#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 -0.31 0.00 -7.23 -1.26 -5.14 120.40 106.46 1x3p s VAL 2 Ca 0.00 0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.13 1x3p s VAL 2 Cb 0.00 -0.59 0.03 0.00 0.56 0.00 0.00 36.38 36.37 1x3p s VAL 2 CO 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 174.86 1x3p s ALA 3 N 0.36 2.99 0.27 1.32 0.00 -1.26 -4.79 121.76 120.64 1x3p s ALA 3 Ca -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1x3p s ALA 3 Cb -0.04 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1x3p s ALA 3 CO -0.01 -1.10 0.00 -1.91 0.00 0.00 0.00 175.76 172.74 1x3p n GLU 4 N 4.80 0.00 -3.70 0.00 4.07 -1.26 -5.06 120.64 119.49 1x3p n GLU 4 Ca -0.14 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.61 1x3p n GLU 4 Cb 0.46 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.77 1x3p n GLU 4 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x3p s SER 5 N -4.53 6.30 -0.25 4.31 0.15 -1.26 -4.90 113.70 113.52 1x3p s SER 5 Ca 0.00 0.34 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 1x3p s SER 5 Cb 0.00 -2.11 0.14 0.00 -1.71 0.00 0.00 66.02 62.33 1x3p s SER 5 CO 0.00 0.20 0.37 0.68 1.20 0.00 0.00 173.24 175.69 1x3p s VAL 6 N 0.16 -0.58 -0.45 4.45 -7.23 -1.23 -2.64 120.40 112.88 1x3p s VAL 6 Ca 0.11 -0.14 0.07 0.00 -1.81 0.00 0.00 61.98 60.21 1x3p s VAL 6 Cb -0.12 -0.85 0.24 0.00 0.56 0.00 0.00 36.38 36.21 1x3p s VAL 6 CO 0.00 -0.18 0.73 -0.38 -0.31 0.00 0.00 175.10 174.96 1x3p n ILE 7 N 5.36 -0.30 -3.69 -0.62 -0.00 -1.26 -4.97 119.36 113.87 1x3p n ILE 7 Ca -0.03 -2.53 -0.14 0.00 -0.00 0.00 0.00 62.75 60.05 1x3p n ILE 7 Cb 0.50 0.05 -0.14 0.00 -0.00 0.00 0.00 39.64 40.04 1x3p n ILE 7 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1x3p s GLY 8 N -1.40 -0.06 -0.00 7.39 0.00 -1.02 -4.89 107.32 107.35 1x3p s GLY 8 Ca 0.33 0.80 -0.18 0.00 0.00 0.00 0.00 44.72 45.67 1x3p s GLY 8 CO -0.19 1.57 0.40 1.25 0.00 0.00 0.00 173.10 176.13 1x3p s LYS 9 N 1.92 0.80 0.00 2.90 2.47 -1.26 -3.13 119.74 123.45 1x3p s LYS 9 Ca -0.02 -0.17 0.15 0.00 -1.56 0.00 0.00 55.97 54.36 1x3p s LYS 9 Cb -0.12 0.36 0.56 0.00 -1.46 0.00 0.00 37.83 37.18 1x3p s LYS 9 CO -0.07 -0.24 1.41 -2.13 0.16 0.00 0.00 175.35 174.47 1x3p n ARG 10 N 0.99 1.57 0.00 4.03 3.00 0.11 -4.87 116.66 121.49 1x3p n ARG 10 Ca -0.20 -0.88 0.00 0.00 -0.00 0.00 0.00 57.85 56.77 1x3p n ARG 10 Cb 0.57 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.74 1x3p n ARG 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1x3p n VAL 11 N 0.15 0.00 -2.84 5.15 0.31 -1.26 -4.60 118.33 115.24 1x3p n VAL 11 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.26 1x3p n VAL 11 Cb 0.24 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.22 1x3p n VAL 11 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1x3p s GLY 12 N 0.00 1.84 -0.56 2.92 0.00 -1.26 -4.96 107.32 105.29 1x3p s GLY 12 Ca 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 1x3p s GLY 12 CO 0.00 -1.35 2.50 2.09 0.00 0.00 0.00 173.10 176.33 1x3p n ASP 13 N -2.23 6.81 0.00 1.64 5.68 -1.26 -4.35 116.55 122.84 1x3p n ASP 13 Ca 0.11 -3.40 0.00 0.00 -0.50 0.00 0.00 54.79 51.00 1x3p n ASP 13 Cb 0.60 -1.