#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmr s SER 2 N 0.00 -0.18 -1.27 6.43 1.04 -1.26 -3.22 113.70 115.24 1pmr s SER 2 Ca 0.00 -0.34 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 1pmr s SER 2 Cb 0.00 0.45 0.16 0.00 0.10 0.00 0.00 66.02 66.73 1pmr s SER 2 CO 0.00 -0.82 1.78 0.52 0.98 0.00 0.00 173.24 175.71 1pmr n VAL 3 N -0.45 4.27 -2.46 5.02 0.31 -1.12 -4.46 118.33 119.44 1pmr n VAL 3 Ca -0.06 -4.41 -0.39 0.00 -0.01 0.00 0.00 64.34 59.46 1pmr n VAL 3 Cb 0.61 -2.40 -0.02 0.00 -0.91 0.00 0.00 33.84 31.13 1pmr n VAL 3 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1pmr s ASP 4 N 1.54 6.40 0.29 4.52 1.01 -1.26 -2.61 116.67 126.55 1pmr s ASP 4 Ca 0.41 -2.17 -0.02 0.00 0.71 0.00 0.00 52.55 51.48 1pmr s ASP 4 Cb 0.07 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1pmr s ASP 4 CO 0.00 -1.63 0.51 -0.51 0.21 0.00 0.00 175.17 173.74 1pmr s ILE 5 N 5.85 5.10 0.00 0.77 1.10 -0.93 -4.98 121.20 128.11 1pmr s ILE 5 Ca 0.57 -0.26 0.00 0.00 -0.51 0.00 0.00 60.65 60.45 1pmr s ILE 5 Cb 0.02 -3.78 0.00 0.00 0.15 0.00 0.00 42.46 38.85 1pmr s ILE 5 CO 0.08 -0.37 0.00 0.18 -2.11 0.00 0.00 174.94 172.71 1pmr n LEU 6 N -1.19 0.00 -3.18 8.50 4.32 -1.26 0.21 117.00 124.40 1pmr n LEU 6 Ca -0.04 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.74 1pmr n LEU 6 Cb 0.55 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.30 1pmr n LEU 6 CO 0.48 0.00 -0.20 0.52 -1.22 0.00 0.00 177.39 176.98 1pmr n VAL 7 N 0.00 0.13 -0.69 4.08 0.31 -1.22 -4.59 118.33 116.35 1pmr n VAL 7 Ca 0.00 -4.54 -0.05 0.00 -0.01 0.00 0.00 64.34 59.74 1pmr n VAL 7 Cb 0.00 -1.00 -0.05 0.00 -0.91 0.00 0.00 33.84 31.87 1pmr n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1pmr n PRO 8 N 0.61 1.36 -1.12 5.55 -0.04 -1.26 -2.09 135.00 138.01 1pmr n PRO 8 Ca 0.25 -0.41 0.03 0.00 -0.04 0.00 0.00 63.50 63.33 1pmr n PRO 8 Cb 0.58 -1.35 0.12 0.00 -0.04 0.00 0.00 33.50 32.81 1pmr n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pmr n ASP 9 N 1.74 1.63 -4.77 3.54 9.92 -1.26 -4.90 116.55 122.45 1pmr n ASP 9 Ca 0.15 -3.10 -0.38 0.00 -0.53 0.00 0.00 54.79 50.93 1pmr n ASP 9 Cb 0.63 -0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 40.66 1pmr n ASP 9 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1pmr s LEU 10 N -2.07 4.15 0.05 0.64 2.34 -1.26 -4.91 118.68 117.62 1pmr s LEU 10 Ca 0.37 2.30 0.28 0.00 0.06 0.00 0.00 54.13 57.13 1pmr s LEU 10 Cb 0.38 -4.09 1.10 0.00 -0.56 0.00 0.00 46.19 43.02 1pmr s LEU 10 CO -0.10 -0.70 1.86 -0.81 -1.06 0.00 0.00 176.35 175.55 1pmr n PRO 11 N -0.05 0.06 -1.34 1.48 -0.04 -1.26 -4.89 135.00 128.96 1pmr n PRO 11 Ca 0.05 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1pmr n PRO 11 Cb 0.47 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1pmr n PRO 11 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pmr n GLU 12 N -1.69 -1.36 0.00 0.54 0.00 -1.26 -4.73 120.64 112.15 1pmr n GLU 12 Ca 0.07 0.88 0.00 0.00 0.00 0.00 0.00 57.16 58.11 1pmr n GLU 12 Cb 0.36 -5.12 0.00 0.00 0.00 0.00 0.00 31.44 26.68 1pmr n GLU 