#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3p n VAL 2 N 0.00 -1.11 -2.99 0.00 0.31 -1.26 -4.96 118.33 108.33 1x3p n VAL 2 Ca 0.00 0.90 -0.11 0.00 -0.01 0.00 0.00 64.34 65.12 1x3p n VAL 2 Cb 0.00 -1.38 0.01 0.00 -0.91 0.00 0.00 33.84 31.56 1x3p n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x3p n ALA 3 N -3.75 -2.88 0.09 3.52 0.00 -1.26 -5.00 120.51 111.23 1x3p n ALA 3 Ca -0.07 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1x3p n ALA 3 Cb 0.56 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 0.16 0.00 -3.18 0.00 -0.58 -1.26 -4.99 120.64 110.79 1x3p n GLU 4 Ca 0.03 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.58 1x3p n GLU 4 Cb 0.39 -0.25 -0.04 0.00 -0.57 0.00 0.00 31.44 30.98 1x3p n GLU 4 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x3p n SER 5 N -3.45 0.88 -4.46 1.62 2.88 -1.26 -4.79 113.62 105.04 1x3p n SER 5 Ca 0.00 -3.00 -0.44 0.00 -1.33 0.00 0.00 58.87 54.11 1x3p n SER 5 Cb 0.02 -0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 62.83 1x3p n SER 5 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1x3p s VAL 6 N -2.35 4.70 0.00 2.46 -7.23 -1.26 -4.15 120.40 112.57 1x3p s VAL 6 Ca 0.40 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 59.07 1x3p s VAL 6 Cb 0.33 -4.79 0.11 0.00 0.56 0.00 0.00 36.38 32.58 1x3p s VAL 6 CO -0.08 -1.53 0.93 2.30 -0.31 0.00 0.00 175.10 176.41 1x3p n ILE 7 N 5.54 0.00 -3.21 -0.62 -6.64 -1.26 -4.99 119.36 108.17 1x3p n ILE 7 Ca 0.25 -0.25 -0.41 0.00 -1.77 0.00 0.00 62.75 60.56 1x3p n ILE 7 Cb 0.49 0.52 -0.07 0.00 -1.44 0.00 0.00 39.64 39.13 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 -1.03 1.81 0.16 3.28 0.00 -0.50 -5.02 107.32 106.01 1x3p s GLY 8 Ca 0.09 -0.87 -0.07 0.00 0.00 0.00 0.00 44.72 43.86 1x3p s GLY 8 CO -0.04 1.31 0.23 0.54 0.00 0.00 0.00 173.10 175.14 1x3p s LYS 9 N 2.44 1.12 0.00 2.90 1.02 -1.26 0.41 119.74 126.38 1x3p s LYS 9 Ca 0.21 -1.26 0.16 0.00 0.02 0.00 0.00 55.97 55.10 1x3p s LYS 9 Cb -0.15 0.35 0.62 0.00 -0.52 0.00 0.00 37.83 38.12 1x3p s LYS 9 CO 0.13 -0.39 1.44 0.54 -0.92 0.00 0.00 175.35 176.15 1x3p n ARG 10 N -0.20 1.56 0.00 1.68 5.12 0.36 -4.87 116.66 120.31 1x3p n ARG 10 Ca -0.06 -0.85 0.00 0.00 -1.93 0.00 0.00 57.85 55.01 1x3p n ARG 10 Cb 0.63 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 1x3p n ARG 10 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1x3p n VAL 11 N 0.11 0.00 -3.05 1.55 0.31 -1.26 -4.65 118.33 111.34 1x3p n VAL 11 Ca 0.13 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.27 1x3p n VAL 11 Cb 0.24 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.23 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 1.77 -0.57 2.92 0.00 -1.26 -4.95 107.32 105.22 1x3p s GLY 12 Ca 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 44.72 42.63 1x3p s GLY 12 CO 0.00 -1.67 2.11 2.09 0.00 0.00 0.00 173.10 175.63 1x3p n ASP 13 N -2.18 7.22 0.00 1.64 5.75 -1.26 -4.36 116.55 123.35 1x3p n ASP 13 Ca 0.14 -3.53 0.00 0.00 -0.01 0.00 0.00 54.79 51.39 1x3p n ASP 13 Cb 0.61 -1.04 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 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 -0.33 0.00 -1.19 -1.12 9.92 -1.26 -5.00 116.55 117.57 1x3p n ASP 14 Ca 0.51 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.75 1x3p n ASP 14 Cb 0.57 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.01 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 