#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmr n SER 2 N 0.00 -2.26 -4.39 -3.46 7.64 -1.26 -3.23 113.62 106.65 1pmr n SER 2 Ca 0.00 -2.57 -0.41 0.00 1.01 0.00 0.00 58.87 56.90 1pmr n SER 2 Cb 0.00 3.77 -0.01 0.00 -1.01 0.00 0.00 64.21 66.96 1pmr n SER 2 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pmr n VAL 3 N -0.53 3.46 -2.15 0.44 0.31 -0.87 -4.36 118.33 114.63 1pmr n VAL 3 Ca -0.09 -3.49 -0.30 0.00 -0.01 0.00 0.00 64.34 60.45 1pmr n VAL 3 Cb 0.58 -2.37 -0.05 0.00 -0.91 0.00 0.00 33.84 31.10 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 4.42 5.39 -0.05 4.52 1.11 -1.26 -3.07 116.67 127.72 1pmr s ASP 4 Ca 0.55 -1.24 0.01 0.00 0.18 0.00 0.00 52.55 52.05 1pmr s ASP 4 Cb 0.05 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.44 1pmr s ASP 4 CO 0.06 -2.60 -0.06 -0.51 1.18 0.00 0.00 175.17 173.24 1pmr s ILE 5 N 9.38 3.77 0.00 0.77 1.10 -1.17 -5.03 121.20 130.02 1pmr s ILE 5 Ca 0.66 -0.52 0.00 0.00 -0.51 0.00 0.00 60.65 60.28 1pmr s ILE 5 Cb -0.03 -2.57 0.00 0.00 0.15 0.00 0.00 42.46 40.01 1pmr s ILE 5 CO 0.04 0.55 0.00 0.18 -2.11 0.00 0.00 174.94 173.60 1pmr n LEU 6 N 2.05 0.00 -3.04 8.50 4.32 -1.26 -0.94 117.00 126.62 1pmr n LEU 6 Ca -0.17 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.61 1pmr n LEU 6 Cb 0.53 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.30 1pmr n LEU 6 CO 0.28 0.00 -0.09 0.52 -1.22 0.00 0.00 177.39 176.88 1pmr n VAL 7 N 0.00 1.04 -1.40 4.08 0.31 -0.95 -4.59 118.33 116.82 1pmr n VAL 7 Ca 0.00 -4.80 -0.41 0.00 -0.01 0.00 0.00 64.34 59.13 1pmr n VAL 7 Cb 0.00 -0.59 -0.02 0.00 -0.91 0.00 0.00 33.84 32.32 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 0.06 2.37 0.00 5.55 -0.04 -1.18 -3.33 135.00 138.42 1pmr n PRO 8 Ca 0.26 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1pmr n PRO 8 Cb 0.59 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 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 6.24 0.15 -2.83 3.54 9.92 -1.26 -4.97 116.55 127.34 1pmr n ASP 9 Ca 0.53 -0.52 -0.17 0.00 -0.53 0.00 0.00 54.79 54.09 1pmr n ASP 9 Cb 0.36 0.69 0.02 0.00 -0.64 0.00 0.00 41.12 41.55 1pmr n ASP 9 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1pmr n LEU 10 N -0.69 -2.33 -4.85 0.64 4.77 -1.26 -4.91 117.00 108.37 1pmr n LEU 10 Ca 0.00 0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 1pmr n LEU 10 Cb 0.01 -1.25 0.06 0.00 -2.33 0.00 0.00 43.42 39.91 1pmr n LEU 10 CO 0.00 -0.50 0.73 -2.16 -1.33 0.00 0.00 177.39 174.14 1pmr s PRO 11 N -1.42 2.61 -0.27 3.23 0.04 -1.26 -5.02 135.00 132.91 1pmr s PRO 11 Ca 0.17 0.57 0.16 0.00 0.04 0.00 0.00 61.00 61.93 1pmr s PRO 11 Cb -0.02 -1.98 0.49 0.00 0.04 0.00 0.00 34.50 33.02 1pmr s PRO 11 CO 0.38 -1.24 1.15 0.39 0.04 0.00 0.00 177.00 177.72 1pmr n GLU 12 N -3.16 2.59 0.00 4.56 1.02 -1.26 -4.73 120.64 119.66 1pmr n GLU 12 Ca 0.07 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.40 1pmr n GLU 12 Cb 0.56 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1pmr n GLU 12 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pmr n SER 13 N -0.65 0.39 0.00 1.62 2.88 -1.26 -5.05 113.62 111.55 1pmr n SER 13 Ca 0.24 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1pmr n SER 13 Cb 0.88 0.85 0.00 0.00 -0.75 0.00 0.00 64.21 65.19 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 -0.89 0.00 0.00 2.46 0.31 -1.26 -5.02 118.33 113.92 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 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 3.52 0.00 -1.26 -5.11 120.51 114.66 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 -2.25 0.00 5.68 -1.26 -4.90 116.55 113.82 1pmr n ASP 16 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 1pmr n ASP 16 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 1pmr n ASP 16 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pmr n ALA 17 N 0.00 -1.50 -3.64 2.12 0.00 0.56 -4.61 120.51 113.44 1pmr n ALA 17 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 53.44 52.89 1pmr n ALA 17 Cb 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.26 -0.41 0.36 0.00 2.01 -1.04 -1.68 115.64 112.64 1pmr s THR 18 Ca 0.13 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.86 1pmr s THR 18 Cb -0.01 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.38 1pmr s THR 18 CO 0.02 0.00 1.08 0.52 -0.69 0.00 0.00 174.62 175.55 1pmr n VAL 19 N 4.77 2.18 -0.02 3.82 0.31 -0.96 -0.07 118.33 128.37 1pmr n VAL 19 Ca -0.17 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.63 1pmr n VAL 19 Cb 0.55 -1.20 -0.01 0.00 -0.91 0.00 0.00 33.84 32.26 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 -0.06 2.79 -3.31 3.52 0.00 0.11 -1.78 120.51 121.78 1pmr n ALA 20 Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1pmr n ALA 20 Cb 0.36 0.46 -0.02 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.06 -0.77 0.00 0.00 2.01 -1.10 -4.53 115.64 109.20 1pmr s THR 21 Ca -0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1pmr s THR 21 Cb 0.02 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1pmr s THR 21 CO 0.06 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 174.78 1pmr n TRP 22 N 5.36 -1.11 -2.00 4.92 7.02 -1.26 -2.20 117.44 128.17 1pmr n TRP 22 Ca -0.06 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.38 1pmr n TRP 22 Cb 0.51 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.36 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 -1.04 0.00 -3.94 -5.99 8.25 -1.26 -4.79 115.22 106.44 1pmr n HIS 23 Ca 0.00 -0.31 -0.35 0.00 -0.26 0.00 0.00 57.72 56.81 1pmr n HIS 23 Cb 0.00 0.40 -0.14 0.00 1.12 0.00 0.00 29.99 31.37 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 0.00 2.80 1.30 -0.41 2.47 -1.26 -4.71 119.74 119.93 1pmr s LYS 24 Ca 0.00 -1.01 -0.17 0.00 -1.56 0.00 0.00 55.97 53.23 1pmr s LYS 24 Cb 0.00 -3.04 0.33 0.00 -1.46 0.00 0.00 37.83 33.66 1pmr s LYS 24 CO 0.00 -0.43 0.92 1.63 0.16 0.00 0.00 175.35 177.63 1pmr n LYS 25 N 4.68 -3.40 -1.90 4.03 4.76 -1.26 -4.72 118.16 120.34 1pmr n LYS 25 Ca -0.16 -0.98 -0.32 0.00 -2.87 0.00 0.00 58.31 53.97 1pmr n LYS 25 Cb 0.47 -2.05 -0.04 0.00 -1.84 0.00 0.00 35.03 31.56 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 -4.56 2.40 0.00 1.97 0.04 -1.26 -2.76 135.00 130.82 1pmr s PRO 26 Ca 0.68 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1pmr s PRO 26 Cb -0.21 -4.63 0.00 0.00 0.04 0.00 0.00 34.50 29.70 1pmr s PRO 26 CO 0.63 -3.18 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1pmr n GLY 27 N 6.16 0.46 0.00 0.56 0.00 -0.97 -4.78 105.19 106.62 1pmr n GLY 27 Ca 0.31 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.98 0.00 -3.02 1.61 9.92 -1.11 -4.65 116.55 118.32 