#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 -0.20 -1.35 4.04 1.04 -1.26 -2.00 113.70 113.96 1pmr s SER 2 Ca 0.00 -0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.05 1pmr s SER 2 Cb 0.00 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.54 1pmr s SER 2 CO 0.00 -0.66 1.93 0.52 0.98 0.00 0.00 173.24 176.02 1pmr n VAL 3 N -0.38 3.71 -2.39 5.02 0.31 -1.16 -4.70 118.33 118.73 1pmr n VAL 3 Ca -0.07 -3.63 -0.43 0.00 -0.01 0.00 0.00 64.34 60.20 1pmr n VAL 3 Cb 0.61 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1pmr n VAL 3 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1pmr n ASP 4 N 7.60 4.70 -4.90 4.52 9.92 -1.26 -2.78 116.55 134.35 1pmr n ASP 4 Ca 0.50 -2.91 -0.29 0.00 -0.53 0.00 0.00 54.79 51.56 1pmr n ASP 4 Cb 0.43 -1.72 -0.03 0.00 -0.64 0.00 0.00 41.12 39.16 1pmr n ASP 4 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1pmr s ILE 5 N 3.79 5.01 0.00 0.53 1.10 -1.09 -4.98 121.20 125.56 1pmr s ILE 5 Ca 0.52 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.78 1pmr s ILE 5 Cb 0.06 -3.72 0.00 0.00 0.15 0.00 0.00 42.46 38.95 1pmr s ILE 5 CO 0.03 -0.30 0.00 0.18 -2.11 0.00 0.00 174.94 172.75 1pmr n LEU 6 N -0.84 0.00 -2.81 8.50 4.32 -1.26 0.32 117.00 125.24 1pmr n LEU 6 Ca -0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.78 1pmr n LEU 6 Cb 0.54 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 1pmr n LEU 6 CO 0.48 0.00 -0.02 0.52 -1.22 0.00 0.00 177.39 177.15 1pmr n VAL 7 N 0.00 1.45 -0.59 4.08 0.31 -0.20 -4.60 118.33 118.77 1pmr n VAL 7 Ca 0.00 -4.41 -0.03 0.00 -0.01 0.00 0.00 64.34 59.89 1pmr n VAL 7 Cb 0.00 -0.45 -0.01 0.00 -0.91 0.00 0.00 33.84 32.47 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 -0.11 1.18 0.00 5.55 -0.04 -1.25 -2.35 135.00 137.98 1pmr n PRO 8 Ca 0.25 -0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.52 1pmr n PRO 8 Cb 0.65 -1.16 0.05 0.00 -0.04 0.00 0.00 33.50 33.01 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 1.44 2.31 -3.97 3.54 9.92 -1.26 -4.77 116.55 123.75 1pmr n ASP 9 Ca 0.07 -1.66 -0.30 0.00 -0.53 0.00 0.00 54.79 52.37 1pmr n ASP 9 Cb 0.54 0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.74 4.44 0.00 0.64 0.05 -1.26 -5.00 118.68 115.81 1pmr s LEU 10 Ca 0.20 -2.73 0.00 0.00 0.05 0.00 0.00 54.13 51.65 1pmr s LEU 10 Cb 0.15 -1.63 0.00 0.00 -2.05 0.00 0.00 46.19 42.66 1pmr s LEU 10 CO 0.30 -0.28 0.00 -0.81 -0.55 0.00 0.00 176.35 175.01 1pmr n PRO 11 N 3.49 0.00 -0.32 1.48 -0.04 -1.26 -4.37 135.00 133.97 1pmr n PRO 11 Ca 0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 1pmr n PRO 11 Cb 0.35 -0.06 0.29 0.00 -0.04 0.00 0.00 33.50 34.04 1pmr n PRO 11 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pmr s GLU 12 N 0.00 -2.60 -0.12 0.54 0.41 -1.26 -4.52 118.70 111.15 1pmr s GLU 12 Ca 0.00 0.38 -0.06 0.00 -0.41 0.00 0.00 54.97 54.88 1pmr s GLU 12 Cb 0.00 -1.39 0.02 0.00 -1.78 0.00 0.00 34.13 30.98 1pmr s GLU 12 CO 0.00 -4.72 0.13 0.45 -0.49 0.00 0.00 175.26 170.63 1pmr n SER 13 N -5.56 -3.93 -1.92 -0.19 2.88 -1.26 -4.71 113.62 98.93 1pmr n SER 13 Ca 0.09 1.16 -0.12 0.00 -1.33 0.00 0.00 58.87 58.67 1pmr n SER 13 Cb 0.58 -3.69 -0.05 0.00 -0.75 0.00 0.00 64.21 60.30 1pmr n SER 13 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1pmr n VAL 14 N 1.94 2.71 0.32 2.46 0.31 -1.26 -4.40 118.33 120.41 1pmr n VAL 14 Ca -0.22 -1.52 0.15 0.00 -0.01 0.00 0.00 64.34 62.75 