 1pmh s GLU 115 Cb -0.22 -3.46 -0.25 0.00 0.26 0.00 0.00 34.13 30.46 1pmh s GLU 115 CO 0.02 -0.46 0.62 -0.07 -0.54 0.00 0.00 175.26 174.83 1pmh h LEU 116 N 7.71 0.18 -7.09 2.70 3.38 -1.00 -3.48 115.31 117.71 1pmh h LEU 116 Ca -0.39 -0.37 0.33 0.00 0.09 0.00 0.00 57.88 57.54 1pmh h LEU 116 Cb 1.19 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1pmh h LEU 116 CO 0.87 1.33 0.89 -0.83 0.09 0.00 0.00 178.44 180.79 1pmh s GLY 117 N -5.22 -0.38 0.16 0.83 0.00 -1.15 -4.44 107.32 97.12 1pmh s GLY 117 Ca -0.11 1.12 -0.23 0.00 0.00 0.00 0.00 44.72 45.51 1pmh s GLY 117 CO 0.81 0.29 0.60 -1.35 0.00 0.00 0.00 173.10 173.45 1pmh s SER 118 N -2.68 -0.56 0.00 1.64 1.04 -1.26 -1.27 113.70 110.61 1pmh s SER 118 Ca 0.13 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1pmh s SER 118 Cb 0.04 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 1pmh s SER 118 CO -0.04 -0.97 0.02 -1.61 0.98 0.00 0.00 173.24 171.62 1pmh s GLU 119 N -3.75 0.22 0.20 4.02 2.02 -0.63 -5.01 118.70 115.76 1pmh s GLU 119 Ca 0.01 -0.28 0.09 0.00 0.02 0.00 0.00 54.97 54.81 1pmh s GLU 119 Cb -0.01 0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.26 1pmh s GLU 119 CO -0.13 -0.04 -0.06 -0.06 0.02 0.00 0.00 175.26 174.99 1pmh s PHE 120 N -0.78 2.68 -1.40 1.61 0.40 -1.26 -1.35 117.98 117.87 1pmh s PHE 120 Ca -0.09 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 55.94 1pmh s PHE 120 Cb -0.05 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.23 1pmh s PHE 120 CO -0.00 0.54 1.07 0.09 0.70 0.00 0.00 175.22 177.62 1pmh n ASN 121 N -0.19 -5.15 -4.71 1.36 4.13 -1.12 -4.92 115.26 104.66 1pmh n ASN 121 Ca -0.10 -0.65 -0.42 0.00 1.68 0.00 0.00 54.58 55.10 1pmh n ASN 121 Cb 0.56 -4.59 -0.03 0.00 -1.54 0.00 0.00 39.78 34.18 1pmh n ASN 121 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pmh s ILE 122 N -3.34 3.49 0.37 2.41 -1.09 0.74 -4.77 121.20 119.01 1pmh s ILE 122 Ca 0.53 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 60.03 1pmh s ILE 122 Cb -0.25 -3.68 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1pmh s ILE 122 CO 0.77 0.07 0.11 0.35 -1.23 0.00 0.00 174.94 175.01 1pmh n THR 123 N 4.03 0.00 0.28 2.92 -2.24 -1.26 -1.54 114.28 116.46 1pmh n THR 123 Ca 0.11 -2.10 0.14 0.00 -2.27 0.00 0.00 64.05 59.94 1pmh n THR 123 Cb 0.43 0.70 0.80 0.00 -2.10 0.00 0.00 70.33 70.16 1pmh n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pmh h ALA 124 N 1.54 1.32 -0.21 6.98 0.00 -1.93 -1.42 119.26 125.54 1pmh h ALA 124 Ca -0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1pmh h ALA 124 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pmh h ALA 124 CO 0.47 0.10 0.00 0.27 0.00 0.00 0.00 179.25 180.09 1pmh n ASN 125 N -3.65 1.68 -4.72 0.00 2.04 -1.26 -4.69 115.26 104.67 1pmh n ASN 125 Ca -0.02 -1.77 -0.31 0.00 -0.44 0.00 0.00 54.58 52.03 1pmh