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 1x3p n ASP 13 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1x3p n ASP 14 N 0.38 0.00 -1.13 -1.12 9.92 -1.26 -5.04 116.55 118.31 1x3p n ASP 14 Ca 0.50 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.74 1x3p n ASP 14 Cb 0.47 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.92 1x3p n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x3p n GLY 15 N 4.42 0.72 2.48 0.44 0.00 -1.26 -4.96 105.19 107.03 1x3p n GLY 15 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1x3p n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3p n LYS 16 N 0.19 0.95 -2.27 1.61 5.02 -1.26 -5.14 118.16 117.26 1x3p n LYS 16 Ca -0.12 -2.58 -0.26 0.00 -2.02 0.00 0.00 58.31 53.33 1x3p n LYS 16 Cb 0.86 -1.35 0.12 0.00 -0.02 0.00 0.00 35.03 34.64 1x3p n LYS 16 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1x3p s THR 17 N -0.86 2.14 0.03 -0.18 -1.32 -1.26 -4.26 115.64 109.92 1x3p s THR 17 Ca 0.31 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1x3p s THR 17 Cb 0.30 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1x3p s THR 17 CO -0.09 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 171.94 1x3p n ILE 18 N -3.16 0.00 -3.68 5.08 5.41 -1.26 -4.90 119.36 116.86 1x3p n ILE 18 Ca 0.13 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.77 1x3p n ILE 18 Cb 0.60 -0.35 -0.06 0.00 -0.71 0.00 0.00 39.64 39.12 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 -2.00 0.95 0.18 0.38 0.41 -1.26 -4.88 118.70 112.49 1x3p s GLU 19 Ca 0.00 -0.55 -0.27 0.00 -0.41 0.00 0.00 54.97 53.74 1x3p s GLU 19 Cb 0.00 0.42 -0.08 0.00 -1.78 0.00 0.00 34.13 32.69 1x3p s GLU 19 CO 0.00 -0.34 0.83 1.52 -0.49 0.00 0.00 175.26 176.78 1x3p s TYR 20 N -3.06 3.92 -0.21 1.61 -0.85 -1.26 0.08 117.35 117.58 1x3p s TYR 20 Ca -0.02 1.72 -0.06 0.00 -0.52 0.00 0.00 57.07 58.20 1x3p s TYR 20 Cb 0.01 -2.84 0.10 0.00 0.38 0.00 0.00 41.96 39.60 1x3p s TYR 20 CO -0.07 0.48 0.41 -1.17 -1.52 0.00 0.00 175.55 173.68 1x3p s LEU 21 N -1.07 -0.65 0.02 -3.49 1.98 -1.18 -4.52 118.68 109.77 1x3p s LEU 21 Ca 0.38 0.83 0.02 0.00 -2.89 0.00 0.00 54.13 52.46 1x3p s LEU 21 Cb -0.24 1.30 -0.04 0.00 0.66 0.00 0.00 46.19 47.87 1x3p s LEU 21 CO 0.28 -0.25 0.04 -0.69 -1.89 0.00 0.00 176.35 173.84 1x3p s VAL 22 N 2.60 4.38 -0.37 1.68 1.01 -1.03 -2.42 120.40 126.24 1x3p s VAL 22 Ca 0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1x3p s VAL 22 Cb -0.13 -3.01 0.16 0.00 0.00 0.00 