1pmr n VAL 14 Cb 0.36 -1.63 0.66 0.00 -0.91 0.00 0.00 33.84 32.33 1pmr n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pmr h ALA 15 N 2.06 1.00 -0.76 3.52 0.00 -1.94 -3.48 119.26 119.66 1pmr h ALA 15 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pmr h ALA 15 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pmr h ALA 15 CO 0.40 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.40 1pmr n ASP 16 N -2.65 -2.28 -0.24 0.00 8.00 -1.26 -4.94 116.55 113.18 1pmr n ASP 16 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1pmr n ASP 16 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pmr n ALA 17 N 1.74 0.00 -3.64 2.24 0.00 -0.67 -4.43 120.51 115.75 1pmr n ALA 17 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pmr n ALA 17 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.82 -0.23 0.84 0.00 2.01 0.24 -2.34 115.64 113.33 1pmr s THR 18 Ca 0.00 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 1pmr s THR 18 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1pmr s THR 18 CO 0.00 0.00 0.64 0.52 -0.69 0.00 0.00 174.62 175.09 1pmr n VAL 19 N 4.53 1.04 0.08 3.82 0.31 -0.73 0.14 118.33 127.51 1pmr n VAL 19 Ca -0.18 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1pmr n VAL 19 Cb 0.57 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1pmr n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pmr n ALA 20 N -3.15 3.00 -3.57 3.52 0.00 0.27 -2.91 120.51 117.67 1pmr n ALA 20 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pmr n ALA 20 Cb 0.52 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 1pmr n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pmr s THR 21 N -2.00 -0.90 0.07 0.00 2.01 -1.11 -4.27 115.64 109.44 1pmr s THR 21 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1pmr s THR 21 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1pmr s THR 21 CO 0.00 0.00 0.06 0.79 -0.69 0.00 0.00 174.62 174.78 1pmr n TRP 22 N 5.36 -2.93 -2.66 4.92 7.02 -1.26 -2.73 117.44 125.15 1pmr n TRP 22 Ca -0.11 -0.06 -0.01 0.00 -1.02 0.00 0.00 57.50 56.30 1pmr n TRP 22 Cb 0.50 -0.07 0.08 0.00 -2.42 0.00 0.00 31.31 29.40 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 -2.71 -0.77 -3.85 -5.99 8.25 -1.26 -4.86 115.22 104.03 1pmr n HIS 23 Ca 0.01 -1.70 -0.27 0.00 -0.26 0.00 0.00 57.72 55.50 1pmr n HIS 23 Cb 0.03 0.84 -0.17 0.00 1.12 0.00 0.00 29.99 31.82 1pmr n HIS 23 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1pmr s LYS 24 N -1.13 1.20 1.29 -0.41 1.02 -1.26 -4.84 119.74 115.62 1pmr s LYS 24 Ca 0.15 -0.36 -0.20 0.00 0.02 0.00 0.00 55.97 55.58 1pmr s LYS 24 Cb 0.37 -1.79 0.32 0.00 -0.52 0.00 0.00 37.83 36.21 1pmr s LYS 24 CO -0.09 -0.42 1.02 0.15 -0.92 0.00 0.00 175.35 175.09 1pmr s LYS 25 N 1.73 -1.94 -0.78 1.68 3.01 -1.26 -4.80 119.74 117.38 1pmr s LYS 25 Ca 0.02 0.11 -0.25 0.00 -1.01 0.00 0.00 55.97 54.83 1pmr s LYS 25 Cb -0.15 -1.50 -0.05 0.00 -1.01 0.00 0.00 37.83 35.13 1pmr s LYS 25 CO -0.07 -4.22 2.00 -1.25 0.51 0.00 0.00 175.35 172.32 1pmr s PRO 26 N -5.17 2.44 0.00 -1.68 0.04 -1.26 -3.03 135.00 126.34 1pmr s PRO 26 Ca 0.70 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1pmr s PRO 26 Cb -0.13 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.61 1pmr s PRO 26 CO 0.58 -3.30 0.00 0.41 0.04 0.00 0.00 177.00 174.72 1pmr n GLY 27 N 6.46 0.55 0.00 0.56 0.00 -0.75 -4.77 105.19 107.24 1pmr n GLY 27 Ca 0.35 