n ASN 125 Cb 0.19 -0.13 0.13 0.00 -2.53 0.00 0.00 39.78 37.43 1pmh n ASN 125 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pmh s ALA 126 N -1.73 1.87 0.00 -2.53 0.00 -0.54 -4.83 121.76 114.01 1pmh s ALA 126 Ca 0.30 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1pmh s ALA 126 Cb 0.16 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1pmh s ALA 126 CO 0.24 -2.24 0.00 0.41 0.00 0.00 0.00 175.76 174.16 1pmh n GLY 127 N -0.37 3.27 3.22 0.00 0.00 -1.26 -4.50 105.19 105.55 1pmh n GLY 127 Ca 0.11 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1pmh n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pmh s LYS 128 N 0.00 1.00 -0.24 1.61 -2.85 -0.60 -4.95 119.74 113.72 1pmh s LYS 128 Ca 0.00 -1.02 -0.15 0.00 -1.00 0.00 0.00 55.97 53.80 1pmh s LYS 128 Cb 0.00 -1.12 -0.04 0.00 -2.06 0.00 0.00 37.83 34.61 1pmh s LYS 128 CO 0.00 0.26 0.38 0.21 0.10 0.00 0.00 175.35 176.30 1pmh s LYS 129 N -1.70 4.09 0.01 1.78 2.20 -1.26 -0.51 119.74 124.35 1pmh s LYS 129 Ca 0.03 0.11 0.05 0.00 -0.36 0.00 0.00 55.97 55.80 1pmh s LYS 129 Cb -0.10 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1pmh s LYS 129 CO 0.03 -0.17 -0.17 0.14 -0.36 0.00 0.00 175.35 174.82 1pmh s VAL 130 N 1.72 1.34 -0.23 4.02 -7.23 -0.30 -4.94 120.40 114.77 1pmh s VAL 130 Ca 0.17 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.37 1pmh s VAL 130 Cb -0.15 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.60 1pmh s VAL 130 CO 0.09 0.26 0.15 -0.75 -0.31 0.00 0.00 175.10 174.54 1pmh s LYS 131 N -0.71 4.08 -0.08 4.82 2.20 -1.26 -0.29 119.74 128.51 1pmh s LYS 131 Ca 0.06 -0.27 -0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1pmh s LYS 131 Cb -0.07 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.76 1pmh s LYS 131 CO 0.00 0.10 -0.04 0.42 -0.36 0.00 0.00 175.35 175.47 1pmh s ILE 132 N 0.93 0.69 -1.38 5.43 1.01 -0.06 -4.87 121.20 122.95 1pmh s ILE 132 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 1pmh s ILE 132 Cb -0.13 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.59 1pmh s ILE 132 CO 0.03 0.30 0.64 0.59 0.00 0.00 0.00 174.94 176.51 1pmh n ASN 133 N 4.82 -1.38 0.00 3.58 3.02 -1.26 -1.85 115.26 122.19 1pmh n ASN 133 Ca -0.13 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1pmh n ASN 133 Cb 0.50 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 1pmh n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pmh n GLY 134 N -1.71 0.59 3.03 7.41 0.00 -1.26 -5.00 105.19 108.25 1pmh n GLY 134 Ca -0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 1pmh n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pmh s LYS 135 N -0.18 0.69 0.27 1.61 2.20 -0.77 -5.14 119.74 118.42 1pmh s LYS 135 Ca 0.00 -0.42 -0.22 0.00 -0.36 0.00 0.00 55.97 54.97 1pmh s LYS 135 Cb 0.00 -0.65 -0.09 0.00 -1.51 0.00 0.00 37.83 35.59 1pmh s LYS 