0.00 36.38 33.40 1x3p s VAL 22 CO -0.13 0.29 0.40 -0.54 0.00 0.00 0.00 175.10 175.12 1x3p s LYS 23 N -1.85 0.64 1.46 2.72 3.01 -1.26 -2.69 119.74 121.76 1x3p s LYS 23 Ca 0.23 -0.75 -0.24 0.00 -1.01 0.00 0.00 55.97 54.20 1x3p s LYS 23 Cb -0.12 -0.64 0.38 0.00 -1.01 0.00 0.00 37.83 36.44 1x3p s LYS 23 CO 0.14 -1.18 0.91 -1.58 0.51 0.00 0.00 175.35 174.15 1x3p s TRP 24 N 1.54 -0.85 -0.44 3.18 0.23 -1.08 -3.58 118.94 117.93 1x3p s TRP 24 Ca 0.16 0.54 0.06 0.00 -2.03 0.00 0.00 56.10 54.84 1x3p s TRP 24 Cb -0.14 -2.84 0.48 0.00 0.03 0.00 0.00 33.47 30.99 1x3p s TRP 24 CO -0.06 -5.15 1.39 -2.37 0.96 0.00 0.00 176.95 171.72 1x3p n THR 25 N -5.75 1.96 -3.27 2.01 5.66 -1.26 -4.39 114.28 109.24 1x3p n THR 25 Ca 0.13 -0.99 -0.06 0.00 -3.05 0.00 0.00 64.05 60.08 1x3p n THR 25 Cb 0.60 -0.47 -0.04 0.00 -1.55 0.00 0.00 70.33 68.87 1x3p n THR 25 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1x3p s ASP 26 N -0.47 -0.35 -0.13 1.09 1.01 -1.26 -5.00 116.67 111.57 1x3p s ASP 26 Ca 0.35 -0.80 -0.04 0.00 0.71 0.00 0.00 52.55 52.76 1x3p s ASP 26 Cb 0.27 1.38 0.01 0.00 1.01 0.00 0.00 42.92 45.59 1x3p s ASP 26 CO 0.09 -0.25 0.16 0.23 0.21 0.00 0.00 175.17 175.60 1x3p n MET 27 N 4.70 -0.77 -0.83 8.23 2.81 -1.26 -5.00 117.12 125.00 1x3p n MET 27 Ca 0.08 1.02 -0.35 0.00 -1.81 0.00 0.00 57.70 56.64 1x3p n MET 27 Cb 0.52 -2.72 0.10 0.00 -0.71 0.00 0.00 33.22 30.41 1x3p n MET 27 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1x3p n SER 28 N -0.36 -2.83 -2.52 7.83 3.41 -1.26 -4.43 113.62 113.47 1x3p n SER 28 Ca 0.03 -0.03 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1x3p n SER 28 Cb 0.12 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1x3p n SER 28 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x3p n ASP 29 N 0.77 -5.91 -0.02 4.04 -0.08 -1.21 -4.92 116.55 109.23 1x3p n ASP 29 Ca -0.00 0.03 -0.02 0.00 -1.51 0.00 0.00 54.79 53.29 1x3p n ASP 29 Cb 0.67 -3.90 -0.01 0.00 2.34 0.00 0.00 41.12 40.22 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 -1.29 0.22 -2.25 -1.67 0.00 -1.10 -5.02 120.51 109.40 1x3p n ALA 30 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1x3p n ALA 30 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.85 0.00 -3.68 0.00 -1.04 -1.26 -5.01 114.28 100.44 1x3p n THR 31 Ca -0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.84 1x3p n THR 31 Cb 0.09 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.52 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 3.09 -0.34 0.00 -1.42 0.52 -1.26 -2.48 118.94 117.06 1x3p s TRP 32 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 56.10 56.65 1x3p s TRP 32 Cb 0.00 0.20 0.00 0.00 -1.15 0.00 0.00 33.47 32.52 1x3p s TRP 32 CO 0.00 -0.47 0.00 0.39 0.02 0.00 0.00 176.95 176.89 1x3p n GLU 33 N 1.11 0.00 0.00 4.98 1.02 -1.20 -4.49 120.64 122.06 1x3p n GLU 33 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1x3p n GLU 33 Cb 0.57 -0.