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1pmr n SER 13 N -0.82 0.40 0.00 4.31 7.64 -1.26 -5.00 113.62 118.89 1pmr n SER 13 Ca -0.12 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1pmr n SER 13 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1pmr n SER 13 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pmr n VAL 14 N -0.08 0.00 0.00 0.44 0.31 -1.26 -5.09 118.33 112.66 1pmr n VAL 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1pmr n VAL 14 Cb 0.34 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1pmr n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pmr n ALA 15 N -3.00 0.00 -3.00 3.52 0.00 -1.26 -5.15 120.51 111.62 1pmr n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pmr n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pmr n ALA 15 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pmr n ASP 16 N 0.00 0.00 -1.41 0.00 5.75 -1.26 -4.91 116.55 114.72 1pmr n ASP 16 Ca 0.00 -0.37 -0.01 0.00 -0.01 0.00 0.00 54.79 54.40 1pmr n ASP 16 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pmr n ALA 17 N -3.00 -0.47 -3.63 2.12 0.00 0.45 -4.69 120.51 111.29 1pmr n ALA 17 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1pmr n ALA 17 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 1pmr n ALA 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pmr s THR 18 N -2.51 -0.00 -1.08 0.00 2.01 -1.03 -2.53 115.64 110.49 1pmr s THR 18 Ca 0.04 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 1pmr s THR 18 Cb -0.01 -0.99 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 1pmr s THR 18 CO 0.01 0.00 1.92 -0.69 -0.69 0.00 0.00 174.62 175.17 1pmr s VAL 19 N 1.01 3.54 0.11 3.82 1.01 -1.15 0.12 120.40 128.86 1pmr s VAL 19 Ca -0.05 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 1pmr s VAL 19 Cb -0.05 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 1pmr s VAL 19 CO -0.10 -1.04 1.39 0.00 0.00 0.00 0.00 175.10 175.36 1pmr h ALA 20 N 10.21 -0.45 -1.70 5.51 0.00 0.94 0.47 119.26 134.23 1pmr h ALA 20 Ca 0.18 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1pmr h ALA 20 Cb 0.96 1.22 -0.24 0.00 0.00 0.00 0.00 17.79 19.73 1pmr h ALA 20 CO 1.23 -0.73 0.18 0.99 0.00 0.00 0.00 179.25 180.93 1pmr s THR 21 N -4.82 -0.15 0.00 0.00 2.01 -1.06 -4.29 115.64 107.34 1pmr s THR 21 Ca -0.09 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1pmr s THR 21 Cb 0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1pmr s THR 21 CO 0.44 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 175.16 1pmr n TRP 22 N 4.23 -2.33 -2.53 4.92 7.02 -1.26 -2.73 117.44 124.76 1pmr n TRP 22 Ca -0.18 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.29 1pmr n TRP 22 Cb 0.57 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.49 1pmr n TRP 22 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1pmr n HIS 23 N -2.11 -0.18 -4.36 -5.99 8.25 -1.26 -4.84 115.22 104.73 1pmr n HIS 23 Ca 0.00 -1.27 -0.18 0.00 -0.26 0.00 0.00 57.72 56.00 1pmr n HIS 23 Cb 0.00 0.41 -0.10 0.00 1.12 0.00 0.00 29.99 31.42 1pmr n HIS 23 