3.57 0.71 2.57 0.44 0.00 -1.26 -4.97 105.19 106.25 1x3p n GLY 15 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.21 0.92 -2.29 1.61 5.02 -1.26 -5.14 118.16 117.22 1x3p n LYS 16 Ca -0.13 -2.31 -0.25 0.00 -2.02 0.00 0.00 58.31 53.60 1x3p n LYS 16 Cb 0.88 -1.29 0.09 0.00 -0.02 0.00 0.00 35.03 34.69 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 -0.32 2.23 0.07 -0.18 -1.32 -1.26 -4.33 115.64 110.53 1x3p s THR 17 Ca 0.29 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1x3p s THR 17 Cb 0.27 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1x3p s THR 17 CO -0.11 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 171.92 1x3p n ILE 18 N -2.99 0.00 -3.65 5.08 2.08 -1.26 -4.91 119.36 113.71 1x3p n ILE 18 Ca 0.11 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.29 1x3p n ILE 18 Cb 0.60 -0.43 -0.06 0.00 -0.75 0.00 0.00 39.64 39.00 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 -2.00 0.96 0.17 0.38 2.12 -1.26 -4.87 118.70 114.20 1x3p s GLU 19 Ca 0.00 -0.41 -0.25 0.00 0.36 0.00 0.00 54.97 54.66 1x3p s GLU 19 Cb 0.00 0.43 -0.08 0.00 0.26 0.00 0.00 34.13 34.74 1x3p s GLU 19 CO 0.00 -0.34 0.78 1.52 -0.54 0.00 0.00 175.26 176.68 1x3p s TYR 20 N -2.72 3.90 -0.24 5.30 -0.85 -1.26 0.13 117.35 121.61 1x3p s TYR 20 Ca -0.04 1.63 -0.04 0.00 -0.52 0.00 0.00 57.07 58.11 1x3p s TYR 20 Cb -0.00 -2.77 0.13 0.00 0.38 0.00 0.00 41.96 39.70 1x3p s TYR 20 CO -0.04 0.51 0.43 -0.51 -1.52 0.00 0.00 175.55 174.41 1x3p s LEU 21 N -1.19 -0.76 -0.91 -3.49 1.43 0.17 -4.53 118.68 109.40 1x3p s LEU 21 Ca 0.36 0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 53.91 1x3p s LEU 21 Cb -0.23 1.36 0.23 0.00 0.03 0.00 0.00 46.19 47.58 1x3p s LEU 21 CO 0.26 -0.28 0.84 -0.69 0.23 0.00 0.00 176.35 176.72 1x3p s VAL 22 N 2.62 5.24 -0.53 -1.59 1.01 -1.06 -1.42 120.40 124.67 1x3p s VAL 22 Ca 0.10 -3.13 -0.16 0.00 0.00 0.00 0.00 61.98 58.79 1x3p s VAL 22 Cb -0.15 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.13 1x3p s VAL 22 CO -0.16 -1.07 0.50 -0.54 0.00 0.00 0.00 175.10 173.83 1x3p s LYS 23 N -0.65 3.00 0.20 2.72 3.01 -1.26 -0.46 119.74 126.29 1x3p s LYS 23 Ca 0.24 -1.59 -0.03 0.00 -1.01 0.00 0.00 55.97 53.58 1x3p s LYS 23 Cb -0.11 -4.26 0.04 0.00 -1.01 0.00 0.00 37.83 32.49 1x3p s LYS 23 CO -0.09 -1.29 0.10 0.91 0.51 0.00 0.00 175.35 175.49 1x3p n TRP 24 N 5.36 -1.55 -3.27 3.18 5.03 -1.26 -4.29 117.44 120.64 1x3p n TRP 24 Ca -0.13 -0.05 -0.33 0.00 3.03 0.00 0.00 57.50 60.02 1x3p n TRP 24 Cb 0.41 -0.23 -0.06 0.00 -1.03 0.00 0.00 31.31 30.41 1x3p n TRP 24 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 1x3p s THR 25 N -0.88 4.79 -0.55 -0.99 -1.32 -1.26 -3.98 115.64 111.45 1x3p s THR 25 Ca 0.07 0.76 0.00 0.00 -1.21 0.00 0.00 61.69 61.31 1x3p s THR 25 Cb -0.01 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1x3p s THR 25 CO 0.06 -0.07 0.00 -0.67 -2.21 0.00 0.00 174.62 171.73 1x3p n ASP 26 N -0.09 -2.90 -1.74 8.08 2.03 -1.26 -4.72 116.55 115.94 1x3p n ASP 26 Ca 0.01 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1x3p n ASP 26 Cb 0.53 -1.