135 CO 0.00 0.17 0.82 -0.51 -0.36 0.00 0.00 175.35 175.47 1pmh s ASP 136 N -0.50 7.17 0.02 1.43 1.01 -1.26 -0.88 116.67 123.65 1pmh s ASP 136 Ca 0.01 1.59 0.03 0.00 0.71 0.00 0.00 52.55 54.90 1pmh s ASP 136 Cb -0.05 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1pmh s ASP 136 CO 0.00 -0.02 -0.10 -0.31 0.21 0.00 0.00 175.17 174.95 1pmh s TYR 137 N -1.58 0.92 -0.06 4.23 1.51 0.61 -0.93 117.35 122.04 1pmh s TYR 137 Ca 0.46 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.95 1pmh s TYR 137 Cb -0.17 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 1pmh s TYR 137 CO 0.22 -0.01 1.18 0.99 -1.11 0.00 0.00 175.55 176.82 1pmh s THR 138 N -0.62 4.32 -0.12 -0.71 2.01 0.36 -1.15 115.64 119.73 1pmh s THR 138 Ca 0.01 1.64 0.02 0.00 0.31 0.00 0.00 61.69 63.67 1pmh s THR 138 Cb -0.06 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1pmh s THR 138 CO 0.00 -0.00 -0.20 0.54 -0.69 0.00 0.00 174.62 174.28 1pmh s VAL 139 N 2.18 1.82 -0.20 3.82 0.11 0.33 -0.93 120.40 127.54 1pmh s VAL 139 Ca 0.55 -0.85 -0.03 0.00 -2.93 0.00 0.00 61.98 58.73 1pmh s VAL 139 Cb -0.24 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 32.98 1pmh s VAL 139 CO 0.21 0.50 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.78 1pmh s ILE 140 N 0.79 3.18 -0.19 7.04 1.01 -1.26 -1.55 121.20 130.21 1pmh s ILE 140 Ca -0.09 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1pmh s ILE 140 Cb -0.16 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 39.95 1pmh s ILE 140 CO 0.00 0.45 -0.01 -2.28 0.00 0.00 0.00 174.94 173.11 1pmh s HIS 141 N 1.25 1.56 0.05 3.97 2.46 -1.26 -4.22 115.29 119.11 1pmh s HIS 141 Ca 0.03 -1.14 -0.01 0.00 0.47 0.00 0.00 55.06 54.41 1pmh s HIS 141 Cb -0.14 -1.24 -0.04 0.00 -0.13 0.00 0.00 32.58 31.02 1pmh s HIS 141 CO -0.03 -0.65 -0.03 0.15 -2.47 0.00 0.00 174.74 171.71 1pmh s LYS 142 N 1.68 0.62 -0.04 2.88 -0.14 -0.98 -5.01 119.74 118.74 1pmh s LYS 142 Ca -0.02 -1.22 0.03 0.00 -1.36 0.00 0.00 55.97 53.41 1pmh s LYS 142 Cb -0.17 0.19 0.00 0.00 -1.68 0.00 0.00 37.83 36.17 1pmh s LYS 142 CO -0.07 -0.10 -0.13 0.00 -0.76 0.00 0.00 175.35 174.28 1pmh s ALA 143 N -3.88 1.24 0.05 5.17 0.00 -1.26 -1.71 121.76 121.37 1pmh s ALA 143 Ca 0.07 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.59 1pmh s ALA 143 Cb 0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1pmh s ALA 143 CO -0.10 0.19 -0.12 -0.06 0.00 0.00 0.00 175.76 175.68 1pmh s PHE 144 N 0.24 2.73 0.34 0.00 0.08 -0.14 -4.89 117.98 116.35 1pmh s PHE 144 Ca -0.06 -0.15 -0.28 0.00 0.12 0.00 0.00 56.93 56.56 1pmh s PHE 144 Cb -0.12 -1.50 -0.10 0.00 -0.57 0.00 0.00 43.02 40.73 1pmh s PHE 144 CO 0.02 0.35 1.25 0.00 -0.10 0.00 0.00 175.22 176.73 1pmh s ALA 145 N -1.04 3.41 -0.28 5.36 0.00 -1.26 -1.10 121.76 126.85 1pmh s ALA 145 Ca 0.18 1.15 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 