#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 -0.73 -0.40 0.00 -7.23 -1.26 -5.01 120.40 105.77 1x3p s VAL 2 Ca 0.00 0.02 -0.26 0.00 -1.81 0.00 0.00 61.98 59.93 1x3p s VAL 2 Cb 0.00 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 36.15 1x3p s VAL 2 CO 0.00 -0.03 0.55 0.00 -0.31 0.00 0.00 175.10 175.31 1x3p n ALA 3 N 5.39 -2.59 -0.04 1.32 0.00 -1.26 -4.99 120.51 118.34 1x3p n ALA 3 Ca -0.05 0.62 -0.05 0.00 0.00 0.00 0.00 53.44 53.96 1x3p n ALA 3 Cb 0.50 -2.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 1x3p n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x3p n GLU 4 N -0.04 0.30 -3.03 0.00 -0.58 -1.26 -4.95 120.64 111.07 1x3p n GLU 4 Ca -0.00 0.12 -0.16 0.00 -0.42 0.00 0.00 57.16 56.69 1x3p n GLU 4 Cb 0.55 -0.99 -0.03 0.00 -0.57 0.00 0.00 31.44 30.40 1x3p n GLU 4 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x3p n SER 5 N -3.81 -1.58 -4.58 1.62 7.64 -1.26 -4.93 113.62 106.72 1x3p n SER 5 Ca -0.08 -2.82 -0.41 0.00 1.01 0.00 0.00 58.87 56.57 1x3p n SER 5 Cb 0.29 0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 63.96 1x3p n SER 5 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x3p s VAL 6 N 0.05 5.02 -0.45 0.44 1.01 -1.18 -4.31 120.40 120.98 1x3p s VAL 6 Ca 0.33 0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1x3p s VAL 6 Cb 0.12 -3.93 0.25 0.00 0.00 0.00 0.00 36.38 32.81 1x3p s VAL 6 CO -0.15 -0.14 0.77 2.30 0.00 0.00 0.00 175.10 177.88 1x3p n ILE 7 N 5.37 -0.24 -3.69 2.22 -0.00 -1.26 -4.91 119.36 116.85 1x3p n ILE 7 Ca -0.04 -2.40 -0.29 0.00 -0.00 0.00 0.00 62.75 60.02 1x3p n ILE 7 Cb 0.49 0.30 -0.12 0.00 -0.00 0.00 0.00 39.64 40.31 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 -1.52 1.76 0.07 3.28 0.00 -0.53 -4.87 107.32 105.50 1x3p s GLY 8 Ca 0.33 -2.72 -0.00 0.00 0.00 0.00 0.00 44.72 42.33 1x3p s GLY 8 CO -0.19 1.57 -0.04 0.54 0.00 0.00 0.00 173.10 174.98 1x3p s LYS 9 N 0.10 0.69 0.25 2.90 1.02 -1.26 0.17 119.74 123.60 1x3p s LYS 9 Ca 0.21 -1.26 0.21 0.00 0.02 0.00 0.00 55.97 55.15 1x3p s LYS 9 Cb -0.18 0.09 0.07 0.00 -0.52 0.00 0.00 37.83 37.29 1x3p s LYS 9 CO -0.05 -0.09 1.19 -0.09 -0.92 0.00 0.00 175.35 175.39 1x3p h ARG 10 N 3.09 0.00 0.00 1.68 2.43 -1.91 -3.48 114.38 116.19 1x3p h ARG 10 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1x3p h ARG 10 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1x3p h ARG 10 CO 0.65 0.08 0.00 0.28 -1.51 0.00 0.00 179.97 179.47 1x3p n VAL 11 N -2.85 0.00 0.00 0.20 0.31 -1.26 -4.88 118.33 109.84 1x3p n VAL 11 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1x3p n VAL 11 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 1x3p n VAL 11 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x3p n GLY 12 N 0.00 0.82 1.27 2.92 0.00 -1.24 -4.22 105.19 104.74 1x3p n GLY 12 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 1x3p n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x3p n ASP 13 N 0.00 -0.24 0.00 1.61 5.75 -1.26 -4.78 116.55 117.63 1x3p n ASP 13 Ca 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1x3p n ASP 13 Cb 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1x3p n ASP 13 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x3p n ASP 14 N 0.12 0.00 -2.70 -1.12 8.00 -1.26 -5.05 116.55 114.53 1x3p n ASP 14 Ca -0.15 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.32 1x3p n ASP 14 Cb 0.87 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 42.08 1x3p n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x3p