#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x51 n SER 2 N 0.00 1.57 -4.64 1.61 3.41 -1.26 -5.01 113.62 109.31 1x51 n SER 2 Ca 0.00 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.45 1x51 n SER 2 Cb 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1x51 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x51 n SER 3 N -4.06 1.86 -0.01 4.04 3.41 -1.26 -4.95 113.62 112.65 1x51 n SER 3 Ca -0.20 1.12 -0.03 0.00 -0.26 0.00 0.00 58.87 59.50 1x51 n SER 3 Cb 0.51 -1.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.05 1x51 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x51 n GLY 4 N 1.03 -0.24 3.93 5.00 0.00 -1.26 -4.98 105.19 108.68 1x51 n GLY 4 Ca 0.08 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1x51 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x51 n SER 5 N -3.83 -1.57 -4.54 1.61 3.41 -1.26 -4.83 113.62 102.60 1x51 n SER 5 Ca -0.05 -0.76 -0.43 0.00 -0.26 0.00 0.00 58.87 57.37 1x51 n SER 5 Cb 0.20 -1.41 -0.06 0.00 -0.26 0.00 0.00 64.21 62.69 1x51 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x51 s SER 6 N -2.86 6.41 0.00 4.04 0.01 -1.26 -4.53 113.70 115.51 1x51 s SER 6 Ca 0.60 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1x51 s SER 6 Cb -0.35 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1x51 s SER 6 CO 0.74 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1x51 n GLY 7 N 4.92 0.55 0.00 3.44 0.00 -1.26 -4.76 105.19 108.08 1x51 n GLY 7 Ca 0.02 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.34 1x51 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x51 n PRO 8 N 0.00 0.49 -2.13 1.61 -0.04 -1.26 -3.78 135.00 129.89 1x51 n PRO 8 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1x51 n PRO 8 Cb 0.00 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.10 1x51 n PRO 8 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x51 n ARG 9 N -0.88 3.89 -0.65 0.54 1.74 -1.26 -3.46 116.66 116.58 1x51 n ARG 9 Ca 0.09 -3.77 -0.16 0.00 -0.77 0.00 0.00 57.85 53.24 1x51 n ARG 9 Cb 0.04 -2.37 0.13 0.00 -1.02 0.00 0.00 32.46 29.24 1x51 n ARG 9 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1x51 n LYS 10 N 0.09 -1.82 -0.27 5.56 2.85 -1.25 -4.71 118.16 118.61 1x51 n LYS 10 Ca 0.52 -0.96 0.02 0.00 -1.05 0.00 0.00 58.31 56.84 1x51 n LYS 10 Cb 0.29 -0.83 0.07 0.00 -0.65 0.00 0.00 35.03 33.90 1x51 n LYS 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x51 n ALA 11 N -3.87 0.05 -3.79 0.58 0.00 -1.26 -3.17 120.51 109.05 1x51 n ALA 11 Ca -0.11 0.76 -0.35 0.00 0.00 0.00 0.00 53.44 53.74 1x51 n ALA 11 Cb 0.31 -0.41 -0.12 0.00 0.00 0.00 0.00 19.45 19.23 1x51 n ALA 11 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x51 s SER 12 N -5.22 5.13 0.23 0.00 1.04 -1.26 -5.08 113.70 108.54 1x51 s SER 12 Ca -0.10 -1.95 -0.17 0.00 0.48 0.00 0.00 55.95 54.21 1x51 s SER 12 Cb 0.17 -1.78 -0.11 0.00 0.10 0.00 0.00 66.02 64.40 1x51 s SER 12 CO 0.54 -0.48 0.17 -2.11 0.98 0.00 0.00 173.24 172.35 1x51 n ARG 13 N 4.54 0.00 -3.77 4.02 1.85 -1.19 -4.98 116.66 117.14 1x51 n ARG 13 Ca -0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.71 1x51 n ARG 13 Cb 0.42 -0.70 -0.07 0.00 -1.05 0.00 0.00 32.46 31.06 1x51 n ARG 13 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1x51 s LYS 14 N -0.70 0.82 0.61 2.89 -0.14 -1.22 -4.98 119.74 117.02 1x51 s LYS 14 Ca 0.43 -0.59 -0.17 0.00 -1.36 0.00 