#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1n n LYS 2 N 0.00 0.06 -2.21 2.12 4.76 -1.26 -5.06 118.16 116.57 2k1n n LYS 2 Ca 0.00 -0.51 -0.32 0.00 -2.87 0.00 0.00 58.31 54.62 2k1n n LYS 2 Cb 0.00 0.42 -0.04 0.00 -1.84 0.00 0.00 35.03 33.57 2k1n n LYS 2 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k1n s SER 3 N -1.36 5.58 0.03 4.39 0.01 -1.26 -4.86 113.70 116.23 2k1n s SER 3 Ca 0.06 -1.11 -0.28 0.00 1.31 0.00 0.00 55.95 55.94 2k1n s SER 3 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.73 2k1n s SER 3 CO 0.04 -2.37 0.64 0.28 0.41 0.00 0.00 173.24 172.24 2k1n s THR 4 N 8.53 0.00 0.00 1.44 -1.32 -1.26 -5.18 115.64 117.86 2k1n s THR 4 Ca 0.63 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 2k1n s THR 4 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2k1n s THR 4 CO -0.01 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 2k1n n GLY 5 N 0.44 4.92 3.70 6.08 0.00 -1.26 -5.13 105.19 113.94 2k1n n GLY 5 Ca -0.18 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 2k1n n GLY 5 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k1n s ILE 6 N 0.27 4.89 -0.38 -0.61 1.01 -1.26 -5.00 121.20 120.12 2k1n s ILE 6 Ca 0.00 1.83 -0.29 0.00 0.00 0.00 0.00 60.65 62.19 2k1n s ILE 6 Cb 0.00 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.27 2k1n s ILE 6 CO 0.00 0.11 1.17 0.68 0.00 0.00 0.00 174.94 176.90 2k1n s VAL 7 N 1.46 4.29 -0.11 2.92 -7.23 -1.26 -5.01 120.40 115.45 2k1n s VAL 7 Ca 0.45 1.41 -0.01 0.00 -1.81 0.00 0.00 61.98 62.02 2k1n s VAL 7 Cb -0.19 -4.42 -0.03 0.00 0.56 0.00 0.00 36.38 32.31 2k1n s VAL 7 CO 0.20 -0.68 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.64 2k1n s ARG 8 N 4.13 3.17 -0.26 4.82 6.06 -1.26 -5.10 118.95 130.52 2k1n s ARG 8 Ca 0.50 -0.56 -0.08 0.00 -2.50 0.00 0.00 55.73 53.09 2k1n s ARG 8 Cb -0.11 -2.71 -0.03 0.00 0.06 0.00 0.00 34.95 32.16 2k1n s ARG 8 CO 0.24 0.44 0.09 0.21 -2.50 0.00 0.00 175.30 173.78 2k1n s LYS 9 N -0.21 3.61 0.00 5.12 2.36 -1.26 -5.08 119.74 124.28 2k1n s LYS 9 Ca 0.03 -0.51 0.00 0.00 -2.55 0.00 0.00 55.97 52.94 2k1n s LYS 9 Cb -0.13 -3.39 0.00 0.00 -1.05 0.00 0.00 37.83 33.26 2k1n s LYS 9 CO 0.03 -0.23 0.00 1.33 1.55 0.00 0.00 175.35 178.03 2k1n n VAL 10 N 4.94 0.00 -2.74 4.02 0.24 -1.26 -4.95 118.33 118.58 2k1n n VAL 10 Ca -0.16 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.74 2k1n n VAL 10 Cb 0.51 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.52 2k1n n VAL 10 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k1n s ASP 11 N 0.22 7.63 0.00 -1.34 2.15 -0.97 -4.92 116.67 119.44 2k1n s ASP 11 Ca 0.00 1.96 0.21 0.00 0.43 0.00 0.00 52.55 55.14 2k1n s ASP 11 Cb 0.00 -2.61 1.16 0.00 -0.30 0.00 0.00 42.92 41.17 2k1n s ASP 11 CO 0.00 0.15 1.63 -1.84 -0.17 0.00 0.00 175.17 174.94 2k1n n GLU 12 N 1.50 0.52 0.00 4.34 0.28 -1.26 -1.92 120.64 124.10 2k1n n GLU 12 Ca -0.02 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2k1n