#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3p s VAL 2 N 0.00 0.00 -0.54 0.00 0.11 -1.26 -5.12 120.40 113.59 1x3p s VAL 2 Ca 0.00 -0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.79 1x3p s VAL 2 Cb 0.00 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1x3p s VAL 2 CO 0.00 0.00 0.92 0.00 -3.33 0.00 0.00 175.10 172.69 1x3p s ALA 3 N -3.55 3.18 0.00 1.54 0.00 -1.26 -4.85 121.76 116.82 1x3p s ALA 3 Ca 0.02 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1x3p s ALA 3 Cb -0.01 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1x3p s ALA 3 CO -0.11 -2.32 0.00 0.39 0.00 0.00 0.00 175.76 173.72 1x3p n GLU 4 N 7.33 0.00 -4.51 0.00 1.02 -1.26 -5.09 120.64 118.13 1x3p n GLU 4 Ca 0.02 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.94 1x3p n GLU 4 Cb 0.47 -0.10 -0.14 0.00 -0.02 0.00 0.00 31.44 31.66 1x3p n GLU 4 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x3p s SER 5 N -3.62 1.79 -0.39 1.62 0.15 -1.26 -4.78 113.70 107.21 1x3p s SER 5 Ca 0.00 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.30 1x3p s SER 5 Cb 0.00 -0.15 0.16 0.00 -1.71 0.00 0.00 66.02 64.32 1x3p s SER 5 CO 0.00 0.11 0.44 0.68 1.20 0.00 0.00 173.24 175.67 1x3p s VAL 6 N -0.65 -0.46 -0.46 4.45 -7.23 -1.20 -3.07 120.40 111.78 1x3p s VAL 6 Ca 0.04 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 1x3p s VAL 6 Cb -0.07 -0.52 0.24 0.00 0.56 0.00 0.00 36.38 36.58 1x3p s VAL 6 CO 0.01 -0.47 0.74 2.30 -0.31 0.00 0.00 175.10 177.37 1x3p n ILE 7 N 4.14 -0.26 -3.69 -0.62 -6.64 -1.26 -4.94 119.36 106.09 1x3p n ILE 7 Ca 0.12 -2.32 -0.30 0.00 -1.77 0.00 0.00 62.75 58.48 1x3p n ILE 7 Cb 0.48 0.27 -0.15 0.00 -1.44 0.00 0.00 39.64 38.80 1x3p n ILE 7 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1x3p s GLY 8 N -1.31 0.94 0.22 3.28 0.00 -0.39 -4.86 107.32 105.20 1x3p s GLY 8 Ca 0.33 -1.52 -0.12 0.00 0.00 0.00 0.00 44.72 43.40 1x3p s GLY 8 CO -0.19 1.70 0.43 0.54 0.00 0.00 0.00 173.10 175.58 1x3p s LYS 9 N 1.72 1.43 0.00 2.90 1.02 -1.26 0.14 119.74 125.69 1x3p s LYS 9 Ca 0.09 -1.19 0.17 0.00 0.02 0.00 0.00 55.97 55.07 1x3p s LYS 9 Cb -0.17 0.45 0.46 0.00 -0.52 0.00 0.00 37.83 38.05 1x3p s LYS 9 CO -0.27 -0.58 1.37 0.54 -0.92 0.00 0.00 175.35 175.49 1x3p n ARG 10 N -0.34 2.69 -1.01 1.68 5.12 -1.13 -4.92 116.66 118.75 1x3p n ARG 10 Ca -0.04 -2.30 0.00 0.00 -1.93 0.00 0.00 57.85 53.58 1x3p n ARG 10 Cb 0.62 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 1x3p n ARG 10 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1x3p n VAL 11 N 1.10 0.00 0.07 1.55 3.14 -1.26 -4.39 118.33 118.54 1x3p n VAL 11 Ca 0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 1x3p n VAL 11 Cb 0.52 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 1x3p n VAL 11 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x3p n GLY 12 N 5.00 -0.17 1.69 7.55 0.00 -1.26 -4.95 105.19 113.05 