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1pmr s LYS 24 N -1.04 1.45 0.06 -0.41 2.47 -1.26 -4.82 119.74 116.18 1pmr s LYS 24 Ca 0.18 -1.77 0.00 0.00 -1.56 0.00 0.00 55.97 52.82 1pmr s LYS 24 Cb 0.30 -0.54 -0.00 0.00 -1.46 0.00 0.00 37.83 36.13 1pmr s LYS 24 CO -0.09 -0.20 0.00 1.63 0.16 0.00 0.00 175.35 176.86 1pmr n LYS 25 N -0.51 1.72 -1.99 4.03 4.76 -1.26 -5.00 118.16 119.91 1pmr n LYS 25 Ca -0.02 -0.42 -0.26 0.00 -2.87 0.00 0.00 58.31 54.74 1pmr n LYS 25 Cb 0.66 0.13 -0.06 0.00 -1.84 0.00 0.00 35.03 33.91 1pmr n LYS 25 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1pmr s PRO 26 N -2.20 2.36 -0.18 1.97 0.04 -1.26 -3.18 135.00 132.54 1pmr s PRO 26 Ca 0.00 -0.64 -0.00 0.00 0.04 0.00 0.00 61.00 60.40 1pmr s PRO 26 Cb 0.00 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1pmr s PRO 26 CO 0.00 -3.88 0.15 0.41 0.04 0.00 0.00 177.00 173.72 1pmr n GLY 27 N 6.33 0.37 0.00 0.56 0.00 -0.22 -4.81 105.19 107.42 1pmr n GLY 27 Ca 0.43 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1pmr n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pmr n ASP 28 N -1.07 0.00 0.00 1.61 8.00 -1.19 -4.61 116.55 119.29 1pmr n ASP 28 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1pmr n ASP 28 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr n ALA 29 N -3.00 0.00 -2.18 2.24 0.00 -1.20 -4.71 120.51 111.65 1pmr n ALA 29 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1pmr n ALA 29 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1pmr n ALA 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pmr s VAL 30 N 0.00 2.13 0.00 0.00 0.11 -0.24 -4.89 120.40 117.51 1pmr s VAL 30 Ca 0.00 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 57.83 1pmr s VAL 30 Cb 0.00 -2.35 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 1pmr s VAL 30 CO 0.00 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.29 1pmr n VAL 31 N -1.94 0.00 -2.35 2.04 0.31 -1.26 -2.83 118.33 112.30 1pmr n VAL 31 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.98 1pmr n VAL 31 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1pmr n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1pmr n ARG 32 N 0.00 3.12 0.00 5.55 0.63 -1.26 -2.04 116.66 122.66 1pmr n ARG 32 Ca 0.00 -3.12 0.00 0.00 -0.92 0.00 0.00 57.85 53.81 1pmr n ARG 32 Cb 0.00 -3.40 0.00 0.00 0.45 0.00 0.00 32.46 29.51 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pmr n ASP 33 N 7.49 0.00 -4.81 6.15 8.00 -1.26 -4.96 116.55 127.16 1pmr n ASP 33 Ca 0.49 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.72 1pmr n ASP 33 Cb 0.44 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.63 1pmr n ASP 33 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1pmr s GLU 34 N 0.00 1.90 0.49 -1.24 -6.30 -0.21 -4.83 118.70 108.51 1pmr s GLU 34 Ca 0.00 -0.19 -0.10 0.00 -2.50 0.00 0.00 54.97 52.18 1pmr s GLU 34 Cb 0.00 -2.06 -0.09 0.00 0.00 0.00 0.00 34.13 31.98 1pmr s GLU 34 CO 0.00 -1.51 -0.34 1.55 0.02 0.00 0.00 175.26 174.97 1pmr n VAL 35 N -3.15 0.00 -3.10 3.70 3.14 -1.26 -3.63 118.33 114.03 1pmr n VAL 35 Ca 0.09 -0.29 -0.18 0.00 -2.96 0.00 0.00 64.34 61.01 1pmr n VAL 35 Cb 0.61 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.37 1pmr n VAL 35 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1pmr n LEU 36 N 1.83 -0.02 -3.88 6.55 4.32 -1.16 -2.68 117.00 121.96 1pmr n LEU 36 Ca 0.01 -4.64 -0.37 0.00 -0.02 0.00 0.00 56.01 50.99 1pmr n LEU 36 Cb 0.31 0.74 0.03 0.00 -1.62 0.00 0.00 43.42 42.87 1pmr n LEU 36 CO 0.31 2.18 -1.93 0.55 -1.22 0.00 0.00 177.39 177.28 1pmr n VAL 37 N 0.68 0.00 -3.77 4.08 3.14 -1.25 -4.17 118.33 117.03 1pmr n VAL 37 Ca 0.20 -0.10 -0.29 0.00 -2.96 0.00 0.00 64.34 61.19 1pmr n VAL 37 Cb 0.63 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.26 1pmr n VAL 37 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1pmr s GLU 38 N -1.94 0.85 0.00 1.45 2.02 -1.11 -3.41 118.70 116.57 1pmr s GLU 38 Ca 0.36 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1pmr s GLU 38 Cb 0.05 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1pmr s GLU 38 CO 0.67 -0.86 0.00 1.51 0.02 0.00 0.00 175.26 176.60 1pmr n ILE 39 N 4.84 0.00 -3.76 -1.63 3.06 -1.17 0.13 119.36 120.84 1pmr n ILE 39 Ca -0.05 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.04 1pmr n ILE 39 Cb 0.43 -1.76 -0.17 0.00 0.54 0.00 0.00 39.64 38.69 1pmr n ILE 39 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1pmr s GLU 40 N 0.63 -0.02 -0.03 9.51 0.41 0.32 -4.17 118.70 125.34 1pmr s GLU 40 Ca 0.00 0.23 0.05 0.00 -0.41 0.00 0.00 54.97 54.83 1pmr s GLU 40 Cb 0.00 -0.34 0.07 0.00 -1.78 0.00 0.00 34.13 32.08 1pmr s GLU 40 CO 0.00 -0.21 0.93 2.41 -0.49 0.00 0.00 175.26 177.90 1pmr n THR 41 N 4.46 0.58 -2.00 3.63 -1.04 0.02 -2.45 114.28 117.48 1pmr n THR 41 Ca -0.22 -0.67 -0.01 0.00 -2.04 0.00 0.00 64.05 61.11 1pmr n THR 41 Cb 0.50 0.43 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 1pmr n THR 41 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pmr n ASP 42 N -0.41 -4.35 0.00 8.00 2.03 -1.26 -4.13 116.55 116.43 1pmr n ASP 42 Ca 0.04 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1pmr n ASP 42 Cb 0.59 -2.71 0.00 0.00 -0.72 0.00 0.00 41.12 38.27 1pmr n ASP 42 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1pmr n LYS 43 N -0.04 0.00 -4.64 -0.67 0.00 -1.26 -4.97 118.16 106.58 1pmr n LYS 43 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.02 1pmr n LYS 43 Cb 0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 35.03 34.81 1pmr n LYS 43 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pmr s VAL 44 N -1.13 2.90 -0.10 3.15 1.01 -1.26 -5.11 120.40 119.85 1pmr s VAL 44 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 1pmr s VAL 44 Cb 0.00 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1pmr s VAL 44 CO 0.00 0.35 -0.02 -0.69 0.00 0.00 0.00 175.10 174.74 1pmr s VAL 45 N -0.93 0.64 0.62 2.92 1.01 -1.26 -0.80 120.40 122.60 1pmr s VAL 45 Ca 0.15 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1pmr s VAL 45 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1pmr s VAL 45 CO 0.06 0.23 1.03 -0.76 0.00 0.00 0.00 175.10 175.66 1pmr s LEU 46 