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.47 0.00 0.00 1.61 8.00 -1.17 -4.60 116.55 119.92 1pmr n ASP 28 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1pmr n ASP 28 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 -3.17 2.24 0.00 -1.05 -4.29 120.51 111.24 1pmr n ALA 29 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pmr n ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pmr n ALA 29 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1pmr n VAL 30 N 0.00 0.00 0.00 0.00 3.14 -0.19 -4.86 118.33 116.43 1pmr n VAL 30 Ca 0.00 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1pmr n VAL 30 Cb 0.00 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.96 1pmr n VAL 30 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1pmr n VAL 31 N -0.89 0.00 -1.97 1.55 0.24 -1.26 -2.51 118.33 113.49 1pmr n VAL 31 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1pmr n VAL 31 Cb 0.02 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1pmr n VAL 31 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1pmr n ARG 32 N 0.00 3.91 0.00 7.34 5.12 -1.26 -1.73 116.66 130.05 1pmr n ARG 32 Ca 0.00 -3.18 0.00 0.00 -1.93 0.00 0.00 57.85 52.74 1pmr n ARG 32 Cb 0.00 -2.84 0.00 0.00 -1.16 0.00 0.00 32.46 28.46 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1pmr n ASP 33 N 3.28 0.00 -1.53 0.55 8.00 -1.25 -4.99 116.55 120.61 1pmr n ASP 33 Ca 0.56 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1pmr n ASP 33 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1pmr n ASP 33 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1pmr n GLU 34 N 0.00 1.54 -0.66 -1.24 2.13 -1.16 -4.76 120.64 116.49 1pmr n GLU 34 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1pmr n GLU 34 Cb 0.00 0.00 0.18 0.00 0.27 0.00 0.00 31.44 31.89 1pmr n GLU 34 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1pmr n VAL 35 N -0.71 0.00 -3.08 6.31 3.14 -1.26 -4.26 118.33 118.47 1pmr n VAL 35 Ca 0.00 -0.29 -0.18 0.00 -2.96 0.00 0.00 64.34 60.91 1pmr n VAL 35 Cb 0.00 -0.69 -0.02 0.00 -1.06 0.00 0.00 33.84 32.06 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 -2.29 -0.28 -4.00 6.55 4.32 -1.17 -2.73 117.00 117.39 1pmr n LEU 36 Ca 0.03 -4.51 -0.38 0.00 -0.02 0.00 0.00 56.01 51.13 1pmr n LEU 36 Cb 0.58 0.73 0.03 0.00 -1.62 0.00 0.00 43.42 43.15 1pmr n LEU 36 CO 0.52 2.14 -2.05 0.55 -1.22 0.00 0.00 177.39 177.34 1pmr n VAL 37 N 0.91 0.00 -3.98 4.08 3.14 -1.25 -4.19 118.33 117.04 1pmr n VAL 37 Ca 0.19 -0.01 -0.31 0.00 -2.96 0.00 0.00 64.34 61.25 1pmr n VAL 37 Cb 0.61 -0.02 -0.15 0.00 -1.06 0.00 0.00 33.84 33.22 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 -2.04 1.73 0.00 1.45 2.02 -1.11 -3.54 118.70 117.21 1pmr s GLU 38 Ca 0.36 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1pmr s GLU 38 Cb 0.10 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1pmr s GLU 38 CO 0.64 -0.66 0.00 1.51 0.02 0.00 0.00 175.26 176.77 1pmr n ILE 39 N 4.55 0.00 -3.29 -1.63 0.13 -1.18 0.96 119.36 118.89 1pmr n ILE 39 Ca -0.10 0.00 -0.07 0.00 -1.10 0.00 0.00 62.75 61.48 1pmr n ILE 39 Cb 0.43 -1.41 -0.06 0.00 -0.84 0.00 0.00 39.64 37.76 1pmr n ILE 39 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1pmr s GLU 40 N 0.85 0.42 0.00 9.51 2.02 0.36 -4.54 118.70 127.34 1pmr s GLU 40 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1pmr s GLU 40 Cb 0.00 -0.25 0.00 0.00 0.10 0.00 0.00 