1pmr n ASP 28 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 1pmr n ASP 28 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 1pmr n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pmr s ALA 29 N -2.21 -4.20 0.39 2.24 0.00 -1.20 -4.18 121.76 112.59 1pmr s ALA 29 Ca 0.00 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1pmr s ALA 29 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1pmr s ALA 29 CO 0.00 -2.24 0.27 1.55 0.00 0.00 0.00 175.76 175.34 1pmr n VAL 30 N 4.63 0.00 0.00 0.00 3.14 -0.01 -4.92 118.33 121.17 1pmr n VAL 30 Ca 0.08 -1.56 0.00 0.00 -2.96 0.00 0.00 64.34 59.91 1pmr n VAL 30 Cb 0.60 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1pmr n VAL 30 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1pmr n VAL 31 N -1.38 0.00 -2.80 1.55 3.14 -1.26 -2.92 118.33 114.67 1pmr n VAL 31 Ca -0.02 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.25 1pmr n VAL 31 Cb 0.44 -1.18 0.07 0.00 -1.06 0.00 0.00 33.84 32.11 1pmr n VAL 31 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1pmr n ARG 32 N -2.83 0.98 0.00 1.45 3.00 -1.24 -4.03 116.66 113.98 1pmr n ARG 32 Ca 0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 57.85 55.73 1pmr n ARG 32 Cb 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.64 1pmr n ARG 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1pmr n ASP 33 N 0.54 0.00 -0.58 0.55 8.00 -1.25 -4.81 116.55 119.00 1pmr n ASP 33 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1pmr n ASP 33 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1pmr n ASP 33 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1pmr n GLU 34 N 0.00 1.37 0.00 -1.24 0.28 -1.11 -4.82 120.64 115.12 1pmr n GLU 34 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1pmr n GLU 34 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1pmr n GLU 34 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1pmr n VAL 35 N 0.00 0.00 -3.14 3.84 3.14 -1.26 -3.20 118.33 117.72 1pmr n VAL 35 Ca 0.00 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.15 1pmr n VAL 35 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 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 0.00 2.37 -3.51 6.55 4.32 -1.23 -2.56 117.00 122.95 1pmr n LEU 36 Ca 0.00 -5.25 -0.33 0.00 -0.02 0.00 0.00 56.01 50.40 1pmr n LEU 36 Cb 0.00 0.09 0.03 0.00 -1.62 0.00 0.00 43.42 41.92 1pmr n LEU 36 CO 0.00 2.25 -1.68 0.55 -1.22 0.00 0.00 177.39 177.29 1pmr n VAL 37 N 0.35 0.00 -3.87 4.08 3.14 -1.24 -4.04 118.33 116.75 1pmr n VAL 37 Ca 0.27 -0.13 -0.30 0.00 -2.96 0.00 0.00 64.34 61.22 1pmr n VAL 37 Cb 0.52 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.15 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 -1.76 1.36 0.00 1.45 2.02 -0.93 -3.03 118.70 117.81 1pmr s GLU 38 Ca 0.33 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.44 1pmr s GLU 38 Cb 0.02 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1pmr s GLU 38 CO 0.63 -1.04 0.00 1.51 0.02 0.00 0.00 175.26 176.38 1pmr n ILE 39 N 3.99 0.00 -4.07 -1.63 0.13 -1.03 0.05 119.36 116.80 1pmr n ILE 39 Ca 0.04 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.57 1pmr n ILE 39 Cb 0.38 -1.99 -0.11 0.00 -0.84 0.00 0.00 39.64 37.08 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 -0.22 0.54 -0.06 9.51 2.02 0.89 -4.45 118.70 126.93 