1pmh s ALA 145 Cb -0.11 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1pmh s ALA 145 CO 0.09 -0.55 0.74 0.42 0.00 0.00 0.00 175.76 176.46 1pmh s ILE 146 N -1.19 4.87 0.72 0.00 1.01 -0.22 -4.79 121.20 121.60 1pmh s ILE 146 Ca 0.50 1.20 -0.13 0.00 0.00 0.00 0.00 60.65 62.22 1pmh s ILE 146 Cb -0.37 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.07 1pmh s ILE 146 CO 0.48 -0.14 1.12 -2.16 0.00 0.00 0.00 174.94 174.25 1pmh s PRO 147 N 2.78 2.38 0.28 2.79 0.04 -1.26 -4.79 135.00 137.21 1pmh s PRO 147 Ca 0.30 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1pmh s PRO 147 Cb -0.15 -1.90 0.51 0.00 0.04 0.00 0.00 34.50 33.01 1pmh s PRO 147 CO 0.10 -1.58 1.85 0.93 0.04 0.00 0.00 177.00 178.34 1pmh h GLU 148 N -0.51 1.02 0.00 4.56 3.07 -1.97 0.31 114.58 121.06 1pmh h GLU 148 Ca -0.46 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1pmh h GLU 148 Cb 1.25 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1pmh h GLU 148 CO 0.51 0.68 0.00 -0.40 -1.40 0.00 0.00 179.01 178.40 1pmh n ASP 149 N -4.58 0.28 -0.84 1.42 5.75 -1.26 -1.64 116.55 115.69 1pmh n ASP 149 Ca 0.18 0.57 0.12 0.00 -0.01 0.00 0.00 54.79 55.65 1pmh n ASP 149 Cb 0.30 -0.63 0.22 0.00 -1.03 0.00 0.00 41.12 39.98 1pmh n ASP 149 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1pmh n PHE 150 N -1.81 0.03 -2.18 2.11 3.01 0.09 -4.71 117.46 114.00 1pmh n PHE 150 Ca 0.03 -0.02 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 1pmh n PHE 150 Cb 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1pmh n PHE 150 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pmh n ARG 151 N 1.04 3.44 -3.15 -1.08 1.74 -0.65 -4.55 116.66 113.45 1pmh n ARG 151 Ca 0.16 -3.29 -0.02 0.00 -0.77 0.00 0.00 57.85 53.92 1pmh n ARG 151 Cb 0.53 -3.01 0.01 0.00 -1.02 0.00 0.00 32.46 28.98 1pmh n ARG 151 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1pmh n THR 152 N 3.75 0.00 -2.24 0.55 5.66 -1.26 -3.68 114.28 117.06 1pmh n THR 152 Ca 0.43 -0.40 -0.42 0.00 -3.05 0.00 0.00 64.05 60.61 1pmh n THR 152 Cb 0.37 0.55 -0.03 0.00 -1.55 0.00 0.00 70.33 69.67 1pmh n THR 152 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1pmh s LYS 153 N -2.04 4.31 0.07 1.09 1.02 -1.26 -1.08 119.74 121.85 1pmh s LYS 153 Ca 0.16 1.96 -0.02 0.00 0.02 0.00 0.00 55.97 58.09 1pmh s LYS 153 Cb -0.02 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1pmh s LYS 153 CO 0.04 -0.51 0.02 0.15 -0.92 0.00 0.00 175.35 174.14 1pmh s LYS 154 N 1.95 0.71 0.12 1.68 -0.14 -0.52 -4.93 119.74 118.62 1pmh s LYS 154 Ca 0.63 -1.22 -0.32 0.00 -1.36 0.00 0.00 55.97 53.70 1pmh s LYS 154 Cb -0.32 0.24 -0.12 0.00 -1.68 0.00 0.00 37.83 35.95 1pmh s LYS 154 CO 0.28 -0.17 1.78 -2.13 -0.76 0.00 0.00 175.35 174.35 1pmh n ARG 155 N 0.04 2.61 -0.99 1.68 0.63 -1.26 -0.80 116.66 118.57 1pmh n ARG 