#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 0.00 -4.47 0.00 3.14 -1.26 -5.16 118.33 110.57 1x3p n VAL 2 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 1x3p n VAL 2 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1x3p n VAL 2 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x3p s ALA 3 N -2.00 3.15 0.10 1.55 0.00 -1.26 -5.00 121.76 118.30 1x3p s ALA 3 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1x3p s ALA 3 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1x3p s ALA 3 CO 0.00 0.59 0.00 0.39 0.00 0.00 0.00 175.76 176.74 1x3p n GLU 4 N 2.09 0.00 -4.29 0.00 -0.58 -1.26 -5.05 120.64 111.54 1x3p n GLU 4 Ca -0.18 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.32 1x3p n GLU 4 Cb 0.53 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.28 1x3p n GLU 4 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1x3p s SER 5 N -4.22 2.57 -0.32 1.62 0.01 -1.26 -4.82 113.70 107.29 1x3p s SER 5 Ca 0.00 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.58 1x3p s SER 5 Cb 0.00 -0.14 0.15 0.00 0.21 0.00 0.00 66.02 66.24 1x3p s SER 5 CO 0.00 0.05 0.39 0.68 0.41 0.00 0.00 173.24 174.77 1x3p s VAL 6 N -1.24 -0.52 -0.46 3.43 -7.23 -1.23 -3.23 120.40 109.91 1x3p s VAL 6 Ca 0.07 -0.51 0.07 0.00 -1.81 0.00 0.00 61.98 59.80 1x3p s VAL 6 Cb -0.10 -0.85 0.23 0.00 0.56 0.00 0.00 36.38 36.22 1x3p s VAL 6 CO 0.04 -0.39 0.70 -0.38 -0.31 0.00 0.00 175.10 174.77 1x3p n ILE 7 N 5.00 -0.32 -3.41 -0.62 5.41 -1.26 -4.93 119.36 119.22 1x3p n ILE 7 Ca 0.03 -2.33 -0.12 0.00 1.00 0.00 0.00 62.75 61.33 1x3p n ILE 7 Cb 0.48 0.11 -0.10 0.00 -0.71 0.00 0.00 39.64 39.42 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 -0.97 -0.26 0.14 7.39 0.00 -0.20 -4.74 107.32 108.68 1x3p s GLY 8 Ca 0.33 0.70 -0.04 0.00 0.00 0.00 0.00 44.72 45.71 1x3p s GLY 8 CO -0.17 2.47 0.13 0.54 0.00 0.00 0.00 173.10 176.06 1x3p s LYS 9 N 2.47 0.99 0.00 2.90 1.02 -1.26 0.16 119.74 126.02 1x3p s LYS 9 Ca 0.10 -1.33 0.19 0.00 0.02 0.00 0.00 55.97 54.95 1x3p s LYS 9 Cb -0.15 0.29 0.78 0.00 -0.52 0.00 0.00 37.83 38.22 1x3p s LYS 9 CO -0.14 -0.31 1.55 0.54 -0.92 0.00 0.00 175.35 176.06 1x3p n ARG 10 N -0.13 1.54 0.00 1.68 5.12 0.22 -4.87 116.66 120.22 1x3p n ARG 10 Ca -0.07 -0.81 0.00 0.00 -1.93 0.00 0.00 57.85 55.05 1x3p n ARG 10 Cb 0.63 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 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 0.04 0.00 -3.04 1.55 0.31 -1.26 -4.66 118.33 111.26 1x3p n VAL 11 Ca 0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.38 1x3p n VAL 11 Cb 0.25 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.21 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 1.98 2.60 2.92 0.00 -1.26 -4.96 105.19 106.48 1x3p n GLY 12 Ca 0.00 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.64 7.22 0.00 1.61 9.92 -1.26 -4.45 116.55 126.95 1x3p n ASP 13 Ca 0.08 -3.81 0.00 0.00 -0.53 0.00 0.00 54.79 50.53 1x3p n ASP 13 Cb 0.30 -0.94 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 1x3p n ASP 13 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1x3p n ASP 14 N -0.69 0.00 -1.15 -2.24 2.03 -1.26 -5.00 116.55 108.24 1x3p n ASP 14 Ca 0.56 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.84 1x3p n ASP 14 Cb 0.47 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 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 3.98 0.72 2.52 0.27 0.00 -1.26 -4.96 105.19 106.46 1x3p n GLY 15 Ca 0.00 -0.33 -0.13 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 0.94 -2.24 1.61 4.76 -1.26 -5.14 118.16 117.02 1x3p n LYS 16 Ca -0.13 -2.46 -0.25 0.00 -2.87 0.00 0.00 58.31 52.60 1x3p n LYS 16 Cb 0.86 -1.31 0.07 0.00 -1.84 0.00 0.00 35.03 32.81 1x3p n LYS 16 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1x3p s THR 17 N -0.62 2.30 0.14 -0.18 -1.32 -1.26 -4.37 115.64 110.32 1x3p s THR 17 Ca 0.30 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1x3p s THR 17 Cb 0.29 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 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 -2.88 0.05 -3.65 5.08 5.41 -1.26 -4.92 119.36 117.19 1x3p n ILE 18 Ca 0.08 0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.74 1x3p n ILE 18 Cb 0.60 -0.59 -0.05 0.00 -0.71 0.00 0.00 39.64 38.89 1x3p n ILE 18 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1x3p s GLU 19 N -2.00 1.00 0.13 0.38 2.12 -1.26 -4.87 118.70 114.19 1x3p s GLU 19 Ca 0.00 -0.54 -0.24 0.00 0.36 0.00 0.00 54.97 54.55 1x3p s GLU 19 Cb 0.00 0.44 -0.07 0.00 0.26 0.00 0.00 34.13 34.76 1x3p s GLU 19 CO 0.00 -0.37 0.72 1.52 -0.54 0.00 0.00 175.26 176.59 1x3p s TYR 20 N -3.17 3.86 -0.23 5.30 -0.85 -1.26 0.70 117.35 121.70 1x3p s TYR 20 Ca -0.01 1.52 -0.05 0.00 -0.52 0.00 0.00 57.07 58.01 1x3p s TYR 20 Cb 0.01 -2.71 0.12 0.00 0.38 0.00 0.00 41.96 39.76 1x3p s TYR 20 CO -0.07 0.50 0.42 -0.51 -1.52 0.00 0.00 175.55 174.37 1x3p s LEU 21 N -0.99 -0.72 -0.33 -3.49 1.02 0.42 -4.52 118.68 110.07 1x3p s LEU 21 Ca 0.34 0.68 -0.11 0.00 0.02 0.00 0.00 54.13 55.07 1x3p s LEU 21 Cb -0.22 1.35 -0.01 0.00 0.02 0.00 0.00 46.19 47.34 1x3p s LEU 21 CO 0.24 -0.26 0.18 -0.69 0.02 0.00 0.00 176.35 175.84 1x3p s VAL 22 N 2.62 4.80 -0.32 -1.59 1.01 -1.03 -1.03 120.40 124.86 1x3p s VAL 22 Ca 0.06 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1x3p s VAL 22 Cb -0.14 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1x3p s VAL 22 CO -0.15 0.01 0.01 -0.54 0.00 0.00 0.00 175.10 174.43 1x3p s LYS 23 N 1.64 2.07 0.10 2.72 3.01 -1.26 0.12 119.74 128.14 1x3p s LYS 23 Ca 0.05 -1.53 -0.02 0.00 -1.01 0.00 0.00 55.97 53.46 1x3p s LYS 23 Cb -0.17 -3.17 0.02 0.00 -1.01 0.00 0.00 37.83 33.50 1x3p s LYS 23 CO 0.08 -0.76 0.05 0.91 0.51 0.00 0.00 175.35 176.14 1x3p n TRP 24 N 4.47 -1.55 -0.88 3.18 5.03 -1.20 -3.57 117.44 122.92 1x3p n TRP 24 Ca -0.07 -0.03 -0.17 0.00 3.03 0.00 0.00 57.50 60.25 1x3p n TRP 24 Cb 0.42 -0.11 0.04 0.00 -1.03 0.00 0.00 31.31 30.63 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 -2.91 2.78 -1.97 -0.99 5.66 -1.26 -3.66 114.28 111.94 1x3p n THR 25 Ca 0.01 -1.67 0.00 0.00 -3.05 0.00 0.00 64.05 59.34 1x3p n THR 25 Cb 0.04 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 67.51 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 0.29 0.00 -3.61 1.09 -0.08 -1.26 -4.98 116.55 108.00 1x3p n ASP 26 Ca 0.31 -1.37 -0.24 0.00 -1.51 0.00 0.00 54.79 51.97 1x3p n ASP 26 Cb 0.60 -0.07 0.01 0.00 2.34 0.00 0.00 41.12 43.99 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 0.00 -1.65 0.00 -0.67 2.81 -1.24 -4.92 117.12 111.45 1x3p n MET 27 Ca 0.00 1.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.94 1x3p n MET 27 Cb 0.57 -2.