1pmr s GLU 40 Ca 0.00 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.23 1pmr s GLU 40 Cb 0.00 -0.21 0.14 0.00 0.10 0.00 0.00 34.13 34.16 1pmr s GLU 40 CO 0.00 0.02 1.11 2.41 0.02 0.00 0.00 175.26 178.82 1pmr n THR 41 N 1.25 0.04 -2.95 3.63 -1.04 0.66 -2.48 114.28 113.39 1pmr n THR 41 Ca -0.21 -0.39 -0.01 0.00 -2.04 0.00 0.00 64.05 61.40 1pmr n THR 41 Cb 0.56 0.67 -0.01 0.00 -1.82 0.00 0.00 70.33 69.73 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 -0.18 -5.94 0.00 8.00 -0.08 -1.26 -3.10 116.55 113.99 1pmr n ASP 42 Ca -0.20 0.96 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 1pmr n ASP 42 Cb 0.80 -3.03 0.00 0.00 2.34 0.00 0.00 41.12 41.23 1pmr n ASP 42 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1pmr n LYS 43 N 1.65 0.00 -4.39 -0.67 0.00 -1.26 -4.90 118.16 108.59 1pmr n LYS 43 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 57.95 1pmr n LYS 43 Cb 0.28 -0.22 -0.12 0.00 0.00 0.00 0.00 35.03 34.97 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 -1.01 2.22 -0.31 3.15 1.01 -1.18 -5.11 120.40 119.17 1pmr s VAL 44 Ca 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 61.98 60.11 1pmr s VAL 44 Cb 0.00 -2.01 0.15 0.00 0.00 0.00 0.00 36.38 34.52 1pmr s VAL 44 CO 0.00 -0.05 0.36 -0.69 0.00 0.00 0.00 175.10 174.72 1pmr s VAL 45 N -1.44 -0.48 0.71 2.92 1.01 -1.26 -0.25 120.40 121.62 1pmr s VAL 45 Ca 0.17 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1pmr s VAL 45 Cb -0.09 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1pmr s VAL 45 CO 0.08 -0.42 1.10 -0.76 0.00 0.00 0.00 175.10 175.10 1pmr s LEU 46 N 2.20 2.87 0.00 3.92 2.01 -1.26 -4.82 118.68 123.59 1pmr s LEU 46 Ca 0.11 1.13 0.00 0.00 0.01 0.00 0.00 54.13 55.39 1pmr s LEU 46 Cb -0.13 -3.91 0.00 0.00 0.01 0.00 0.00 46.19 42.15 1pmr s LEU 46 CO -0.25 -1.39 0.00 -0.62 1.01 0.00 0.00 176.35 175.10 1pmr n GLU 47 N -3.04 2.43 -2.98 1.70 1.02 -1.26 -2.46 120.64 116.05 1pmr n GLU 47 Ca 0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 1pmr n GLU 47 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.97 1pmr n GLU 47 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1pmr n VAL 48 N -0.23 -0.42 -2.63 2.62 3.14 -1.17 -4.81 118.33 114.83 1pmr n VAL 48 Ca 0.00 -1.97 -0.43 0.00 -2.96 0.00 0.00 64.34 58.98 1pmr n VAL 48 Cb 0.00 0.06 -0.02 0.00 -1.06 0.00 0.00 33.84 32.82 1pmr n VAL 48 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1pmr s PRO 49 N 0.48 3.70 0.00 1.45 0.04 -1.13 -3.47 135.00 136.06 1pmr s PRO 49 Ca 0.31 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1pmr s PRO 49 Cb 0.05 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1pmr s PRO 49 CO -0.12 -1.36 0.00 0.00 0.04 0.00 0.00 177.00 175.56 1pmr n ALA 50 N 7.76 0.00 -2.48 8.56 0.00 -1.06 -4.76 120.51 128.54 1pmr n ALA 50 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 1pmr n ALA 50 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.80 0.20 0.00 0.00 3.41 -1.26 -2.77 113.62 112.40 1pmr n SER 51 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1pmr n SER 51 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.22 0.00 -0.71 7.33 0.00 -1.26 -3.71 120.51 121.95 1pmr n ALA 52 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1pmr n ALA 52 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 8.00 -1.15 -4.66 