155 Ca -0.13 0.95 -0.21 0.00 -0.92 0.00 0.00 57.85 57.54 1pmh n ARG 155 Cb 0.62 -2.81 0.05 0.00 0.45 0.00 0.00 32.46 30.77 1pmh n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pmh n ALA 156 N 5.08 5.39 -3.24 5.13 0.00 -0.27 -4.43 120.51 128.17 1pmh n ALA 156 Ca 0.18 -2.08 -0.36 0.00 0.00 0.00 0.00 53.44 51.18 1pmh n ALA 156 Cb 0.35 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 1pmh n ALA 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pmh s GLN 157 N -2.29 3.54 -0.13 0.00 0.74 -1.26 -1.22 119.66 119.04 1pmh s GLN 157 Ca 0.39 -0.54 -0.12 0.00 0.05 0.00 0.00 55.36 55.14 1pmh s GLN 157 Cb 0.31 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 31.19 1pmh s GLN 157 CO -0.00 -0.18 0.27 -1.17 -0.55 0.00 0.00 175.29 173.65 1pmh s LEU 158 N 1.52 4.30 -0.06 3.68 2.96 -0.35 -0.75 118.68 129.98 1pmh s LEU 158 Ca 0.06 0.54 0.04 0.00 -0.22 0.00 0.00 54.13 54.55 1pmh s LEU 158 Cb -0.15 -2.33 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 1pmh s LEU 158 CO 0.01 0.19 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.35 1pmh s VAL 159 N -0.01 1.62 -0.25 1.68 1.01 0.10 -1.01 120.40 123.55 1pmh s VAL 159 Ca 0.16 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1pmh s VAL 159 Cb -0.13 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1pmh s VAL 159 CO 0.05 0.46 0.04 -0.36 0.00 0.00 0.00 175.10 175.28 1pmh s PHE 160 N 0.20 3.06 -0.15 5.22 0.40 0.15 -0.88 117.98 125.98 1pmh s PHE 160 Ca -0.09 -0.69 -0.08 0.00 -0.60 0.00 0.00 56.93 55.46 1pmh s PHE 160 Cb -0.14 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1pmh s PHE 160 CO 0.04 -0.46 0.13 -1.14 0.70 0.00 0.00 175.22 174.50 1pmh s GLN 161 N 1.55 3.68 0.00 0.44 0.74 -0.26 -1.08 119.66 124.74 1pmh s GLN 161 Ca 0.05 -0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.37 1pmh s GLN 161 Cb -0.15 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 1pmh s GLN 161 CO 0.01 0.62 -0.23 -0.06 -0.55 0.00 0.00 175.29 175.08 1pmh s PHE 162 N -0.56 2.06 -0.11 1.67 0.40 -0.36 -1.27 117.98 119.80 1pmh s PHE 162 Ca 0.13 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1pmh s PHE 162 Cb -0.12 -1.29 0.06 0.00 0.51 0.00 0.00 43.02 42.18 1pmh s PHE 162 CO 0.02 0.01 0.20 0.00 0.70 0.00 0.00 175.22 176.15 1pmh s ALA 163 N -0.63 -0.28 0.26 5.36 0.00 -0.03 -0.54 121.76 125.90 1pmh s ALA 163 Ca 0.09 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1pmh s ALA 163 Cb -0.09 -0.94 -0.10 0.00 0.00 0.00 0.00 23.12 21.99 1pmh s ALA 163 CO 0.00 -0.68 1.42 0.20 0.00 0.00 0.00 175.76 176.70 1pmh s GLY 164 N 2.33 2.42 -0.63 0.00 0.00 -0.41 -0.79 107.32 110.23 1pmh s GLY 164 Ca 0.03 1.31 0.01 0.00 0.00 0.00 0.00 44.72 46.07 1pmh s GLY 164 CO -0.07 2.22 0.42 1.20 0.00 0.00 0.00 173.10 176.87 1pmh s GLN 165 N -0.54 2.41 -1.47 2.90 -0.21 0.38 -0.63 119.66 122.50 1pmh s GLN 