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 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 -2.05 -4.92 0.00 -0.67 0.00 -1.26 -5.05 117.12 103.17 1x3p n MET 27 Ca -0.07 3.59 0.00 0.00 -0.00 0.00 0.00 57.70 61.23 1x3p n MET 27 Cb 0.42 -3.99 0.00 0.00 0.00 0.00 0.00 33.22 29.65 1x3p n MET 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1x3p n SER 28 N -0.02 0.00 -2.65 6.12 3.41 -1.26 -4.95 113.62 114.27 1x3p n SER 28 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1x3p n SER 28 Cb 0.00 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.50 -5.30 0.00 4.04 2.03 -1.26 -4.95 116.55 109.61 1x3p n ASP 29 Ca 0.00 1.38 0.00 0.00 0.52 0.00 0.00 54.79 56.69 1x3p n ASP 29 Cb 0.00 -5.25 0.00 0.00 -0.72 0.00 0.00 41.12 35.15 1x3p n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x3p n ALA 30 N 1.03 0.00 -2.46 -1.67 0.00 0.39 -4.96 120.51 112.84 1x3p n ALA 30 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1x3p n ALA 30 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1x3p n ALA 30 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x3p n THR 31 N -0.42 0.00 -3.70 0.00 5.66 -1.24 -4.95 114.28 109.64 1x3p n THR 31 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 1x3p n THR 31 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1x3p n THR 31 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1x3p s TRP 32 N 3.32 -0.34 0.00 1.09 0.52 -1.26 -2.57 118.94 119.70 1x3p s TRP 32 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 56.10 56.73 1x3p s TRP 32 Cb 0.00 0.18 0.00 0.00 -1.15 0.00 0.00 33.47 32.50 1x3p s TRP 32 CO 0.00 -0.41 0.00 0.39 0.02 0.00 0.00 176.95 176.95 1x3p n GLU 33 N 1.46 0.00 0.00 4.98 -0.58 -1.23 -4.43 120.64 120.84 1x3p n GLU 33 Ca -0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1x3p n GLU 33 Cb 0.56 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 1x3p n GLU 33 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1x3p n PRO 34 N -0.17 0.00 -0.38 3.49 -0.02 -1.23 -1.29 135.00 135.40 1x3p n PRO 34 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1x3p n PRO 34 Cb 0.00 -0.03 -0.06 0.00 -0.02 0.00 0.00 33.50 33.40 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 0.79 -3.27 -0.52 -0.06 -1.26 -4.04 117.38 109.01 1x3p n GLN 35 Ca 0.00 -0.43 -0.06 0.00 -2.00 0.00 0.00 57.00 54.51 1x3p n GLN 35 Cb 0.00 -1.73 -0.05 0.00 -4.06 0.00 0.00 30.24 24.40 1x3p n GLN 35 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1x3p s ASP 36 N 2.73 0.01 -0.39 1.69 1.11 -0.41 -4.86 116.67 116.55 1x3p s ASP 36 Ca 0.25 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.70 1x3p s ASP 36 Cb 0.11 1.28 0.36 0.00 1.07 0.00 0.00 42.92 45.75 1x3p s ASP 36 CO -0.00 -0.34 1.86 -3.20 1.18 0.00 0.00 175.17 174.66 1x3p n ASN 37 N 5.36 5.54 -4.77 0.27 5.15 -1.26 -4.04 115.26 121.51 1x3p n ASN 37 Ca 0.02 -3.23 -0.38 0.00 -0.60 0.00 0.00 54.58 50.39 1x3p n ASN 37 Cb 0.50 -0.91 -0.02 0.00 -0.53 0.00 0.00 39.78 38.83 1x3p n ASN 37 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1x3p s VAL 38 N -2.81 3.15 0.00 3.44 1.01 -1.26 -3.72 120.40 120.21 1x3p s VAL 38 Ca 0.41 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1x3p s VAL 38 Cb 0.33 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1x3p s VAL 38 CO 0.03 0.08 0.00 0.47 0.00 0.00 0.00 175.10 175.68 1x3p n ASP 39 N 0.05 0.00 0.00 3.32 8.00 -1.26 -4.15 116.55 122.51 1x3p n ASP 39 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1x3p n ASP 39 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 3.17 -1.98 0.00 -2.24 7.64 -1.24 -4.94 113.62 114.02 1x3p n SER 40 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x3p n SER 40 Cb 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.66 0.00 0.30 0.44 -2.24 -1.26 -4.67 114.28 104.19 1x3p n THR 41 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1x3p n THR 41 Cb 0.00 -0.94 0.06 0.00 -2.10 0.00 0.00 70.33 67.35 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 3.38 -1.92 -3.37 115.31 116.62 1x3p h LEU 42 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x3p h LEU 42 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x3p h LEU 42 CO 0.00 0.05 -0.27 0.52 0.09 0.00 0.00 178.44 178.84 1x3p n VAL 43 N -2.43 0.73 -0.26 1.22 0.31 -1.26 -4.33 118.33 112.32 1x3p n VAL 43 Ca 0.01 0.35 0.05 0.00 -0.01 0.00 0.00 64.34 64.75 1x3p n VAL 43 Cb 0.50 -1.96 0.11 0.00 -0.91 0.00 0.00 33.84 31.58 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 -3.48 -0.25 -0.02 7.52 0.00 -1.26 -0.88 117.00 118.63 1x3p n LEU 44 Ca -0.04 1.27 -0.13 0.00 0.00 0.00 0.00 56.01 57.11 1x3p n LEU 44 Cb 0.14 -0.39 -0.08 0.00 0.00 0.00 0.00 43.42 43.08 1x3p n LEU 44 CO 0.06 -1.22 0.50 -0.07 0.00 0.00 0.00 177.39 176.66 1x3p h LEU 45 N 0.00 -1.48 -1.66 -1.96 3.38 -1.78 1.76 115.31 113.57 1x3p h LEU 45 Ca 0.36 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1x3p h LEU 45 Cb 0.57 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1x3p h LEU 45 CO -0.75 -0.41 0.00 1.88 0.09 0.00 0.00 178.44 179.25 1x3p h TYR 46 N -0.48 0.00 -0.01 1.13 -1.99 -1.20 1.06 116.97 115.48 1x3p h TYR 46 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1x3p h TYR 46 Cb 0.57 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.30 1x3p h TYR 46 CO -0.58 0.00 -0.35 0.94 -0.00 0.00 0.00 178.16 178.17 1x3p n GLN 47 N -2.44 0.74 -0.14 4.88 0.00 0.35 -3.51 117.38 117.26 1x3p n GLN 47 Ca -0.01 -0.47 0.25 0.00 -0.00 0.00 0.00 57.00 56.77 1x3p n GLN 47 Cb 0.07 -1.49 0.69 0.00 0.00 0.00 0.00 30.24 29.51 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 1.15 0.05 0.33 3.69 3.07 1.08 1.37 115.11 125.86 1x3p h GLN 48 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1x3p h GLN 48 Cb 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.09 1x3p h GLN 48 CO 0.00 0.03 -0.16 1.96 0.09 0.00 0.00 178.83 180.76 1x3p h GLN 49 N 0.05 -0.43 -6.04 0.06 1.08 -1.68 -3.44 115.11 104.72 1x3p h GLN 49 Ca 0.38 0.03 -0.60 0.00 -1.45 0.00 0.00 58.65 57.01 1x3p h GLN 49 Cb 1.45 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 28.93 1x3p h GLN 49 CO -0.03 -0.24 -0.19 -0.65 -0.95 0.00 0.00 178.83 176.77 1x3p s GLN 50 N -5.84 3.93 0.00 1.46 -1.52 0.47 -4.86 119.66 113.30 1x3p s GLN 50 Ca -0.15 0.42 0.23 0.00 -1.95 0.00 0.00 55.36 53.91 1x3p s GLN 50 Cb 0.04 -3.20 1.35 0.00 -0.22 0.00 0.00 33.01 30.98 1x3p s GLN 50 CO 0.63 0.68 1.75 -0.35 -0.25 0.00 0.00 175.29 177.74 1x3p n PRO 51 N 1.73 0.67 -1.87 2.91 -0.04 -1.26 -4.80 135.00 132.34 1x3p n PRO 51 Ca -0.13 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.19 1x3p n PRO 51 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.04 -1.64 0.00 0.54 1.56 -1.26 -4.73 117.12 110.54 1x3p n MET 52 Ca 0.16 0.83 0.00 0.00 -0.27 0.00 0.00 57.70 58.42 1x3p n MET 52 Cb 0.09 -5.26 0.00 0.00 2.15 0.00 0.00 33.22 30.20 1x3p n MET 52 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1x3p n ASN 53 N -1.23 0.69 0.00 6.12 5.15 -1.26 -4.91 115.26 119.81 1x3p n ASN 53 Ca -0.16 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 1x3p n ASN 53 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1x3p n ASN 53 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04