n GLY 15 N -0.28 1.82 0.00 0.44 0.00 -1.26 -5.04 105.19 100.87 1x3p n GLY 15 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.12 0.00 -0.14 1.61 4.81 -1.26 -5.10 118.16 116.96 1x3p n LYS 16 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1x3p n LYS 16 Cb 0.86 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.91 1x3p n LYS 16 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1x3p n THR 17 N 0.00 0.00 0.00 3.15 5.66 -1.26 -3.61 114.28 118.22 1x3p n THR 17 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1x3p n THR 17 Cb 0.00 -1.65 0.00 0.00 -1.55 0.00 0.00 70.33 67.13 1x3p n THR 17 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1x3p n ILE 18 N -0.66 0.00 -3.88 1.09 2.08 -1.26 -4.74 119.36 112.00 1x3p n ILE 18 Ca 0.00 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.21 1x3p n ILE 18 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 1x3p n ILE 18 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1x3p s GLU 19 N -0.24 0.69 0.11 0.38 2.12 -1.26 -4.92 118.70 115.58 1x3p s GLU 19 Ca 0.00 -0.75 -0.28 0.00 0.36 0.00 0.00 54.97 54.30 1x3p s GLU 19 Cb 0.00 0.28 -0.06 0.00 0.26 0.00 0.00 34.13 34.61 1x3p s GLU 19 CO 0.00 -0.20 0.88 1.52 -0.54 0.00 0.00 175.26 176.92 1x3p s TYR 20 N -2.88 3.81 -0.23 5.30 -0.85 -1.26 -3.33 117.35 117.90 1x3p s TYR 20 Ca -0.03 1.69 -0.04 0.00 -0.52 0.00 0.00 57.07 58.18 1x3p s TYR 20 Cb 0.00 -2.95 0.13 0.00 0.38 0.00 0.00 41.96 39.52 1x3p s TYR 20 CO -0.06 0.28 0.40 -0.51 -1.52 0.00 0.00 175.55 174.14 1x3p s LEU 21 N -0.24 -0.67 -0.41 -3.49 1.43 0.44 -4.47 118.68 111.27 1x3p s LEU 21 Ca 0.43 0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 53.80 1x3p s LEU 21 Cb -0.23 1.22 0.02 0.00 0.03 0.00 0.00 46.19 47.23 1x3p s LEU 21 CO 0.27 -0.28 0.46 -0.69 0.23 0.00 0.00 176.35 176.34 1x3p s VAL 22 N 2.58 5.06 -0.21 -1.59 1.01 -0.75 -1.45 120.40 125.05 1x3p s VAL 22 Ca 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1x3p s VAL 22 Cb -0.15 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1x3p s VAL 22 CO -0.15 -0.39 -0.02 -0.54 0.00 0.00 0.00 175.10 174.00 1x3p s LYS 23 N 2.22 3.53 1.06 2.72 3.01 -1.26 -0.37 119.74 130.64 1x3p s LYS 23 Ca 0.14 -0.56 -0.18 0.00 -1.01 0.00 0.00 55.97 54.36 1x3p s LYS 23 Cb -0.16 -3.05 0.24 0.00 -1.01 0.00 0.00 37.83 33.85 1x3p s LYS 23 CO 0.14 -0.06 1.27 -1.58 0.51 0.00 0.00 175.35 175.63 1x3p s TRP 24 N 1.15 1.09 -0.54 3.18 0.23 -1.26 -3.09 118.94 119.70 1x3p s TRP 24 Ca 0.02 0.32 0.08 0.00 -2.03 0.00 0.00 56.10 54.50 1x3p s TRP 24 Cb -0.14 -3.97 0.48 0.00 0.03 0.00 0.00 33.47 29.87 1x3p s TRP 24 CO 0.01 -3.14 1.25 -2.37 0.96 0.00 0.00 176.95 173.66 1x3p n THR 25 N -4.13 1.67 0.00 2.01 5.66 -1.26 -4.03 114.28 114.20 1x3p n THR 25 Ca 0.15 -0.84 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 1x3p n THR 25 Cb 0.59 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 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 0.32 0.00 0.00 1.09 2.03 -1.26 -5.02 116.55 113.72 1x3p n ASP 26 Ca 0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1x3p n ASP 26 Cb 0.83 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 1x3p n ASP 26 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1x3p n MET 27 N 0.00 0.00 -1.46 -0.67 1.56 -1.26 -5.16 117.12 110.14 1x3p n MET 27 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1x3p n MET 27 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1x3p n MET 27 