1x3p n GLY 12 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1x3p n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x3p n ASP 13 N -3.16 0.50 -1.05 1.61 8.00 -1.26 -4.98 116.55 116.21 1x3p n ASP 13 Ca 0.00 -2.02 -0.00 0.00 0.71 0.00 0.00 54.79 53.48 1x3p n ASP 13 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1x3p n ASP 13 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x3p n ASP 14 N 0.07 -2.00 -0.04 -2.24 2.03 -1.26 -4.99 116.55 108.11 1x3p n ASP 14 Ca -0.03 -0.01 0.02 0.00 0.52 0.00 0.00 54.79 55.30 1x3p n ASP 14 Cb 0.98 -0.55 -0.02 0.00 -0.72 0.00 0.00 41.12 40.81 1x3p n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x3p n GLY 15 N -1.03 0.24 0.00 0.27 0.00 -1.26 -4.90 105.19 98.52 1x3p n GLY 15 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1x3p n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x3p n LYS 16 N -0.83 0.00 -2.64 1.61 3.00 -1.26 -5.07 118.16 112.97 1x3p n LYS 16 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.05 1x3p n LYS 16 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.12 1x3p n LYS 16 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1x3p s THR 17 N 0.00 4.90 0.00 3.15 -1.32 -1.26 -4.11 115.64 117.00 1x3p s THR 17 Ca 0.00 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1x3p s THR 17 Cb 0.00 -3.86 0.00 0.00 -1.51 0.00 0.00 72.50 67.13 1x3p s THR 17 CO 0.00 -0.83 0.00 -0.38 -2.21 0.00 0.00 174.62 171.20 1x3p n ILE 18 N -2.19 0.00 -3.84 5.08 5.41 -1.26 -4.89 119.36 117.67 1x3p n ILE 18 Ca 0.01 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1x3p n ILE 18 Cb 0.55 -0.31 -0.05 0.00 -0.71 0.00 0.00 39.64 39.13 1x3p n ILE 18 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1x3p s GLU 19 N -1.74 1.39 -0.01 0.38 0.41 -1.26 -4.94 118.70 112.92 1x3p s GLU 19 Ca 0.00 -1.00 -0.15 0.00 -0.41 0.00 0.00 54.97 53.41 1x3p s GLU 19 Cb 0.00 0.49 -0.06 0.00 -1.78 0.00 0.00 34.13 32.78 1x3p s GLU 19 CO 0.00 -0.58 0.40 1.52 -0.49 0.00 0.00 175.26 176.11 1x3p s TYR 20 N -3.92 3.71 -0.27 1.61 -0.85 -1.26 -2.83 117.35 113.53 1x3p s TYR 20 Ca 0.13 0.96 -0.00 0.00 -0.52 0.00 0.00 57.07 57.64 1x3p s TYR 20 Cb -0.00 -2.29 0.16 0.00 0.38 0.00 0.00 41.96 40.20 1x3p s TYR 20 CO 0.00 0.62 0.43 -0.51 -1.52 0.00 0.00 175.55 174.57 1x3p s LEU 21 N -0.96 -0.85 -0.52 -3.49 1.43 0.36 -4.51 118.68 110.14 1x3p s LEU 21 Ca 0.23 0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 1x3p s LEU 21 Cb -0.16 1.30 0.05 0.00 0.03 0.00 0.00 46.19 47.41 1x3p s LEU 21 CO 0.13 -0.32 0.79 -0.69 0.23 0.00 0.00 176.35 176.49 1x3p s VAL 22 N 2.60 4.63 -0.32 -1.59 1.01 -0.96 -1.26 120.40 124.51 1x3p s VAL 22 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1x3p s VAL 22 Cb -0.14 -4.42 0.05 0.00 0.00 0.00 0.00 36.38 31.88 1x3p s VAL 22 CO -0.23 -0.95 0.03 -0.54 0.00 0.00 0.00 175.10 173.42 1x3p s LYS 23 N 3.31 2.42 0.00 2.72 -0.14 -1.26 -0.82 119.74 125.96 1x3p s LYS 23 Ca 0.23 -1.30 0.00 0.00 -1.36 0.00 0.00 55.97 53.54 1x3p s LYS 23 Cb -0.16 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1x3p s LYS 23 CO 0.16 -0.67 0.00 0.91 -0.76 0.00 0.00 175.35 174.99 1x3p n TRP 24 N 4.65 -1.51 0.48 3.18 5.03 -1.18 -3.25 117.44 124.85 1x3p n TRP 24 Ca -0.12 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.45 1x3p n TRP 24 Cb 0.43 0.00 0.16 0.00 -1.03 0.00 0.00 31.31 30.88 1x3p n TRP 24 CO 0.00 0.00 0.00 -2.37 -0.03 0.00 0.00 177.69 175.29 1x3p n THR 25 N -2.47 0.91 0.03 -0.99 5.66 -1.26 -3.55 114.28 112.61 1x3p n THR 25 Ca 0.00 -0.54 0.01 0.00 -3.05 0.00 0.00 64.05 60.47 1x3p n THR 25 Cb 0.00 -0.17 -0.02 0.00 -1.55 0.00 0.00 70.33 68.59 1x3p n THR 25 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1x3p n ASP 26 N 0.34 3.36 -2.24 1.09 -0.08 -1.26 -4.98 116.55 112.78 1x3p n ASP 26 Ca 0.12 -0.13 -0.03 0.00 -1.51 0.00 0.00 54.79 53.23 1x3p n ASP 26 Cb 0.51 1.10 0.00 0.00 2.34 0.00 0.00 41.12 45.08 1x3p n ASP 26 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1x3p n MET 27 N -1.48 -1.56 -0.57 -0.67 2.81 -1.23 -5.02 117.12 109.39 1x3p n MET 27 Ca -0.00 1.55 -0.01 0.00 -1.81 0.00 0.00 57.70 57.43 1x3p n MET 27 Cb 0.07 -3.74 -0.01 0.00 -0.71 0.00 0.00 33.22 28.84 1x3p n MET 27 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1x3p n SER 28 N -0.13 -0.06 -2.86 7.83 7.64 -1.26 -5.05 113.62 119.74 1x3p n SER 28 Ca 0.05 -1.32 -0.03 0.00 1.01 0.00 0.00 58.87 58.58 1x3p n SER 28 Cb 0.17 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1x3p n SER 28 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x3p n ASP 29 N 0.01 -4.29 -0.02 6.43 -0.08 -1.26 -4.99 116.55 112.36 1x3p n ASP 29 Ca -0.02 1.14 -0.01 0.00 -1.51 0.00 0.00 54.79 54.38 1x3p n ASP 29 Cb 0.58 -3.36 -0.00 0.00 2.34 0.00 0.00 41.12 40.67 1x3p n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x3p n ALA 30 N 2.07 0.11 -2.66 -1.67 0.00 -0.00 -5.04 120.51 113.32 1x3p n ALA 30 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1x3p n ALA 30 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1x3p n ALA 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1x3p n THR 31 N -2.80 0.00 -3.74 0.00 -1.04 -1.19 -4.99 114.28 100.53 1x3p n THR 31 Ca -0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.86 1x3p n THR 31 Cb 0.07 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.48 1x3p n THR 31 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1x3p s TRP 32 N 3.61 -0.42 0.00 -1.42 0.52 -1.26 -2.27 118.94 117.69 1x3p s TRP 32 Ca 0.00 1.02 0.00 0.00 0.02 0.00 0.00 56.10 57.14 1x3p s TRP 32 Cb 0.00 0.15 0.00 0.00 -1.15 0.00 0.00 33.47 32.47 1x3p s TRP 32 CO 0.00 -0.23 0.00 0.39 0.02 0.00 0.00 176.95 177.13 1x3p n GLU 33 N 2.74 0.00 0.00 4.98 1.02 -1.26 -4.50 120.64 123.63 1x3p n GLU 33 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1x3p