N 1.86 3.24 0.44 3.92 1.43 -1.26 -4.87 118.68 123.43 1pmr s LEU 46 Ca 0.04 1.44 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 1pmr s LEU 46 Cb -0.13 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.56 1pmr s LEU 46 CO -0.07 -0.91 0.04 -1.61 0.23 0.00 0.00 176.35 174.03 1pmr s GLU 47 N -5.12 2.06 -0.42 1.70 2.02 -1.26 -3.02 118.70 114.66 1pmr s GLU 47 Ca 0.55 -2.15 0.07 0.00 0.02 0.00 0.00 54.97 53.47 1pmr s GLU 47 Cb -0.11 -1.67 0.24 0.00 0.10 0.00 0.00 34.13 32.70 1pmr s GLU 47 CO 0.53 -0.15 0.53 0.28 0.02 0.00 0.00 175.26 176.48 1pmr n VAL 48 N -1.10 -0.36 -2.62 2.63 0.31 -1.22 -4.83 118.33 111.13 1pmr n VAL 48 Ca -0.08 -4.12 -0.43 0.00 -0.01 0.00 0.00 64.34 59.70 1pmr n VAL 48 Cb 0.67 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 1pmr n VAL 48 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pmr s PRO 49 N -1.25 4.06 0.50 5.55 0.04 -1.12 -3.01 135.00 139.77 1pmr s PRO 49 Ca 0.35 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.54 1pmr s PRO 49 Cb 0.16 -3.75 0.04 0.00 0.04 0.00 0.00 34.50 30.99 1pmr s PRO 49 CO -0.11 -0.92 0.68 0.00 0.04 0.00 0.00 177.00 176.70 1pmr s ALA 50 N 3.70 4.42 -0.78 8.56 0.00 -1.09 -4.89 121.76 131.69 1pmr s ALA 50 Ca 0.46 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1pmr s ALA 50 Cb -0.12 -1.68 0.21 0.00 0.00 0.00 0.00 23.12 21.52 1pmr s ALA 50 CO 0.16 -0.57 0.68 -1.13 0.00 0.00 0.00 175.76 174.90 1pmr n SER 51 N -2.08 3.70 0.00 0.00 3.41 -1.26 -1.04 113.62 116.34 1pmr n SER 51 Ca 0.10 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1pmr n SER 51 Cb 0.60 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1pmr n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pmr n ALA 52 N 1.85 0.00 -0.00 7.33 0.00 -0.86 -4.72 120.51 124.10 1pmr n ALA 52 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1pmr n ALA 52 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1pmr n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pmr n ASP 53 N -1.14 0.00 -1.40 0.00 9.92 -1.13 -4.67 116.55 118.13 1pmr n ASP 53 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1pmr n ASP 53 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pmr n GLY 54 N 0.00 -0.06 3.56 0.44 0.00 -1.12 -1.08 105.19 106.93 1pmr n GLY 54 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1pmr n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pmr s ILE 55 N -1.33 3.51 -0.90 -0.61 1.01 -1.26 -4.08 121.20 117.54 1pmr s ILE 55 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 1pmr s ILE 55 Cb 0.00 -4.22 -0.25 0.00 0.01 0.00 0.00 42.46 38.00 1pmr s ILE 55 CO 0.00 -1.16 2.30 -0.11 0.00 0.00 0.00 174.94 175.97 1pmr n LEU 56 N 12.40 -0.03 -0.08 2.97 7.94 -1.24 -2.17 117.00 136.78 1pmr n LEU 56 Ca 0.28 -0.81 -0.16 0.00 -1.11 0.00 0.00 56.01 54.21 1pmr n LEU 56 Cb 0.49 -1.