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.32 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 -1.87 0.13 -3.07 7.83 7.64 -1.26 -5.05 113.62 117.97 1x3p n SER 28 Ca -0.21 -1.05 -0.00 0.00 1.01 0.00 0.00 58.87 58.62 1x3p n SER 28 Cb 0.66 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.02 -6.69 0.00 6.43 2.03 -1.26 -4.98 116.55 112.06 1x3p n ASP 29 Ca 0.00 0.77 0.00 0.00 0.52 0.00 0.00 54.79 56.08 1x3p n ASP 29 Cb 0.36 -2.09 0.00 0.00 -0.72 0.00 0.00 41.12 38.66 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 1.79 0.00 -1.52 -1.67 0.00 0.12 -4.99 120.51 114.25 1x3p n ALA 30 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1x3p n ALA 30 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1x3p n ALA 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x3p n THR 31 N 0.00 0.00 -3.71 0.00 -2.24 -1.25 -4.85 114.28 102.22 1x3p n THR 31 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1x3p n THR 31 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1x3p n THR 31 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1x3p s TRP 32 N 1.91 -0.32 0.00 4.78 0.52 -1.26 -2.47 118.94 122.10 1x3p s TRP 32 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 56.10 56.70 1x3p s TRP 32 Cb 0.00 0.16 0.00 0.00 -1.15 0.00 0.00 33.47 32.48 1x3p s TRP 32 CO 0.00 -0.39 0.00 0.39 0.02 0.00 0.00 176.95 176.97 1x3p n GLU 33 N 1.52 0.00 0.00 4.98 1.02 -1.23 -4.50 120.64 122.43 1x3p n GLU 33 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1x3p n GLU 33 Cb 0.56 -0.07 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 -0.33 0.00 -0.36 3.49 -0.02 -1.21 -1.47 135.00 135.11 1x3p n PRO 34 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1x3p n PRO 34 Cb 0.00 -0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 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 0.86 -3.28 -0.52 7.27 -1.26 -4.06 117.38 116.39 1x3p n GLN 35 Ca 0.00 -0.61 -0.07 0.00 0.07 0.00 0.00 57.00 56.39 1x3p n GLN 35 Cb 0.00 -1.89 -0.05 0.00 2.41 0.00 0.00 30.24 30.71 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 3.23 0.05 -0.46 1.69 1.11 -0.54 -4.92 116.67 116.83 1x3p s ASP 36 Ca 0.22 -0.40 -0.01 0.00 0.18 0.00 0.00 52.55 52.55 1x3p s ASP 36 Cb 0.09 1.25 0.36 0.00 1.07 0.00 0.00 42.92 45.69 1x3p s ASP 36 CO -0.01 -0.33 1.96 -3.20 1.18 0.00 0.00 175.17 174.77 1x3p n ASN 37 N 5.25 6.40 -4.76 0.27 2.85 -1.26 -4.14 115.26 119.87 1x3p n ASN 37 Ca 0.02 -3.38 -0.40 0.00 -0.11 0.00 0.00 54.58 50.72 1x3p n ASN 37 Cb 0.50 -0.97 -0.05 0.00 1.24 0.00 0.00 39.78 40.51 1x3p n ASN 37 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1x3p s VAL 38 N -3.35 3.73 0.00 3.44 1.01 -1.26 -3.92 120.40 120.06 1x3p s VAL 38 Ca 0.47 1.68 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1x3p s VAL 38 Cb 0.37 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1x3p s VAL 38 CO 0.01 0.35 0.00 -0.67 0.00 0.00 0.00 175.10 174.79 1x3p n ASP 39 N 1.12 0.00 0.00 3.32 -0.08 -1.26 -4.22 116.55 115.43 1x3p n ASP 39 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1x3p n ASP 39 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1x3p n ASP 39 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1x3p n SER 40 N 3.58 -2.28 0.03 1.67 2.88 -1.25 -4.90 113.62 113.35 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 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1x3p n SER 40 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1x3p n THR 41 N -2.76 0.71 -0.00 2.46 5.66 -1.26 -4.59 114.28 114.49 1x3p n THR 41 Ca 0.00 0.23 -0.03 0.00 -3.05 0.00 0.00 64.05 61.20 1x3p n THR 41 Cb 0.00 -1.48 -0.11 0.00 -1.55 0.00 0.00 70.33 67.18 1x3p n THR 41 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1x3p n LEU 42 N -3.29 0.72 -0.05 1.09 4.77 -1.26 -4.26 117.00 114.71 1x3p n LEU 42 Ca 0.00 0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 56.27 1x3p n LEU 42 Cb 0.18 0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1x3p n LEU 42 CO 0.00 0.26 -0.27 0.52 -1.33 0.00 0.00 177.39 176.57 1x3p n VAL 43 N -2.89 1.10 -0.45 4.08 0.31 -1.26 -4.16 118.33 115.05 1x3p n VAL 43 Ca -0.15 0.28 0.34 0.00 -0.01 0.00 0.00 64.34 64.81 1x3p n VAL 43 Cb 0.93 -2.19 0.53 0.00 -0.91 0.00 0.00 33.84 32.20 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 -4.08 0.02 0.22 7.52 7.94 -1.26 0.81 117.00 128.17 1x3p n LEU 44 Ca -0.06 0.69 -0.09 0.00 -1.11 0.00 0.00 56.01 55.44 1x3p n LEU 44 Cb 0.21 -0.34 -0.04 0.00 0.53 0.00 0.00 43.42 43.77 1x3p n LEU 44 CO 0.08 -0.70 0.31 -0.07 -1.11 0.00 0.00 177.39 175.91 1x3p h LEU 45 N 0.00 -0.51 -1.05 -1.96 3.38 -1.74 1.56 115.31 114.99 1x3p h LEU 45 Ca 0.61 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1x3p h LEU 45 Cb 2.40 0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.28 1x3p h LEU 45 CO -0.05 -0.20 0.00 -1.22 0.09 0.00 0.00 178.44 177.06 1x3p n TYR 46 N -4.47 0.78 0.84 1.13 4.02 0.17 0.02 117.16 119.65 1x3p n TYR 46 Ca -0.07 0.35 0.11 0.00 -0.01 0.00 0.00 57.90 58.28 1x3p n TYR 46 Cb 0.24 -1.06 0.13 0.00 -0.02 0.00 0.00 39.34 38.62 1x3p n TYR 46 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1x3p n GLN 47 N -2.25 0.10 -0.20 -0.72 0.00 0.24 -3.29 117.38 111.26 1x3p n GLN 47 Ca 0.00 0.01 0.24 0.00 -0.00 0.00 0.00 57.00 57.25 1x3p n GLN 47 Cb 0.14 -1.54 0.63 0.00 0.00 0.00 0.00 30.24 29.46 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 0.00 0.18 0.61 3.69 3.07 0.61 1.50 115.11 124.76 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 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 1x3p h GLN 48 CO 0.00 0.12 -0.40 1.96 0.09 0.00 0.00 178.83 180.60 1x3p h GLN 49 N 0.18 -0.92 -5.20 0.06 1.08 -1.67 -3.40 115.11 105.24 1x3p h GLN 49 Ca 0.44 0.06 -0.65 0.00 -1.45 0.00 0.00 58.65 57.05 1x3p h GLN 49 Cb 1.43 0.21 -0.16 0.00 -0.05 0.00 0.00 27.48 28.91 1x3p h GLN 49 CO -0.09 -0.62 -0.06 -0.65 -0.95 0.00 0.00 178.83 176.47 1x3p s GLN 50 N -5.99 3.50 0.46 1.46 -1.52 0.51 -4.88 119.66 113.20 1x3p s GLN 50 Ca -0.18 -0.28 0.21 0.00 -1.95 0.00 0.00 55.36 53.16 1x3p s GLN 50 Cb 0.04 -3.85 1.16 0.00 -0.22 0.00 0.00 33.01 30.15 1x3p s GLN 50 CO 0.62 -0.72 1.61 -1.35 -0.25 0.00 0.00 175.29 175.20 1x3p h PRO 51 N 8.55 0.00 0.00 2.91 0.11 -1.79 -3.44 132.00 138.34 1x3p h PRO 51 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1x3p h PRO 51 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x3p h PRO 51 CO 0.79 0.00 0.00 -0.12 -0.21 0.00 0.00 178.00 178.46 1x3p n MET 52 N -2.42 0.00 0.00 1.05 1.56 -1.26 -4.90 117.12 111.15 1x3p n MET 52 Ca -0.01 0.27 0.00 0.00 -0.27 0.00 0.00 57.70 57.69 1x3p n MET 52 Cb 0.30 -2.75 0.00 0.00 2.15 0.00 0.00 33.22 32.92 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 1.09 4.96 0.00 6.12 0.23 -1.26 -4.94 115.26 121.46 1x3p n ASN 53 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1x3p n ASN 53 Cb 0.00 0.79 0.00 0.00 -2.08 0.00 0.00 39.78 38.49 1x3p n ASN 53 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71