n GLU 33 Cb 0.57 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1x3p n GLU 33 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1x3p n PRO 34 N -0.84 0.00 -0.41 3.49 -0.02 -1.24 -1.10 135.00 134.89 1x3p n PRO 34 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1x3p n PRO 34 Cb 0.00 -0.06 -0.06 0.00 -0.02 0.00 0.00 33.50 33.36 1x3p n PRO 34 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1x3p n GLN 35 N 0.00 0.85 -3.11 -0.52 7.27 -1.26 -4.25 117.38 116.36 1x3p n GLN 35 Ca 0.00 -0.46 -0.11 0.00 0.07 0.00 0.00 57.00 56.49 1x3p n GLN 35 Cb 0.00 -1.75 -0.04 0.00 2.41 0.00 0.00 30.24 30.86 1x3p n GLN 35 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1x3p s ASP 36 N 2.72 -0.22 -0.33 1.69 1.11 -0.26 -4.91 116.67 116.47 1x3p s ASP 36 Ca 0.27 -1.87 -0.00 0.00 0.18 0.00 0.00 52.55 51.13 1x3p s ASP 36 Cb 0.12 1.07 0.27 0.00 1.07 0.00 0.00 42.92 45.45 1x3p s ASP 36 CO -0.00 -0.14 1.90 -3.20 1.18 0.00 0.00 175.17 174.90 1x3p n ASN 37 N 3.43 5.87 -2.17 0.27 5.15 -1.26 -4.56 115.26 121.99 1x3p n ASN 37 Ca 0.18 -3.08 -0.23 0.00 -0.60 0.00 0.00 54.58 50.85 1x3p n ASN 37 Cb 0.52 -0.96 0.01 0.00 -0.53 0.00 0.00 39.78 38.81 1x3p n ASN 37 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1x3p n VAL 38 N 0.06 3.07 0.13 3.44 3.14 -1.26 -4.20 118.33 122.72 1x3p n VAL 38 Ca 0.33 -2.31 0.00 0.00 -2.96 0.00 0.00 64.34 59.41 1x3p n VAL 38 Cb 0.71 -1.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 1x3p n VAL 38 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1x3p n ASP 39 N 0.37 -2.30 -0.03 6.55 8.00 -1.26 -5.04 116.55 122.84 1x3p n ASP 39 Ca 0.40 0.50 -0.00 0.00 0.71 0.00 0.00 54.79 56.40 1x3p n ASP 39 Cb 0.57 2.36 -0.00 0.00 -0.02 0.00 0.00 41.12 44.03 1x3p n ASP 39 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1x3p n SER 40 N -3.01 -3.51 0.00 -2.24 7.64 -1.26 -4.87 113.62 106.37 1x3p n SER 40 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1x3p n SER 40 Cb 0.00 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1x3p n SER 40 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1x3p n THR 41 N -2.83 0.00 0.16 0.44 -2.24 -1.26 -4.64 114.28 103.91 1x3p n THR 41 Ca -0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 1x3p n THR 41 Cb 0.09 -0.69 0.07 0.00 -2.10 0.00 0.00 70.33 67.70 1x3p n THR 41 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1x3p h LEU 42 N 0.00 0.00 0.00 3.22 -0.00 -2.01 -3.37 115.31 113.15 1x3p h LEU 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1x3p h LEU 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1x3p h LEU 42 CO 0.00 0.28 -0.34 0.52 -0.00 0.00 0.00 178.44 178.90 1x3p n VAL 43 N -3.12 0.83 -0.39 1.22 0.31 -1.26 -4.08 118.33 111.84 1x3p n VAL 43 Ca 0.02 0.33 0.30 0.00 -0.01 0.00 0.00 64.34 64.98 1x3p n VAL 43 Cb 0.65 -2.01 0.49 0.00 -0.91 0.00 0.00 33.84 32.05 1x3p n