116.55 118.74 1pmr n ASP 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1pmr n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1pmr n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pmr n GLY 54 N 0.00 2.09 3.50 0.44 0.00 -1.15 -0.83 105.19 109.24 1pmr n GLY 54 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 -0.00 -1.53 -0.61 -0.00 -1.26 -4.11 119.36 109.85 1pmr n ILE 55 Ca 0.00 -0.28 -0.22 0.00 -0.00 0.00 0.00 62.75 62.25 1pmr n ILE 55 Cb 0.00 -0.25 -0.13 0.00 -0.00 0.00 0.00 39.64 39.25 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 7.88 0.47 -0.06 1.39 -0.00 -1.24 -3.38 117.00 122.07 1pmr n LEU 56 Ca 0.67 -0.87 -0.10 0.00 -0.00 0.00 0.00 56.01 55.71 1pmr n LEU 56 Cb 0.10 -1.16 -0.05 0.00 -0.00 0.00 0.00 43.42 42.31 1pmr n LEU 56 CO 1.02 -1.89 -0.88 -0.67 -0.00 0.00 0.00 177.39 174.98 1pmr n ASP 57 N 12.66 2.04 -3.56 1.96 -0.08 -1.26 -2.29 116.55 126.02 1pmr n ASP 57 Ca 0.56 0.04 -0.29 0.00 -1.51 0.00 0.00 54.79 53.58 1pmr n ASP 57 Cb 0.29 -0.25 -0.15 0.00 2.34 0.00 0.00 41.12 43.36 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 -2.21 0.82 -0.70 -1.67 0.00 0.11 -4.98 121.76 113.12 1pmr s ALA 58 Ca -0.15 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 1pmr s ALA 58 Cb 0.05 -1.46 0.18 0.00 0.00 0.00 0.00 23.12 21.89 1pmr s ALA 58 CO 0.23 -1.73 0.55 0.08 0.00 0.00 0.00 175.76 174.89 1pmr s VAL 59 N 1.84 4.18 -1.60 0.00 1.01 -1.26 0.15 120.40 124.73 1pmr s VAL 59 Ca 0.11 -3.00 0.15 0.00 0.00 0.00 0.00 61.98 59.24 1pmr s VAL 59 Cb -0.17 -3.67 0.30 0.00 0.00 0.00 0.00 36.38 32.84 1pmr s VAL 59 CO -0.29 -0.94 1.37 0.18 0.00 0.00 0.00 175.10 175.42 1pmr n LEU 60 N 3.41 0.00 -2.41 3.92 4.77 -1.05 -2.61 117.00 123.03 1pmr n LEU 60 Ca 0.11 0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 56.11 1pmr n LEU 60 Cb 0.39 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1pmr n LEU 60 CO 0.34 -0.11 0.10 -0.62 -1.33 0.00 0.00 177.39 175.77 1pmr n GLU 61 N -1.20 2.80 -1.53 3.23 1.02 0.40 -4.95 120.64 120.41 1pmr n GLU 61 Ca 0.08 -3.99 -0.49 0.00 -0.02 0.00 0.00 57.16 52.75 1pmr n GLU 61 Cb 0.10 -1.97 -0.04 0.00 -0.02 0.00 0.00 31.44 29.50 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 -0.52 0.64 -2.57 1.62 8.00 -1.07 -4.46 116.55 118.18 1pmr n ASP 62 Ca 0.30 1.15 -0.33 0.00 0.71 0.00 0.00 54.79 56.62 1pmr n ASP 62 Cb 0.83 -1.14 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.35 120.64 117.42 1pmr n GLU 63 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1pmr n GLU 63 Cb 0.24 -0.89 0.00 0.00 1.43 0.00 0.00 31.44 32.22 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 4.30 0.26 4.04 -1.84 0.00 -0.73 -4.82 105.19 106.40 1pmr n GLY 64 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.16 2.12 0.08 2.61 2.01 -0.99 -4.92 115.64 116.39 1pmr s THR 65 Ca 0.00 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1pmr s THR 65 Cb 0.00 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1pmr s THR 65 CO 0.00 0.00 0.23 -0.89 -0.69 0.00 0.00 174.62 173.27 1pmr s THR 66 N -2.68 5.37 0.26 -0.82 2.01 -1.26 -2.26 115.64 116.26 1pmr s THR 66 Ca 0.62 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 1pmr s THR 66 Cb -0.06 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.79 1pmr s THR 66 CO 0.39 0.08 0.47 0.54 -0.69 0.00 0.00 174.62 175.41 