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.33 1pmr n LEU 56 CO 0.66 -1.80 0.01 -0.78 -1.11 0.00 0.00 177.39 174.37 1pmr h ASP 57 N 12.09 0.00 -1.85 1.96 1.82 -1.82 -0.55 116.42 128.07 1pmr h ASP 57 Ca 0.01 -0.76 -0.24 0.00 -0.39 0.00 0.00 57.03 55.65 1pmr h ASP 57 Cb 1.11 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.82 1pmr h ASP 57 CO 1.37 1.17 -0.57 0.00 -1.61 0.00 0.00 179.24 179.60 1pmr s ALA 58 N -2.30 -0.96 -0.97 -0.78 0.00 -0.11 -4.95 121.76 111.70 1pmr s ALA 58 Ca -0.22 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 1pmr s ALA 58 Cb 0.01 -1.99 0.08 0.00 0.00 0.00 0.00 23.12 21.21 1pmr s ALA 58 CO 0.62 -1.75 1.32 0.08 0.00 0.00 0.00 175.76 176.03 1pmr s VAL 59 N 2.47 4.19 -1.26 0.00 1.01 -1.26 -1.57 120.40 123.98 1pmr s VAL 59 Ca 0.10 -0.96 0.14 0.00 0.00 0.00 0.00 61.98 61.25 1pmr s VAL 59 Cb -0.13 -4.95 0.19 0.00 0.00 0.00 0.00 36.38 31.49 1pmr s VAL 59 CO -0.31 -1.78 1.39 0.18 0.00 0.00 0.00 175.10 174.58 1pmr n LEU 60 N 8.11 0.00 -2.72 3.92 4.77 -1.02 -2.84 117.00 127.22 1pmr n LEU 60 Ca 0.28 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.45 1pmr n LEU 60 Cb 0.50 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1pmr n LEU 60 CO 0.61 -0.20 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.84 1pmr n GLU 61 N -1.37 2.04 -1.47 3.23 1.02 0.72 -4.89 120.64 119.93 1pmr n GLU 61 Ca 0.05 -3.83 -0.54 0.00 -0.02 0.00 0.00 57.16 52.82 1pmr n GLU 61 Cb 0.13 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 29.76 1pmr n GLU 61 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pmr n ASP 62 N -0.15 -0.32 -3.70 1.62 8.00 -1.13 -4.53 116.55 116.34 1pmr n ASP 62 Ca 0.23 1.15 -0.51 0.00 0.71 0.00 0.00 54.79 56.37 1pmr n ASP 62 Cb 0.70 -0.96 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 1pmr n ASP 62 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1pmr n GLU 63 N 1.35 0.00 0.00 -1.24 0.28 -1.26 -2.16 120.64 117.60 1pmr n GLU 63 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1pmr n GLU 63 Cb 0.16 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 31.82 1pmr n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pmr n GLY 64 N 2.07 1.00 3.91 -1.84 0.00 0.16 -4.92 105.19 105.58 1pmr n GLY 64 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1pmr n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pmr s THR 65 N -2.00 3.17 -0.04 2.61 2.01 -0.92 -4.82 115.64 115.65 1pmr s THR 65 Ca 0.00 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 1pmr s THR 65 Cb 0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1pmr s THR 65 CO 0.00 -0.36 0.39 -0.89 -0.69 0.00 0.00 174.62 173.07 1pmr s THR 66 N -3.18 5.10 0.03 -0.82 2.01 -1.26 -2.94 115.64 114.58 1pmr s THR 66 Ca 0.57 0.79 -0.15 0.00 0.31 0.00 0.00 61.69 63.22 1pmr s THR 66 Cb -0.11 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1pmr s THR 66 CO 0.47 0.53 0.32 0.54 -0.69 0.00 0.00 174.62 175.78 1pmr s VAL 67 N -0.68 0.07 0.00 3.82 0.11 -1.05 -4.98 120.40 117.69 1pmr s VAL 67 Ca 0.23 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1pmr s VAL 67 Cb -0.16 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1pmr s VAL 67 CO 0.11 -0.33 0.00 1.07 -3.33 0.00 0.00 175.10 172.62 1pmr n THR 68 N 0.76 0.00 0.00 5.04 5.66 -1.26 0.17 114.28 124.64 1pmr n THR 68 