n GLU 12 Cb 0.47 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.84 2k1n n GLU 12 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2k1n n LEU 13 N -1.11 1.33 0.00 -1.84 7.94 -1.26 -5.10 117.00 116.96 2k1n n LEU 13 Ca 0.13 -1.33 0.00 0.00 -1.11 0.00 0.00 56.01 53.71 2k1n n LEU 13 Cb 0.10 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.05 2k1n n LEU 13 CO 0.13 0.33 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 2k1n n GLY 14 N -0.16 0.55 3.27 -3.96 0.00 -0.81 -5.10 105.19 98.98 2k1n n GLY 14 Ca 0.00 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 2k1n n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1n n ARG 15 N 0.00 -1.74 -2.56 1.61 3.00 -1.26 -2.29 116.66 113.41 2k1n n ARG 15 Ca 0.00 1.50 -0.42 0.00 -0.01 0.00 0.00 57.85 58.92 2k1n n ARG 15 Cb 0.00 -2.65 -0.01 0.00 0.00 0.00 0.00 32.46 29.80 2k1n n ARG 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2k1n s VAL 16 N -1.56 4.03 -0.61 1.55 1.01 -1.26 -3.23 120.40 120.33 2k1n s VAL 16 Ca 0.25 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 2k1n s VAL 16 Cb -0.03 -5.13 0.04 0.00 0.00 0.00 0.00 36.38 31.26 2k1n s VAL 16 CO 0.65 -1.98 1.03 0.68 0.00 0.00 0.00 175.10 175.48 2k1n s VAL 17 N 4.63 4.23 0.78 2.92 -7.23 -1.26 -5.02 120.40 119.45 2k1n s VAL 17 Ca 0.51 0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 60.77 2k1n s VAL 17 Cb 0.02 -4.65 0.07 0.00 0.56 0.00 0.00 36.38 32.38 2k1n s VAL 17 CO 0.00 -1.33 1.22 2.30 -0.31 0.00 0.00 175.10 176.98 2k1n n ILE 18 N 6.22 2.53 -1.65 -0.62 -5.35 -1.26 -4.83 119.36 114.39 2k1n n ILE 18 Ca 0.01 -0.25 -0.60 0.00 -0.27 0.00 0.00 62.75 61.65 2k1n n ILE 18 Cb 0.47 -1.25 -0.08 0.00 -1.74 0.00 0.00 39.64 37.05 2k1n n ILE 18 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 2k1n n PRO 19 N -3.06 0.61 -0.02 6.28 -0.02 -1.26 -4.84 135.00 132.69 2k1n n PRO 19 Ca 0.14 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2k1n n PRO 19 Cb 0.50 -1.81 0.31 0.00 -0.02 0.00 0.00 33.50 32.48 2k1n n PRO 19 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2k1n h ILE 20 N 4.32 1.18 0.03 4.25 2.04 -1.99 -1.40 117.51 125.94 2k1n h ILE 20 Ca -0.47 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 64.72 2k1n h ILE 20 Cb 1.36 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2k1n h ILE 20 CO 0.86 0.24 -0.09 1.05 0.00 0.00 0.00 178.15 180.22 2k1n h GLU 21 N 0.55 -0.17 -0.21 2.37 9.09 -2.00 -2.01 114.58 122.20 2k1n h GLU 21 Ca 0.12 0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.43 2k1n h GLU 21 Cb 0.25 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 2k1n h GLU 21 CO 0.00 -0.11 -0.35 1.25 0.05 0.00 0.00 179.01 179.85 2k1n h LEU 22 N -0.17 0.47 -0.35 3.06 5.85 -1.87 -0.22 115.31 122.08 2k1n h LEU 22 Ca 0.02 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2k1n h LEU 22 Cb 0.20 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2k1n