165 Ca 0.58 -2.80 -0.11 0.00 0.02 0.00 0.00 55.36 53.04 1pmh s GLN 165 Cb -0.41 -3.55 0.06 0.00 1.00 0.00 0.00 33.01 30.11 1pmh s GLN 165 CO 0.44 -1.18 0.90 0.09 -2.12 0.00 0.00 175.29 173.42 1pmh n ASN 166 N 2.94 -5.16 -4.88 5.90 3.02 -0.26 -2.59 115.26 114.23 1pmh n ASN 166 Ca 0.10 -0.61 -0.33 0.00 -0.03 0.00 0.00 54.58 53.71 1pmh n ASN 166 Cb 0.35 -4.13 -0.05 0.00 -0.61 0.00 0.00 39.78 35.34 1pmh n ASN 166 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pmh s SER 167 N -3.13 6.57 -0.13 6.41 0.15 -1.26 -3.57 113.70 118.74 1pmh s SER 167 Ca 0.57 0.70 0.15 0.00 0.70 0.00 0.00 55.95 58.07 1pmh s SER 167 Cb -0.28 -2.14 0.46 0.00 -1.71 0.00 0.00 66.02 62.36 1pmh s SER 167 CO 0.70 0.10 1.37 -0.46 1.20 0.00 0.00 173.24 176.15 1pmh n ASN 168 N 0.47 3.59 -4.73 5.45 6.94 -1.20 -1.46 115.26 124.32 1pmh n ASN 168 Ca -0.05 -2.72 -0.42 0.00 -0.02 0.00 0.00 54.58 51.37 1pmh n ASN 168 Cb 0.52 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1pmh n ASN 168 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1pmh s TYR 169 N -2.30 3.06 -0.21 -2.53 5.04 -1.26 -4.74 117.35 114.40 1pmh s TYR 169 Ca 0.36 0.86 -0.02 0.00 -2.44 0.00 0.00 57.07 55.83 1pmh s TYR 169 Cb 0.28 -3.85 0.06 0.00 0.35 0.00 0.00 41.96 38.80 1pmh s TYR 169 CO 0.11 -2.95 0.04 0.15 -1.34 0.00 0.00 175.55 171.55 1pmh s LYS 170 N 0.37 0.72 0.00 4.97 1.02 -1.26 -1.21 119.74 124.36 1pmh s LYS 170 Ca 0.64 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1pmh s LYS 170 Cb -0.42 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1pmh s LYS 170 CO 0.37 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 1pmh n GLY 171 N 5.01 -1.83 3.82 -3.33 0.00 -0.63 -5.00 105.19 103.23 1pmh n GLY 171 Ca -0.08 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 1pmh n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pmh s PRO 172 N -1.72 4.09 -0.06 1.61 0.04 -1.26 -1.22 135.00 136.48 1pmh s PRO 172 Ca 0.00 1.09 0.03 0.00 0.04 0.00 0.00 61.00 62.17 1pmh s PRO 172 Cb 0.00 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1pmh s PRO 172 CO 0.00 -0.15 -0.16 0.42 0.04 0.00 0.00 177.00 177.15 1pmh s ILE 173 N -2.30 1.35 0.02 0.56 1.01 0.27 -4.38 121.20 117.73 1pmh s ILE 173 Ca 0.62 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1pmh s ILE 173 Cb -0.10 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1pmh s ILE 173 CO 0.20 0.40 -0.04 -0.31 0.00 0.00 0.00 174.94 175.18 1pmh s TYR 174 N 0.31 2.95 0.03 3.97 1.51 0.04 -0.44 117.35 125.72 1pmh s TYR 174 Ca -0.09 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.03 1pmh s TYR 174 Cb -0.14 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1pmh s TYR 174 CO 0.03 0.42 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.17 1pmh s LEU 175 N -1.61 2.45 0.18 -1.29 1.43 -0.09 -0.91 118.68 118.84 1pmh s LEU 175 Ca 