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1pmr n THR 68 Cb 0.59 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1pmr n THR 68 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1pmr n SER 69 N 0.00 0.00 -4.51 1.09 3.41 -1.26 -4.63 113.62 107.71 1pmr n SER 69 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1pmr n SER 69 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1pmr n SER 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pmr n ARG 70 N 0.00 0.26 -3.87 4.33 1.74 -0.89 -3.42 116.66 114.82 1pmr n ARG 70 Ca 0.00 -1.08 -0.31 0.00 -0.77 0.00 0.00 57.85 55.70 1pmr n ARG 70 Cb 0.00 -3.36 -0.12 0.00 -1.02 0.00 0.00 32.46 27.97 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pmr s GLN 71 N 8.28 2.39 -0.46 5.56 -1.52 -1.26 -4.69 119.66 127.96 1pmr s GLN 71 Ca 0.83 -2.98 -0.29 0.00 -1.95 0.00 0.00 55.36 50.98 1pmr s GLN 71 Cb -0.14 -3.48 -0.14 0.00 -0.22 0.00 0.00 33.01 29.02 1pmr s GLN 71 CO 0.16 -1.20 1.64 1.51 -0.25 0.00 0.00 175.29 177.14 1pmr n ILE 72 N 2.61 0.00 -0.29 1.08 3.06 -1.26 -3.83 119.36 120.74 1pmr n ILE 72 Ca 0.13 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.42 1pmr n ILE 72 Cb 0.34 -0.36 0.26 0.00 0.54 0.00 0.00 39.64 40.42 1pmr n ILE 72 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1pmr h LEU 73 N 7.02 0.87 0.00 9.51 3.38 -0.49 -3.42 115.31 132.18 1pmr h LEU 73 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pmr h LEU 73 Cb 0.99 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1pmr h LEU 73 CO 0.84 0.56 0.00 0.61 0.09 0.00 0.00 178.44 180.54 1pmr n GLY 74 N -1.40 -0.54 3.03 0.83 0.00 -1.20 0.26 105.19 106.17 1pmr n GLY 74 Ca 0.14 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1pmr n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pmr s ARG 75 N -1.92 0.50 0.00 1.61 1.70 -0.61 -2.19 118.95 118.04 1pmr s ARG 75 Ca 0.00 -0.54 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 1pmr s ARG 75 Cb 0.00 -0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.02 1pmr s ARG 75 CO 0.00 0.08 0.00 1.28 -1.08 0.00 0.00 175.30 175.58 1pmr n LEU 76 N 2.05 0.00 -4.44 -1.89 4.77 -1.07 -0.94 117.00 115.48 1pmr n LEU 76 Ca -0.19 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 1pmr n LEU 76 Cb 0.56 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1pmr n LEU 76 CO 0.23 0.00 -0.52 -0.60 -1.33 0.00 0.00 177.39 175.16 1pmr s ARG 77 N 4.70 1.60 0.00 3.23 3.00 -0.92 -2.78 118.95 127.78 1pmr s ARG 77 Ca 0.00 -1.35 0.00 0.00 -1.00 0.00 0.00 55.73 53.38 1pmr s ARG 77 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 34.95 32.98 1pmr s ARG 77 CO 0.00 0.44 0.00 0.39 0.00 0.00 0.00 175.30 176.13 1pmr n GLU 78 N 0.61 0.33 0.00 5.12 -0.58 -1.20 -2.81 120.64 122.11 1pmr n GLU 78 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 1pmr n GLU 78 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pmr n GLY 79 N 0.61 1.24 3.69 0.62 0.00 -1.26 -4.73 105.19 105.36 1pmr n GLY 79 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1pmr n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02