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 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 -0.36 0.00 -0.52 3.49 -0.02 -1.25 -1.33 135.00 135.00 1x3p n PRO 34 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 1x3p n PRO 34 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1x3p n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x3p n GLN 35 N 0.00 1.26 -2.92 -0.52 10.64 -1.26 -4.24 117.38 120.33 1x3p n GLN 35 Ca 0.00 -0.81 -0.11 0.00 -1.83 0.00 0.00 57.00 54.25 1x3p n GLN 35 Cb 0.00 -2.00 -0.01 0.00 -0.86 0.00 0.00 30.24 27.37 1x3p n GLN 35 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1x3p n ASP 36 N 3.43 -2.48 -1.72 2.61 9.92 -0.45 -4.90 116.55 122.97 1x3p n ASP 36 Ca 0.27 -2.87 -0.12 0.00 -0.53 0.00 0.00 54.79 51.54 1x3p n ASP 36 Cb 0.29 1.12 0.05 0.00 -0.64 0.00 0.00 41.12 41.94 1x3p n ASP 36 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1x3p n ASN 37 N 2.55 5.28 -2.27 -2.24 5.15 -1.26 -4.58 115.26 117.89 1x3p n ASN 37 Ca 0.19 -2.85 -0.21 0.00 -0.60 0.00 0.00 54.58 51.11 1x3p n ASN 37 Cb 0.56 -0.92 -0.09 0.00 -0.53 0.00 0.00 39.78 38.79 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 0.30 3.16 0.00 3.44 3.14 -1.26 -3.89 118.33 123.22 1x3p n VAL 38 Ca 0.25 -2.36 0.00 0.00 -2.96 0.00 0.00 64.34 59.27 1x3p n VAL 38 Cb 0.70 -1.72 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 1x3p n VAL 38 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1x3p n ASP 39 N 1.42 -0.04 0.00 6.55 2.03 -1.26 -5.03 116.55 120.22 1x3p n ASP 39 Ca 0.45 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1x3p n ASP 39 Cb 0.68 0.40 0.00 0.00 -0.72 0.00 0.00 41.12 41.48 1x3p n ASP 39 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x3p n SER 40 N -2.38 -2.82 0.02 1.67 2.88 -1.25 -4.78 113.62 106.95 1x3p n SER 40 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x3p n SER 40 Cb 0.00 -1.68 0.00 0.00 -0.75 0.00 0.00 64.21 61.78 1x3p n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1x3p n THR 41 N -2.33 0.36 0.11 2.46 -2.24 -1.26 -4.57 114.28 106.82 1x3p n THR 41 Ca 0.00 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1x3p n THR 41 Cb 0.15 -1.16 0.01 0.00 -2.10 0.00 0.00 70.33 67.23 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 4.07 -2.00 -3.37 115.31 117.22 1x3p h LEU 42 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1x3p h LEU 42 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1x3p h LEU 42 CO 0.00 0.17 -0.81 0.52 -1.08 0.00 0.00 178.44 177.24 1x3p n VAL 43 N -2.84 1.45 -0.58 1.22 0.31 -1.26 -4.08 118.33 112.56 1x3p n VAL 43 Ca -0.01 0.14 0.45 0.00 -0.01 0.00 0.00 64.34 64.90 1x3p n VAL 43 Cb 0.63 -2.31 0.69 0.00 -0.91 0.00 0.00 33.84 31.94 