0.19 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 1pmh s LEU 175 Cb -0.11 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.68 1pmh s LEU 175 CO 0.10 0.27 0.42 -0.62 0.23 0.00 0.00 176.35 176.75 1pmh s ASP 176 N -1.28 -0.13 -1.36 2.29 -1.08 -0.24 -1.08 116.67 113.80 1pmh s ASP 176 Ca 0.13 -0.64 -0.01 0.00 -0.52 0.00 0.00 52.55 51.51 1pmh s ASP 176 Cb -0.10 0.52 -0.00 0.00 -1.46 0.00 0.00 42.92 41.87 1pmh s ASP 176 CO 0.04 -0.98 0.52 0.59 0.52 0.00 0.00 175.17 175.86 1pmh n ASN 177 N -0.28 -0.83 -4.65 -0.34 3.02 -1.17 -1.51 115.26 109.50 1pmh n ASN 177 Ca -0.09 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.09 1pmh n ASN 177 Cb 0.63 -3.39 -0.03 0.00 -0.61 0.00 0.00 39.78 36.38 1pmh n ASN 177 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pmh s VAL 178 N -3.84 4.77 -0.03 2.41 1.01 -0.39 -3.93 120.40 120.41 1pmh s VAL 178 Ca 0.03 1.76 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1pmh s VAL 178 Cb -0.01 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1pmh s VAL 178 CO 0.86 -0.12 -0.11 -0.13 0.00 0.00 0.00 175.10 175.61 1pmh s ARG 179 N 2.98 1.10 -0.31 2.72 0.52 -0.06 -0.18 118.95 125.72 1pmh s ARG 179 Ca 0.39 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 55.14 1pmh s ARG 179 Cb -0.15 -1.01 -0.01 0.00 0.52 0.00 0.00 34.95 34.30 1pmh s ARG 179 CO 0.07 0.14 0.15 0.42 0.02 0.00 0.00 175.30 176.11 1pmh s ILE 180 N 0.13 4.65 0.05 1.52 -1.09 -0.29 -0.84 121.20 125.33 1pmh s ILE 180 Ca -0.03 -0.38 0.06 0.00 -2.23 0.00 0.00 60.65 58.08 1pmh s ILE 180 Cb -0.09 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1pmh s ILE 180 CO 0.01 0.08 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.49 1pmh s ARG 181 N 1.62 1.14 0.52 2.79 0.52 -0.27 -1.23 118.95 124.04 1pmh s ARG 181 Ca 0.05 -0.89 0.33 0.00 -0.52 0.00 0.00 55.73 54.70 1pmh s ARG 181 Cb -0.17 -1.23 1.42 0.00 0.52 0.00 0.00 34.95 35.49 1pmh s ARG 181 CO 0.06 0.30 1.98 -1.00 0.02 0.00 0.00 175.30 176.67 1pmh h PRO 182 N 4.79 0.00 -6.90 3.54 0.13 -1.86 0.47 132.00 132.16 1pmh h PRO 182 Ca -0.41 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.19 1pmh h PRO 182 Cb 1.17 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.39 1pmh h PRO 182 CO 0.43 0.00 0.76 -1.21 -0.23 0.00 0.00 178.00 177.75 1pmh s GLU 183 N -3.66 4.18 0.48 0.86 8.01 -1.26 -4.12 118.70 123.18 1pmh s GLU 183 Ca 0.01 2.47 -0.23 0.00 0.01 0.00 0.00 54.97 57.23 1pmh s GLU 183 Cb 0.09 -3.01 -0.07 0.00 -4.31 0.00 0.00 34.13 26.84 1pmh s GLU 183 CO 0.50 -0.45 1.22 -0.51 0.01 0.00 0.00 175.26 176.03 1pmh s ASP 184 N -0.13 5.96 0.00 -0.19 1.11 -1.26 -3.39 116.67 118.77 1pmh s ASP 184 Ca 0.53 2.45 0.27 0.00 0.18 0.00 0.00 52.55 55.98 1pmh s ASP 184 Cb -0.45 -2.61 1.64 0.00 1.07 0.00 0.00 42.92 42.57 1pmh s ASP 184 CO 0.58 -1.07 1.98 0.00 1.18 0.00 0.00 175.17 177.84