34.13 33.98 1pmr s GLU 40 CO 0.00 -0.95 0.00 2.41 0.02 0.00 0.00 175.26 176.74 1pmr n THR 41 N 5.36 0.00 -3.78 3.63 -1.04 -0.98 0.79 114.28 118.26 1pmr n THR 41 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1pmr n THR 41 Cb 0.50 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.88 1pmr n THR 41 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pmr s ASP 42 N -1.00 3.83 0.00 8.00 2.15 -1.26 -4.78 116.67 123.61 1pmr s ASP 42 Ca 0.00 -2.94 0.00 0.00 0.43 0.00 0.00 52.55 50.04 1pmr s ASP 42 Cb 0.00 -1.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.39 1pmr s ASP 42 CO 0.00 -0.22 0.00 1.17 -0.17 0.00 0.00 175.17 175.95 1pmr n LYS 43 N 3.14 0.00 -4.70 4.34 3.00 -1.26 -4.96 118.16 117.72 1pmr n LYS 43 Ca 0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.12 1pmr n LYS 43 Cb 0.35 -0.11 -0.13 0.00 0.00 0.00 0.00 35.03 35.13 1pmr n LYS 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1pmr s VAL 44 N -0.89 2.46 -0.14 3.15 -7.23 -1.26 -5.12 120.40 111.37 1pmr s VAL 44 Ca 0.00 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1pmr s VAL 44 Cb 0.00 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.94 1pmr s VAL 44 CO 0.00 0.30 -0.17 0.54 -0.31 0.00 0.00 175.10 175.47 1pmr s VAL 45 N -0.91 1.69 0.83 1.32 0.11 -1.26 -2.33 120.40 119.86 1pmr s VAL 45 Ca 0.14 -0.73 -0.12 0.00 -2.93 0.00 0.00 61.98 58.33 1pmr s VAL 45 Cb -0.10 -1.55 0.10 0.00 -1.53 0.00 0.00 36.38 33.29 1pmr s VAL 45 CO 0.04 0.48 1.19 -0.76 -3.33 0.00 0.00 175.10 172.73 1pmr s LEU 46 N 1.20 2.49 0.51 2.54 2.01 -1.26 -4.84 118.68 121.32 1pmr s LEU 46 Ca -0.00 0.73 0.01 0.00 0.01 0.00 0.00 54.13 54.88 1pmr s LEU 46 Cb -0.14 -3.16 -0.01 0.00 0.01 0.00 0.00 46.19 42.89 1pmr s LEU 46 CO -0.07 -2.05 0.03 -1.61 1.01 0.00 0.00 176.35 173.66 1pmr s GLU 47 N -5.60 2.18 -0.52 1.70 2.02 -1.26 -3.11 118.70 114.11 1pmr s GLU 47 Ca 0.63 -2.40 0.06 0.00 0.02 0.00 0.00 54.97 53.28 1pmr s GLU 47 Cb -0.10 -1.32 0.22 0.00 0.10 0.00 0.00 34.13 33.03 1pmr s GLU 47 CO 0.50 -0.43 0.56 0.28 0.02 0.00 0.00 175.26 176.18 1pmr n VAL 48 N -1.24 0.52 -2.59 2.63 0.31 -1.23 -4.84 118.33 111.89 1pmr n VAL 48 Ca -0.18 -4.42 -0.42 0.00 -0.01 0.00 0.00 64.34 59.31 1pmr n VAL 48 Cb 0.66 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 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 -1.42 3.39 0.00 5.55 0.04 -1.11 -3.07 135.00 138.39 1pmr s PRO 49 Ca 0.35 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1pmr s PRO 49 Cb 0.11 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1pmr s PRO 49 CO -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 177.00 175.11 1pmr n ALA 50 N 8.67 0.00 -1.48 8.56 0.00 -1.14 -4.80 120.51 130.32 1pmr n ALA 50 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pmr n ALA 50 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1pmr n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pmr n SER 51 N 0.00 0.00 0.00 0.00 3.41 -1.26 -2.98 113.62 112.79 1pmr n SER 51 Ca 0.00 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1pmr n SER 51 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.00 0.00 -0.23 7.33 0.00 -0.70 -3.91 120.51 122.99 1pmr n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pmr n ALA 52 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 0.00 0.00 0.00 9.92 -1.04 -4.77 116.55 120.66 1pmr n ASP 53 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 