VAL 43 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1x3p n LEU 44 N -3.62 0.06 0.11 7.52 0.00 -1.26 0.20 117.00 120.01 1x3p n LEU 44 Ca -0.05 0.74 -0.12 0.00 0.00 0.00 0.00 56.01 56.59 1x3p n LEU 44 Cb 0.17 -0.37 -0.08 0.00 0.00 0.00 0.00 43.42 43.15 1x3p n LEU 44 CO 0.07 -0.78 0.46 -0.07 0.00 0.00 0.00 177.39 177.07 1x3p h LEU 45 N 0.00 -0.29 -0.66 -1.96 3.38 -1.76 1.41 115.31 115.43 1x3p h LEU 45 Ca 0.58 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1x3p h LEU 45 Cb 2.15 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.98 1x3p h LEU 45 CO -0.13 0.17 0.00 1.88 0.09 0.00 0.00 178.44 180.44 1x3p h TYR 46 N -0.83 0.00 -0.00 1.13 0.05 0.20 -0.37 116.97 117.14 1x3p h TYR 46 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1x3p h TYR 46 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1x3p h TYR 46 CO 0.05 0.00 -0.61 0.94 -1.05 0.00 0.00 178.16 177.49 1x3p n GLN 47 N -2.36 0.05 -0.21 4.88 0.00 0.53 -3.65 117.38 116.63 1x3p n GLN 47 Ca 0.03 -0.04 0.23 0.00 -0.00 0.00 0.00 57.00 57.22 1x3p n GLN 47 Cb 0.28 -1.50 0.61 0.00 0.00 0.00 0.00 30.24 29.62 1x3p n GLN 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.06 176.50 1x3p h GLN 48 N 0.09 0.22 0.67 3.69 3.07 0.37 1.44 115.11 124.66 1x3p h GLN 48 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1x3p h GLN 48 Cb 0.50 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 1x3p h GLN 48 CO 0.00 0.14 -0.41 1.96 0.09 0.00 0.00 178.83 180.61 1x3p h GLN 49 N 0.22 -0.98 -5.18 0.06 1.08 -1.70 -3.40 115.11 105.22 1x3p h GLN 49 Ca 0.45 0.07 -0.67 0.00 -1.45 0.00 0.00 58.65 57.04 1x3p h GLN 49 Cb 1.39 0.22 -0.17 0.00 -0.05 0.00 0.00 27.48 28.88 1x3p h GLN 49 CO -0.11 -0.66 0.00 -0.65 -0.95 0.00 0.00 178.83 176.47 1x3p s GLN 50 N -5.99 3.20 0.45 1.46 -1.52 0.49 -4.92 119.66 112.83 1x3p s GLN 50 Ca -0.18 -0.56 0.18 0.00 -1.95 0.00 0.00 55.36 52.85 1x3p s GLN 50 Cb 0.04 -3.97 0.98 0.00 -0.22 0.00 0.00 33.01 29.83 1x3p s GLN 50 CO 0.61 -0.98 1.48 -1.35 -0.25 0.00 0.00 175.29 174.81 1x3p h PRO 51 N 8.84 0.00 0.00 2.91 0.11 -1.78 -3.44 132.00 138.64 1x3p h PRO 51 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1x3p h PRO 51 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1x3p h PRO 51 CO 0.87 0.00 0.00 -0.12 -0.21 0.00 0.00 178.00 178.54 1x3p n MET 52 N -2.34 0.00 -0.65 1.05 1.56 -1.26 -4.89 117.12 110.58 1x3p n MET 52 Ca -0.01 0.04 -0.01 0.00 -0.27 0.00 0.00 57.70 57.45 1x3p n MET 52 Cb 0.37 -3.38 -0.01 0.00 2.15 0.00 0.00 33.22 32.35 1x3p n MET 52 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1x3p n ASN 53 N 1.91 -0.13 0.00 6.12 0.23 -1.26 -4.95 115.26 117.18 1x3p n ASN 53 Ca 0.00 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.63 1x3p n ASN 53 Cb 0.44 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1x3p n ASN 53 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71