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1x3p n SER 28 N -2.05 -7.92 -2.78 6.12 7.64 -1.26 -4.90 113.62 108.47 1x3p n SER 28 Ca 0.00 1.29 -0.02 0.00 1.01 0.00 0.00 58.87 61.16 1x3p n SER 28 Cb 0.00 -4.39 0.01 0.00 -1.01 0.00 0.00 64.21 58.81 1x3p n SER 28 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x3p n ASP 29 N -1.32 -6.59 -0.09 6.43 9.92 -1.20 -4.79 116.55 118.90 1x3p n ASP 29 Ca 0.00 -0.12 -0.17 0.00 -0.53 0.00 0.00 54.79 53.97 1x3p n ASP 29 Cb 0.11 -4.48 -0.07 0.00 -0.64 0.00 0.00 41.12 36.05 1x3p n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x3p n ALA 30 N -1.79 1.82 -2.43 2.24 0.00 0.50 -5.01 120.51 115.84 1x3p n ALA 30 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1x3p n ALA 30 Cb 0.51 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.57 0.00 -3.73 0.00 -1.04 -1.14 -4.99 114.28 99.81 1x3p n THR 31 Ca -0.33 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.55 1x3p n THR 31 Cb 0.76 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.17 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 2.44 -0.41 0.00 -1.42 0.52 -1.26 -1.81 118.94 117.00 1x3p s TRP 32 Ca 0.00 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.08 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 -0.25 0.00 0.39 0.02 0.00 0.00 176.95 177.11 1x3p n GLU 33 N 2.56 0.00 0.00 4.98 1.02 -1.25 -4.44 120.64 123.51 1x3p n GLU 33 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1x3p n GLU 33 Cb 0.57 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 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 -0.94 0.00 -0.38 3.49 -0.02 -1.24 -0.85 135.00 135.07 1x3p n PRO 34 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1x3p n PRO 34 Cb 0.00 -0.05 -0.02 0.00 -0.02 0.00 0.00 33.50 33.42 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 0.75 -3.29 -0.52 7.27 -1.26 -4.11 117.38 116.23 1x3p n GLN 35 Ca 0.00 -0.10 -0.08 0.00 0.07 0.00 0.00 57.00 56.89 1x3p n GLN 35 Cb 0.00 -1.28 -0.05 0.00 2.41 0.00 0.00 30.24 31.33 1x3p n GLN 35 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1x3p s ASP 36 N 2.05 0.04 -0.27 1.69 2.15 -0.03 -4.49 116.67 117.81 1x3p s ASP 36 Ca 0.07 -0.83 0.00 0.00 0.43 0.00 0.00 52.55 52.22 1x3p s ASP 36 Cb 0.03 1.20 0.26 0.00 -0.30 0.00 0.00 42.92 44.12 1x3p s ASP 36 CO 0.00 -0.28 1.76 -0.46 -0.17 0.00 0.00 175.17 176.03 1x3p n ASN 37 N 4.77 5.10 -3.63 -0.34 6.94 -1.26 -4.50 115.26 122.35 1x3p n ASN 37 Ca 0.07 -2.94 -0.41 0.00 -0.02 0.00 0.00 54.58 51.28 1x3p n ASN 37 Cb 0.50 -0.88 -0.01 0.00 -2.36 0.00 0.00 39.78 37.03 1x3p n ASN 37 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1x3p n VAL 38 N 0.06 3.31 0.00 3.53 0.31 -1.26 -3.64 118.33 120.64 1x3p n VAL 38 Ca 0.30 -2.69 0.00 0.00 -0.01 0.00 0.00 64.34 61.93 1x3p n VAL 38 Cb 0.79 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1x3p n VAL 38 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1x3p n ASP 39 N 5.86 0.00 0.00 4.52 2.03 -1.26 -4.97 116.55 122.73 1x3p n ASP 39 Ca 0.55 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1x3p n ASP 39 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 0.00 -2.74 0.00 1.67 2.88 -1.24 -4.85 113.62 109.35 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 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1x3p n SER 40 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1x3p n THR 41 N -2.68 0.00 0.32 2.46 -1.04 -1.26 -4.66 114.28 107.42 1x3p n THR 41 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1x3p