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 0.00 3.54 0.44 0.00 -1.22 -1.02 105.19 106.93 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 1.39 0.00 0.00 0.00 173.32 174.71 1pmr n ILE 55 N -1.45 -0.06 -1.53 -0.61 5.41 -1.26 -4.00 119.36 115.86 1pmr n ILE 55 Ca 0.00 -0.59 -0.17 0.00 1.00 0.00 0.00 62.75 62.99 1pmr n ILE 55 Cb 0.25 -2.12 -0.14 0.00 -0.71 0.00 0.00 39.64 36.92 1pmr n ILE 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1pmr n LEU 56 N 14.76 0.38 -0.12 1.39 7.94 -1.24 -1.49 117.00 138.63 1pmr n LEU 56 Ca 0.46 -1.07 -0.19 0.00 -1.11 0.00 0.00 56.01 54.10 1pmr n LEU 56 Cb 0.41 -1.17 -0.12 0.00 0.53 0.00 0.00 43.42 43.07 1pmr n LEU 56 CO 0.75 -2.10 -1.31 -0.67 -1.11 0.00 0.00 177.39 172.95 1pmr n ASP 57 N 12.97 1.99 -3.53 1.96 -0.08 -1.26 -1.81 116.55 126.79 1pmr n ASP 57 Ca 0.56 -0.08 -0.23 0.00 -1.51 0.00 0.00 54.79 53.53 1pmr n ASP 57 Cb 0.30 -0.48 -0.14 0.00 2.34 0.00 0.00 41.12 43.14 1pmr n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pmr s ALA 58 N -2.52 0.10 -0.29 -1.67 0.00 0.89 -4.98 121.76 113.29 1pmr s ALA 58 Ca -0.34 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1pmr s ALA 58 Cb 0.09 -1.27 0.07 0.00 0.00 0.00 0.00 23.12 22.01 1pmr s ALA 58 CO 0.61 -1.31 -0.04 0.08 0.00 0.00 0.00 175.76 175.10 1pmr s VAL 59 N 2.23 2.37 -0.19 0.00 1.01 -1.26 0.48 120.40 125.03 1pmr s VAL 59 Ca 0.06 -1.78 0.14 0.00 0.00 0.00 0.00 61.98 60.39 1pmr s VAL 59 Cb -0.16 -2.48 -0.24 0.00 0.00 0.00 0.00 36.38 33.51 1pmr s VAL 59 CO -0.17 -0.20 0.11 0.18 0.00 0.00 0.00 175.10 175.02 1pmr n LEU 60 N 4.42 0.67 -2.21 3.92 4.77 -1.22 -4.26 117.00 123.09 1pmr n LEU 60 Ca -0.09 0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.65 1pmr n LEU 60 Cb 0.42 0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.81 1pmr n LEU 60 CO 0.23 0.57 1.34 -0.62 -1.33 0.00 0.00 177.39 177.57 1pmr n GLU 61 N -2.89 2.39 -1.05 3.23 1.02 0.03 -4.98 120.64 118.38 1pmr n GLU 61 Ca -0.33 -2.94 -0.36 0.00 -0.02 0.00 0.00 57.16 53.51 1pmr n GLU 61 Cb 1.12 -2.15 0.05 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.88 -4.24 -4.14 1.62 8.00 -1.25 -4.39 116.55 111.28 1pmr n ASP 62 Ca 0.57 0.36 -0.45 0.00 0.71 0.00 0.00 54.79 55.98 1pmr n ASP 62 Cb 1.08 -0.92 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 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 1.15 0.00 0.00 -1.24 0.28 -1.26 -1.73 120.64 117.84 1pmr n GLU 63 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1pmr n GLU 63 Cb 0.53 -0.94 0.00 0.00 1.43 0.00 0.00 31.44 32.46 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 1.90 3.31 3.91 -1.84 0.00 -1.15 -4.88 105.19 106.44 1pmr n GLY 64 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.87 4.49 0.63 2.61 2.01 -0.70 -4.87 115.64 116.93 1pmr s THR 65 Ca 0.00 0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1pmr s THR 65 Cb 0.00 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 1pmr s THR 65 CO 0.00 -0.76 0.99 -0.89 -0.69 0.00 0.00 174.62 173.27 1pmr s THR 66 N -2.87 3.92 0.23 -0.82 2.01 -1.26 -1.78 115.64 115.07 1pmr s THR 66 Ca 0.50 0.38 -0.12 0.00 0.31 0.00 0.00 61.69 62.76 1pmr s THR 66 Cb -0.10 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1pmr s THR 66 CO 0.46 -0.70 0.43 0.54 -0.69 0.00 0.00 174.62 174.66 1pmr s VAL 67 N -3.15 0.01 0.00 3.82 0.11 -0.99 -4.70 120.40 115.50 1pmr s VAL 67 Ca 0.55 