0.00 55.97 54.27 1x51 s LYS 14 Cb -0.52 0.35 -0.03 0.00 -1.68 0.00 0.00 37.83 35.96 1x51 s LYS 14 CO 0.42 -0.27 1.12 -1.25 -0.76 0.00 0.00 175.35 174.61 1x51 s PRO 15 N -2.82 3.04 0.41 -1.68 0.04 -1.26 -4.84 135.00 127.89 1x51 s PRO 15 Ca -0.03 1.48 0.20 0.00 0.04 0.00 0.00 61.00 62.69 1x51 s PRO 15 Cb 0.00 -1.97 0.86 0.00 0.04 0.00 0.00 34.50 33.43 1x51 s PRO 15 CO -0.05 -1.08 1.83 -1.00 0.04 0.00 0.00 177.00 176.74 1x51 h PRO 16 N 0.53 0.00 0.00 0.56 0.13 -1.96 -3.35 132.00 127.91 1x51 h PRO 16 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x51 h PRO 16 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x51 h PRO 16 CO 0.55 0.31 0.00 0.54 -0.23 0.00 0.00 178.00 179.18 1x51 n ARG 17 N -3.64 0.00 -2.91 0.86 1.74 -1.26 -3.89 116.66 107.55 1x51 n ARG 17 Ca -0.01 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1x51 n ARG 17 Cb 0.43 -0.86 -0.04 0.00 -1.02 0.00 0.00 32.46 30.96 1x51 n ARG 17 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1x51 s GLU 18 N -2.19 4.11 -0.22 5.56 2.56 -1.26 -0.75 118.70 126.52 1x51 s GLU 18 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 54.97 55.75 1x51 s GLU 18 Cb 0.00 -3.67 0.11 0.00 2.00 0.00 0.00 34.13 32.57 1x51 s GLU 18 CO 0.00 -0.57 0.34 -1.21 -0.56 0.00 0.00 175.26 173.25 1x51 s GLU 19 N 2.89 0.29 -0.06 4.30 0.41 -1.14 -4.92 118.70 120.47 1x51 s GLU 19 Ca 0.34 0.55 0.04 0.00 -0.41 0.00 0.00 54.97 55.49 1x51 s GLU 19 Cb -0.15 -0.48 -0.02 0.00 -1.78 0.00 0.00 34.13 31.70 1x51 s GLU 19 CO 0.09 -0.55 -0.17 -1.12 -0.49 0.00 0.00 175.26 173.02 1x51 s SER 20 N 2.49 3.75 0.06 -0.19 0.01 -1.26 -0.79 113.70 117.77 1x51 s SER 20 Ca 0.08 -0.30 -0.19 0.00 1.31 0.00 0.00 55.95 56.85 1x51 s SER 20 Cb -0.15 -0.93 0.04 0.00 0.21 0.00 0.00 66.02 65.19 1x51 s SER 20 CO -0.14 0.29 0.45 -0.44 0.41 0.00 0.00 173.24 173.81 1x51 s SER 21 N -0.42 -0.33 -0.26 2.44 0.01 -0.05 -2.96 113.70 112.13 1x51 s SER 21 Ca 0.05 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.33 1x51 s SER 21 Cb -0.12 0.46 0.05 0.00 0.21 0.00 0.00 66.02 66.61 1x51 s SER 21 CO 0.02 -0.71 -0.09 0.00 0.41 0.00 0.00 173.24 172.87 1x51 s ALA 22 N -2.65 2.62 -0.07 1.44 0.00 -0.65 -1.48 121.76 120.96 1x51 s ALA 22 Ca -0.04 -1.64 -0.03 0.00 0.00 0.00 0.00 51.96 50.25 1x51 s ALA 22 Cb -0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1x51 s ALA 22 CO -0.04 -1.03 0.07 -0.08 0.00 0.00 0.00 175.76 174.69 1x51 s THR 23 N 1.20 4.84 0.20 0.00 -1.32 -0.68 -1.80 115.64 118.08 1x51 s THR 23 Ca -0.05 -0.15 0.08 0.00 -1.21 0.00 0.00 61.69 60.37 1x51 s THR 23 Cb -0.18 -3.12 -0.05 0.00 -1.51 0.00 0.00 72.50 67.64 1x51 s THR 23 CO -0.05 0.53 -0.16 0.00 -2.21 0.00 0.00 174.62 172.73 1x51 s VAL 25 N -2.68 3.16 -0.24 0.00 1.01 0.11 -4.45 120.40 117.30 1x51 s VAL 25 Ca 0.21 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1x51 s VAL 25 Cb -0.03 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1x51 s VAL 25 CO 0.07 0.48 0.02 -0.22 0.00 0.00 0.00 175.10 175.45 1x51 s LEU 26 N 0.94 3.25 0.07 3.92 2.96 -1.25 -0.52 118.68 128.05 1x51 s LEU 26 Ca -0.02 -0.40 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 1x51 s LEU 26 Cb -0.15 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1x51 s LEU 26 CO -0.00 -0.06 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.08 1x51 s GLU 27 N 1.52 1.13 0.02 1.98 2.12 -0.45 -1.51 118.70 123.52 