n THR 41 Cb 0.06 -0.80 0.08 0.00 -1.82 0.00 0.00 70.33 67.84 1x3p n THR 41 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1x3p h LEU 42 N 0.00 0.00 0.00 -4.42 7.12 -1.97 -3.38 115.31 112.66 1x3p h LEU 42 Ca 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.91 1x3p h LEU 42 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1x3p h LEU 42 CO 0.00 0.05 -0.46 0.52 -0.13 0.00 0.00 178.44 178.42 1x3p n VAL 43 N -2.44 1.06 -0.70 1.05 0.31 -1.26 -3.99 118.33 112.37 1x3p n VAL 43 Ca 0.02 0.28 0.52 0.00 -0.01 0.00 0.00 64.34 65.15 1x3p n VAL 43 Cb 0.50 -2.15 0.81 0.00 -0.91 0.00 0.00 33.84 32.08 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 -3.99 0.00 -0.04 7.52 0.00 -1.26 0.20 117.00 119.43 1x3p n LEU 44 Ca -0.06 0.98 -0.13 0.00 0.00 0.00 0.00 56.01 56.79 1x3p n LEU 44 Cb 0.24 -0.49 -0.08 0.00 0.00 0.00 0.00 43.42 43.09 1x3p n LEU 44 CO 0.10 -0.98 0.59 -0.07 0.00 0.00 0.00 177.39 177.03 1x3p h LEU 45 N 0.00 0.29 -1.29 -1.96 3.38 -1.75 1.36 115.31 115.34 1x3p h LEU 45 Ca 0.92 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 1x3p h LEU 45 Cb 3.73 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 44.40 1x3p h LEU 45 CO -0.01 0.73 -0.10 1.88 0.09 0.00 0.00 178.44 181.03 1x3p h TYR 46 N -0.15 0.00 -0.01 1.13 -1.99 0.22 -1.05 116.97 115.13 1x3p h TYR 46 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1x3p h TYR 46 Cb 0.66 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1x3p h TYR 46 CO 0.09 0.10 -0.42 0.94 -0.00 0.00 0.00 178.16 178.87 1x3p n GLN 47 N -3.25 0.51 -0.18 4.88 0.00 0.27 -3.62 117.38 116.00 1x3p n GLN 47 Ca 0.00 -0.33 0.26 0.00 -0.00 0.00 0.00 57.00 56.93 1x3p n GLN 47 Cb 0.36 -1.49 0.67 0.00 0.00 0.00 0.00 30.24 29.78 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 0.80 0.10 0.45 3.69 3.07 0.32 1.25 115.11 124.79 1x3p h GLN 48 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1x3p h GLN 48 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1x3p h GLN 48 CO 0.00 0.06 -0.22 1.96 0.09 0.00 0.00 178.83 180.73 1x3p h GLN 49 N 0.10 -0.58 -5.99 0.06 1.08 -1.70 -3.44 115.11 104.65 1x3p h GLN 49 Ca 0.42 0.04 -0.61 0.00 -1.45 0.00 0.00 58.65 57.05 1x3p h GLN 49 Cb 1.52 0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 29.03 1x3p h GLN 49 CO -0.05 -0.36 -0.22 -0.65 -0.95 0.00 0.00 178.83 176.60 1x3p s GLN 50 N -5.89 3.89 0.00 1.46 -1.52 0.43 -4.78 119.66 113.26 1x3p s GLN 50 Ca -0.16 0.38 0.12 0.00 -1.95 0.00 0.00 55.36 53.75 1x3p s GLN 50 Cb 0.04 -3.22 0.52 0.00 -0.22 0.00 0.00 33.01 30.13 1x3p s GLN 50 CO 0.62 0.69 1.38 -2.30 -0.25 0.00 0.00 175.29 175.43 1x3p n PRO 51 N 1.85 0.01 -1.15 2.91 -0.02 -1.26 -4.79 135.00 132.55 1x3p n PRO 51 Ca -0.14 0.29 -0.05 0.00 -2.02 0.00 0.00 63.50 61.57 1x3p n PRO 51 Cb 0.52 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1x3p n PRO 51 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1x3p n MET 52 N -1.48 -1.19 0.21 -0.52 0.00 -1.26 -4.84 117.12 108.05 1x3p n MET 52 Ca 0.03 0.57 0.15 0.00 -0.00 0.00 0.00 57.70 58.45 1x3p n MET 52 Cb 0.14 -4.60 0.76 0.00 0.00 0.00 0.00 33.22 29.51 1x3p n MET 52 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 1x3p h ASN 53 N 0.00 0.00 0.00 6.12 -1.07 -1.88 -3.46 115.58 115.29 1x3p h ASN 53 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.27 1x3p h ASN 53 Cb 0.75 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 1x3p h ASN 53 CO 0.15 0.00 0.00 -0.62 0.07 0.00 0.00 177.43 177.03