1pmr s VAL 67 N -1.57 0.00 0.00 3.82 0.11 -0.67 -4.82 120.40 117.27 1pmr s VAL 67 Ca 0.35 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 1pmr s VAL 67 Cb -0.13 -2.29 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 1pmr s VAL 67 CO 0.28 0.00 0.00 0.41 -3.33 0.00 0.00 175.10 172.46 1pmr n THR 68 N -0.40 0.00 0.00 5.04 -1.04 -1.26 -0.32 114.28 116.30 1pmr n THR 68 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1pmr n THR 68 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.00 -1.41 8.00 3.41 -1.26 -4.24 113.62 118.12 1pmr n SER 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pmr n SER 69 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 0.96 0.00 4.33 0.63 -1.21 -2.24 116.66 119.13 1pmr n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1pmr n ARG 70 Cb 0.00 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 31.89 1pmr n ARG 70 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1pmr n GLN 71 N 1.31 0.00 -3.17 -0.14 1.13 -1.26 -4.67 117.38 110.58 1pmr n GLN 71 Ca 0.00 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.11 1pmr n GLN 71 Cb 0.48 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.80 1pmr n GLN 71 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1pmr s ILE 72 N 0.00 -0.05 -0.06 5.09 2.07 -1.26 -4.60 121.20 122.39 1pmr s ILE 72 Ca 0.00 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.97 1pmr s ILE 72 Cb 0.00 -1.00 -0.22 0.00 0.13 0.00 0.00 42.46 41.37 1pmr s ILE 72 CO 0.00 0.00 1.11 -0.07 -1.91 0.00 0.00 174.94 174.07 1pmr h LEU 73 N 7.39 0.01 0.00 8.50 3.38 -1.29 -3.43 115.31 129.87 1pmr h LEU 73 Ca -0.12 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1pmr h LEU 73 Cb 1.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1pmr h LEU 73 CO -0.05 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.74 1pmr n GLY 74 N 0.66 1.96 3.56 0.83 0.00 -1.19 0.15 105.19 111.16 1pmr n GLY 74 Ca -0.09 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 2.85 0.00 1.61 3.03 0.40 -3.06 118.95 121.78 1pmr s ARG 75 Ca 0.00 -0.56 0.00 0.00 2.03 0.00 0.00 55.73 57.20 1pmr s ARG 75 Cb 0.00 -2.61 0.00 0.00 -1.03 0.00 0.00 34.95 31.31 1pmr s ARG 75 CO 0.00 0.60 0.00 1.28 -1.13 0.00 0.00 175.30 176.05 1pmr n LEU 76 N 2.41 0.00 -3.52 -1.89 4.32 -1.18 0.07 117.00 117.21 1pmr n LEU 76 Ca -0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.70 1pmr n LEU 76 Cb 0.53 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.30 1pmr n LEU 76 CO 0.27 0.00 0.35 -0.60 -1.22 0.00 0.00 177.39 176.19 1pmr s ARG 77 N 0.00 1.29 -0.33 3.23 3.52 -1.22 -4.11 118.95 121.33 1pmr s ARG 77 Ca 0.00 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 55.08 1pmr s ARG 77 Cb 0.00 0.56 0.28 0.00 -1.56 0.00 0.00 34.95 34.23 1pmr s ARG 77 CO 0.00 -0.55 1.24 -1.91 -0.81 0.00 0.00 175.30 173.27 1pmr n GLU 78 N -0.35 0.87 0.32 5.12 2.13 -1.20 -2.04 120.64 125.49 1pmr n GLU 78 Ca -0.15 -1.24 -0.13 0.00 0.66 0.00 0.00 57.16 56.30 1pmr n GLU 78 Cb 0.64 0.07 -0.06 0.00 0.27 0.00 0.00 31.44 32.36 1pmr n GLU 78 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1pmr h GLY 79 N 1.38 -0.89 0.00 8.31 0.00 -1.92 -3.42 103.07 106.53 1pmr h GLY 79 Ca -0.37 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1pmr h GLY 79 CO -0.12 -0.32 0.00 -2.01 0.00 0.00 0.00 176.54 174.08