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 -4.54 0.00 0.14 7.52 7.94 -1.26 0.17 117.00 126.96 1x3p n LEU 44 Ca -0.15 0.86 -0.11 0.00 -1.11 0.00 0.00 56.01 55.51 1x3p n LEU 44 Cb 0.40 -0.42 -0.06 0.00 0.53 0.00 0.00 43.42 43.87 1x3p n LEU 44 CO 0.13 -0.86 0.36 -0.07 -1.11 0.00 0.00 177.39 175.84 1x3p h LEU 45 N 0.00 -0.35 -1.98 -1.96 3.38 -1.74 1.44 115.31 114.10 1x3p h LEU 45 Ca 0.79 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.59 1x3p h LEU 45 Cb 3.30 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 44.14 1x3p h LEU 45 CO -0.01 0.12 -0.03 1.88 0.09 0.00 0.00 178.44 180.49 1x3p h TYR 46 N -0.97 0.00 -0.01 1.13 -1.99 0.83 0.73 116.97 116.69 1x3p h TYR 46 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1x3p h TYR 46 Cb 0.49 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1x3p h TYR 46 CO 0.04 0.03 -0.28 0.94 -0.00 0.00 0.00 178.16 178.88 1x3p n GLN 47 N -3.17 0.91 -0.04 4.88 0.00 0.45 -3.53 117.38 116.87 1x3p n GLN 47 Ca -0.01 -0.57 0.23 0.00 -0.00 0.00 0.00 57.00 56.65 1x3p n GLN 47 Cb 0.23 -1.49 0.71 0.00 0.00 0.00 0.00 30.24 29.69 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 1.40 0.00 0.22 3.69 3.07 0.45 1.27 115.11 125.20 1x3p h GLN 48 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1x3p h GLN 48 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 1x3p h GLN 48 CO 0.00 0.00 -0.11 1.96 0.09 0.00 0.00 178.83 180.77 1x3p h GLN 49 N 0.00 -0.29 -5.85 0.06 1.08 -1.70 -3.44 115.11 104.98 1x3p h GLN 49 Ca 0.30 0.02 -0.60 0.00 -1.45 0.00 0.00 58.65 56.91 1x3p h GLN 49 Cb 1.23 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.66 1x3p h GLN 49 CO -0.00 -0.08 -0.23 -0.65 -0.95 0.00 0.00 178.83 176.91 1x3p s GLN 50 N -5.56 4.01 0.00 1.46 -1.52 0.43 -4.88 119.66 113.61 1x3p s GLN 50 Ca -0.15 0.32 0.27 0.00 -1.95 0.00 0.00 55.36 53.86 1x3p s GLN 50 Cb 0.04 -3.29 1.47 0.00 -0.22 0.00 0.00 33.01 31.01 1x3p s GLN 50 CO 0.63 0.53 1.94 -0.35 -0.25 0.00 0.00 175.29 177.78 1x3p n PRO 51 N 2.46 0.60 -2.17 2.91 -0.04 -1.26 -4.79 135.00 132.71 1x3p n PRO 51 Ca -0.13 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.19 1x3p n PRO 51 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1x3p n PRO 51 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1x3p n MET 52 N -1.15 -1.29 -0.00 0.54 1.56 -1.26 -4.86 117.12 110.66 1x3p n MET 52 Ca 0.16 0.85 0.04 0.00 -0.27 0.00 0.00 57.70 58.48 1x3p n MET 52 Cb 0.15 -5.23 -0.05 0.00 2.15 0.00 0.00 33.22 30.24 1x3p n MET 52 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1x3p n ASN 53 N -1.08 1.30 0.00 6.12 4.13 -1.26 -4.95 115.26 119.53 1x3p n ASN 53 Ca -0.19 -0.45 0.09 0.00 1.68 0.00 0.00 54.58 55.71 1x3p n ASN 53 Cb 0.63 1.12 0.54 0.00 -1.54 0.00 0.00 39.78 40.53 1x3p n ASN 53 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92