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1pmr s VAL 67 Cb -0.11 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.58 1pmr s VAL 67 CO 0.49 -0.04 0.00 0.41 -3.33 0.00 0.00 175.10 172.64 1pmr n THR 68 N -0.35 0.00 -0.36 5.04 -1.04 -1.26 -1.67 114.28 114.63 1pmr n THR 68 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 1pmr n THR 68 Cb 0.62 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.21 1pmr n THR 68 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1pmr n SER 69 N 0.00 4.41 0.00 8.00 3.41 -1.23 -4.01 113.62 124.20 1pmr n SER 69 Ca 0.00 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 1pmr n SER 69 Cb 0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1pmr n SER 69 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pmr n ARG 70 N -0.11 0.00 -3.02 4.33 0.00 -0.99 -3.79 116.66 113.08 1pmr n ARG 70 Ca 0.30 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.74 1pmr n ARG 70 Cb 0.91 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 33.32 1pmr n ARG 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1pmr s GLN 71 N 0.00 4.18 -0.30 -0.14 -1.52 -1.26 -4.57 119.66 116.05 1pmr s GLN 71 Ca 0.00 0.74 -0.29 0.00 -1.95 0.00 0.00 55.36 53.86 1pmr s GLN 71 Cb 0.00 -3.62 -0.02 0.00 -0.22 0.00 0.00 33.01 29.15 1pmr s GLN 71 CO 0.00 -0.38 1.70 -1.50 -0.25 0.00 0.00 175.29 174.86 1pmr s ILE 72 N 2.38 3.58 0.37 1.08 2.07 -1.26 -1.04 121.20 128.39 1pmr s ILE 72 Ca 0.31 0.61 0.09 0.00 -1.41 0.00 0.00 60.65 60.25 1pmr s ILE 72 Cb -0.16 -3.72 0.32 0.00 0.13 0.00 0.00 42.46 39.03 1pmr s ILE 72 CO 0.09 -0.42 1.91 -0.07 -1.91 0.00 0.00 174.94 174.55 1pmr h LEU 73 N 12.92 0.61 0.00 8.50 3.38 -0.38 -3.38 115.31 136.95 1pmr h LEU 73 Ca -0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1pmr h LEU 73 Cb 1.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1pmr h LEU 73 CO 1.03 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.51 1pmr n GLY 74 N -1.46 3.01 3.54 0.83 0.00 -1.20 -0.79 105.19 109.13 1pmr n GLY 74 Ca 0.14 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.15 2.62 0.00 1.61 1.70 0.18 -2.67 118.95 120.24 1pmr s ARG 75 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 1pmr s ARG 75 Cb 0.00 -2.49 0.00 0.00 -0.57 0.00 0.00 34.95 31.89 1pmr s ARG 75 CO 0.00 0.64 0.00 1.28 -1.08 0.00 0.00 175.30 176.14 1pmr n LEU 76 N 2.15 0.00 -4.71 -1.89 4.32 -1.12 -0.08 117.00 115.67 1pmr n LEU 76 Ca -0.17 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.58 1pmr n LEU 76 Cb 0.53 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.26 1pmr n LEU 76 CO 0.27 0.00 -0.21 -0.60 -1.22 0.00 0.00 177.39 175.63 1pmr s ARG 77 N 4.39 2.27 -0.23 3.23 6.06 -0.56 -3.79 118.95 130.32 1pmr s ARG 77 Ca 0.00 -1.66 0.05 0.00 -2.50 0.00 0.00 55.73 51.62 1pmr s ARG 77 Cb 0.00 -2.08 0.19 0.00 0.06 0.00 0.00 34.95 33.12 1pmr s ARG 77 CO 0.00 0.06 1.05 -1.91 -2.50 0.00 0.00 175.30 172.00 1pmr n GLU 78 N -1.13 0.60 0.00 5.12 0.00 -0.85 -2.97 120.64 121.42 1pmr n GLU 78 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 57.16 56.37 1pmr n GLU 78 Cb 0.62 0.12 0.00 0.00 0.00 0.00 0.00 31.44 32.18 1pmr n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pmr n GLY 79 N -0.65 -0.32 0.78 8.31 0.00 -1.26 -1.41 105.19 110.64 1pmr n GLY 79 Ca -0.12 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.47 1pmr n GLY 79 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31