h LEU 22 CO -0.07 0.79 0.10 0.03 -0.34 0.00 0.00 178.44 178.95 2k1n h ARG 23 N 0.39 0.22 0.02 1.25 3.08 -0.86 0.81 114.38 119.30 2k1n h ARG 23 Ca 0.04 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.82 2k1n h ARG 23 Cb 0.80 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2k1n h ARG 23 CO 0.06 0.15 -1.37 0.00 -1.07 0.00 0.00 179.97 177.74 2k1n h ARG 24 N 0.23 0.04 -0.13 0.04 3.08 -1.30 -0.44 114.38 115.90 2k1n h ARG 24 Ca 0.16 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2k1n h ARG 24 Cb 0.16 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 2k1n h ARG 24 CO -0.19 0.83 0.01 1.15 -1.07 0.00 0.00 179.97 180.70 2k1n h THR 25 N 0.01 1.23 0.00 2.04 2.02 -0.83 -3.22 112.91 114.17 2k1n h THR 25 Ca -0.16 -0.74 -0.21 0.00 0.77 0.00 0.00 66.41 66.08 2k1n h THR 25 Cb 1.91 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.76 2k1n h THR 25 CO 0.12 0.22 -1.23 0.25 0.37 0.00 0.00 175.52 175.24 2k1n h LEU 26 N -0.02 0.00 -2.76 2.58 6.46 -0.98 -3.49 115.31 117.10 2k1n h LEU 26 Ca 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2k1n h LEU 26 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2k1n h LEU 26 CO 0.00 0.81 0.00 0.61 -0.62 0.00 0.00 178.44 179.24 2k1n n GLY 27 N 1.40 0.86 3.49 3.75 0.00 -0.33 -5.01 105.19 109.35 2k1n n GLY 27 Ca -0.07 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 2k1n n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k1n s ILE 28 N -2.95 4.74 -0.07 -0.61 1.01 -0.33 -5.02 121.20 117.97 2k1n s ILE 28 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 2k1n s ILE 28 Cb 0.00 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2k1n s ILE 28 CO 0.00 -0.83 1.62 0.00 0.00 0.00 0.00 174.94 175.73 2k1n s ALA 29 N 3.02 3.61 -0.82 9.38 0.00 -1.26 -4.90 121.76 130.78 2k1n s ALA 29 Ca 0.21 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.01 2k1n s ALA 29 Cb -0.16 -3.74 0.16 0.00 0.00 0.00 0.00 23.12 19.38 2k1n s ALA 29 CO 0.16 -1.40 2.43 -0.85 0.00 0.00 0.00 175.76 176.10 2k1n n GLU 30 N 7.10 3.41 -0.02 0.00 0.00 -1.26 -4.11 120.64 125.77 2k1n n GLU 30 Ca 0.17 -3.12 0.00 0.00 0.00 0.00 0.00 57.16 54.21 2k1n n GLU 30 Cb 0.43 -2.33 0.00 0.00 0.00 0.00 0.00 31.44 29.54 2k1n n GLU 30 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2k1n n LYS 31 N 0.74 0.56 -0.94 3.44 2.85 -1.26 -5.09 118.16 118.46 2k1n n LYS 31 Ca 0.53 -0.72 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2k1n n LYS 31 Cb 0.38 -0.60 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 2k1n n LYS 31 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k1n n ASP 32 N -0.10 1.36 -4.68 -5.58 5.68 -1.26 -5.14 116.55 106.83 2k1n n ASP 32 Ca 0.00 -0.47 -0.35 0.00 -0.50 0.00 0.00 54.79 53.47 2k1n n ASP 32 Cb 0.46 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.35 2k1n n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k1n s ALA 33 N -2.00 3.38 -0.02 2.12 0.00 -1.26 -5.11 121.76 118.88 2k1n s ALA 33 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2k1n s ALA 33 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2k1n s ALA 33 CO 0.00 0.44 -0.11 -0.51 0.00 0.00 0.00 175.76 175.57 2k1n s LEU 34 N -0.41 2.91 0.11 0.00 1.02 -1.26 -4.79 118.68 116.26 2k1n s LEU 34 Ca 0.09 -0.19 -0.31 0.00 0.02 0.00 0.00 54.13 53.74 2k1n s LEU 34 Cb -0.12 -1.65 -0.07 0.00 0.02 0.00 0.00 46.19 44.37 2k1n s LEU 34 CO 0.02 0.32 1.26 -1.61 0.02 0.00 0.00 176.35 176.35 2k1n s GLU 35 N -1.06 4.41 -0.28 1.70 2.02 0.21 -4.87 118.70 120.83 2k1n s GLU 35 Ca 0.14 1.90 -0.00 0.00 0.02 0.00 0.00 54.97 57.02 2k1n s GLU 35 Cb -0.11 -3.28 0.09 0.00 0.10 0.00 0.00 34.13 30.92 2k1n s GLU 35 CO 0.03 -0.26 0.05 0.42 0.02 0.00 0.00 175.26 175.52 2k1n s ILE 36 N 0.74 1.17 -0.19 -1.63 1.01 -1.25 -1.61 121.20 119.44 2k1n s ILE 36 Ca 0.59 -1.38 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 2k1n s ILE 36 Cb -0.33 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2k1n s ILE 36 CO 0.32 -0.48 0.06 -0.47 0.00 0.00 0.00 174.94 174.37 2k1n s TYR 37 N 1.50 3.23 -0.20 3.97 5.04 -0.70 -4.91 117.35 125.27 2k1n s TYR 37 Ca 0.05 0.03 -0.19 0.00 -2.44 0.00 0.00 57.07 54.52 2k1n s TYR 37 Cb -0.18 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 2k1n s TYR 37 CO -0.16 0.11 0.55 0.08 -1.34 0.00 0.00 175.55 174.79 2k1n s VAL 38 N 0.46 5.08 -0.46 3.14 1.01 -1.26 -0.37 120.40 128.00 2k1n s VAL 38 Ca 0.03 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.05 2k1n s VAL 38 Cb -0.13 -3.87 0.13 0.00 0.00 0.00 0.00 36.38 32.52 2k1n s VAL 38 CO 0.01 0.16 0.25 -0.62 0.00 0.00 0.00 175.10 174.89 2k1n s ASP 39 N 1.17 3.83 0.00 3.32 2.15 0.17 -5.00 116.67 122.30 2k1n s ASP 39 Ca 0.25 -2.75 0.00 0.00 0.43 0.00 0.00 52.55 50.49 2k1n s ASP 39 Cb -0.16 -1.20 0.00 0.00 -0.30 0.00 0.00 42.92 41.27 2k1n s ASP 39 CO 0.10 -0.25 0.00 -0.67 -0.17 0.00 0.00 175.17 174.17 2k1n n ASP 40 N 3.40 0.00 0.00 -0.34 -0.08 -1.26 -1.12 116.55 117.15 2k1n n ASP 40 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2k1n n ASP 40 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 2k1n n ASP 40 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2k1n n GLU 41 N 0.00 1.05 -4.33 -0.67 -0.00 -1.26 -5.05 120.64 110.38 2k1n n GLU 41 Ca 0.00 -0.84 -0.25 0.00 -0.00 0.00 0.00 57.16 56.07 2k1n n GLU 41 Cb 0.00 -0.77 -0.12 0.00 -0.00 0.00 0.00 31.44 30.55 2k1n n GLU 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2k1n s LYS 42 N -0.40 1.25 -0.09 3.44 -2.85 -0.28 -5.14 119.74 115.68 2k1n s LYS 42 Ca 0.00 -1.28 0.03 0.00 -1.00 0.00 0.00 55.97 53.72 2k1n s LYS 42 Cb 0.00 -1.55 0.01 0.00 -2.06 0.00 0.00 37.83 34.23 2k1n s LYS 42 CO 0.00 0.35 -0.18 0.96 0.10 0.00 0.00 175.35 176.58 2k1n s ILE 43 N -1.32 1.61 -0.44 3.79 -4.36 -1.26 0.43 121.20 119.65 2k1n s ILE 43 Ca 0.11 -0.75 -0.21 0.00 -0.26 0.00 0.00 60.65 59.54 2k1n s ILE 43 Cb -0.09 -1.42 0.02 0.00 1.25 0.00 0.00 42.46 42.22 2k1n s ILE 43 CO 0.06 0.46 0.65 -0.63 0.24 0.00 0.00 174.94 175.72 2k1n s ILE 44 N 0.57 4.82 -0.26 8.37 1.01 0.50 -4.90 121.20 131.31 2k1n s ILE 44 Ca -0.15 0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 2k1n s ILE 44 Cb -0.17 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2k1n s ILE 44 CO 0.05 -0.60 0.14 -0.76 0.00 0.00 0.00 174.94 173.77 2k1n s LEU 45 N 2.85 3.80 0.33 2.97 1.02 -1.26 -1.72 118.68 126.67 2k1n s LEU 45 Ca 0.23 -0.07 -0.15 0.00 0.02 0.00 0.00 54.13 54.15 2k1n s LEU 45 Cb -0.14 -2.04 0.03 0.00 0.02 0.00 0.00 46.19 44.06 2k1n s LEU 45 CO 0.19 -0.03 0.70 -1.59 0.02 0.00 0.00 176.35 175.64 2k1n s LYS 46 N 1.61 1.99 0.55 1.70 -2.85 -0.63 -4.98 119.74 117.13 2k1n s LYS 46 Ca 0.07 -1.33 0.09 0.00 -1.00 0.00 0.00 55.97 53.80 2k1n s LYS 46 Cb -0.15 0.58 0.07 0.00 -2.06 0.00 0.00 37.83 36.27 2k1n s LYS 46 CO 0.07 -0.91 0.72 0.15 0.10 0.00 0.00 175.35 175.49 2k1n s LYS 47 N -3.05 2.35 0.23 1.78 1.02 -1.26 0.66 119.74 121.46 2k1n s LYS 47 Ca 0.17 -1.65 -0.07 0.00 0.02 0.00 0.00 55.97 54.43 2k1n s LYS 47 Cb -0.04 -2.59 0.27 0.00 -0.52 0.00 0.00 37.83 34.96 2k1n s LYS 47 CO 0.11 -0.77 1.85 1.88 -0.92 0.00 0.00 175.35 177.50 2k1n h TYR 48 N 0.30 0.92 -1.00 3.18 0.05 -1.99 -3.39 116.97 115.05 2k1n h TYR 48 Ca -0.32 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.35 2k1n h TYR 48 Cb 1.29 -0.30 -0.16 0.00 1.01 0.00 0.00 36.73 38.57 2k1n h TYR 48 CO 0.50 0.49 -0.48 0.21 -1.05 0.00 0.00 178.16 177.83 2k1n s LYS 49 N -6.09 1.04 0.00 4.88 2.47 -1.26 -5.00 119.74 115.79 2k1n s LYS 49 Ca -0.13 -0.95 0.30 0.00 -1.56 0.00 0.00 55.97 53.64 2k1n s LYS 49 Cb 0.17 -0.03 1.42 0.00 -1.46 0.00 0.00 37.83 37.94 2k1n s LYS 49 CO 0.78 -1.31 2.01 -0.35 0.16 0.00 0.00 175.35 176.65 2k1n n PRO 50 N 3.16 0.28 -0.58 4.03 -0.05 -1.26 -3.03 135.00 137.55 2k1n n PRO 50 Ca 0.17 -0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.71 2k1n n PRO 50 Cb 0.56 -1.50 0.34 0.00 -0.05 0.00 0.00 33.50 32.85 2k1n n PRO 50 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 2k1n n ASN 51 N -1.36 4.51 -2.06 3.54 5.15 -1.26 -4.11 115.26 119.68 2k1n n ASN 51 Ca 0.12 -2.42 -0.02 0.00 -0.60 0.00 0.00 54.58 51.66 2k1n n ASN 51 Cb 0.28 -0.56 0.04 0.00 -0.53 0.00 0.00 39.78 39.00 2k1n n ASN 51 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2k1n n MET 52 N 1.06 0.84 -0.03 1.20 1.56 -1.17 -4.78 117.12 115.80 2k1n n MET 52 Ca 0.24 -1.89 -0.06 0.00 -0.27 0.00 0.00 57.70 55.72 2k1n n MET 52 Cb 0.85 -0.15 -0.02 0.00 2.15 0.00 0.00 33.22 36.05 2k1n n MET 52 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 2k1n n THR 53 N -0.51 1.34 0.99 1.12 -1.04 -1.25 -4.73 114.28 110.20 2k1n n THR 53 Ca -0.09 0.22 0.11 0.00 -2.04 0.00 0.00 64.05 62.24 2k1n n THR 53 Cb 0.87 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 67.38 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43