1x51 s GLU 27 Ca 0.05 -0.98 0.01 0.00 0.36 0.00 0.00 54.97 54.41 1x51 s GLU 27 Cb -0.15 -1.27 -0.02 0.00 0.26 0.00 0.00 34.13 32.95 1x51 s GLU 27 CO -0.00 0.31 -0.04 1.14 -0.54 0.00 0.00 175.26 176.12 1x51 s GLN 28 N -1.50 0.36 -0.17 4.30 -2.07 -0.83 -1.47 119.66 118.29 1x51 s GLN 28 Ca 0.05 -0.62 -0.29 0.00 -1.82 0.00 0.00 55.36 52.68 1x51 s GLN 28 Cb -0.09 -0.02 -0.03 0.00 -1.09 0.00 0.00 33.01 31.78 1x51 s GLN 28 CO 0.03 -0.02 1.57 -1.25 -1.32 0.00 0.00 175.29 174.30 1x51 s PRO 29 N -1.40 3.97 0.00 9.60 0.04 -1.26 -2.70 135.00 143.24 1x51 s PRO 29 Ca -0.13 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1x51 s PRO 29 Cb -0.09 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1x51 s PRO 29 CO -0.01 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1x51 n GLY 30 N 4.36 3.88 0.04 0.56 0.00 -0.88 -4.99 105.19 108.15 1x51 n GLY 30 Ca 0.18 -2.04 -0.00 0.00 0.00 0.00 0.00 46.02 44.15 1x51 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 h ALA 31 N -0.29 0.00 -0.38 4.61 0.00 -1.98 -3.38 119.26 117.84 1x51 h ALA 31 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x51 h ALA 31 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1x51 h ALA 31 CO 0.00 0.03 0.21 -0.07 0.00 0.00 0.00 179.25 179.42 1x51 h LEU 32 N -0.78 0.47 0.00 0.00 3.38 -2.02 -3.47 115.31 112.90 1x51 h LEU 32 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1x51 h LEU 32 Cb 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1x51 h LEU 32 CO 0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1x51 n GLY 33 N -1.00 -1.84 3.39 0.83 0.00 -1.26 -5.17 105.19 100.13 1x51 n GLY 33 Ca -0.00 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 1x51 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 s ALA 34 N -1.00 -1.34 0.04 4.61 0.00 -1.26 -2.07 121.76 120.73 1x51 s ALA 34 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1x51 s ALA 34 Cb 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1x51 s ALA 34 CO 0.00 -0.57 -0.04 -0.65 0.00 0.00 0.00 175.76 174.50 1x51 s GLN 35 N -2.81 0.46 0.46 0.00 -0.21 -1.10 -4.26 119.66 112.21 1x51 s GLN 35 Ca -0.03 -0.85 0.06 0.00 0.02 0.00 0.00 55.36 54.56 1x51 s GLN 35 Cb -0.00 0.05 -0.02 0.00 1.00 0.00 0.00 33.01 34.04 1x51 s GLN 35 CO -0.05 -0.05 0.26 0.96 -2.12 0.00 0.00 175.29 174.29 1x51 s ILE 36 N -2.27 2.08 -0.15 1.08 -4.36 0.55 -1.96 121.20 116.18 1x51 s ILE 36 Ca -0.07 -1.61 -0.06 0.00 -0.26 0.00 0.00 60.65 58.65 1x51 s ILE 36 Cb -0.04 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 1x51 s ILE 36 CO -0.03 0.00 0.06 -0.22 0.24 0.00 0.00 174.94 174.98 1x51 s LEU 37 N -4.04 3.85 -0.06 0.37 2.96 -0.57 -2.86 118.68 118.33 1x51 s LEU 37 Ca 0.37 0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1x51 s LEU 37 Cb 0.01 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1x51 s LEU 37 CO 0.21 0.27 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.27 1x51 s LEU 38 N -0.21 0.92 0.22 -0.68 2.96 -0.79 -4.66 118.68 116.44 1x51 s LEU 38 Ca 0.08 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1x51 s LEU 38 Cb -0.12 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 1x51 s LEU 38 CO 0.01 -0.13 0.15 0.68 -1.32 0.00 0.00 176.35 175.74 1x51 s VAL 39 N 1.53 4.35 0.03 1.68 -7.23 -0.82 -0.93 120.40 119.01 1x51 s VAL 39 Ca -0.01 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1x51 s VAL 39 Cb -0.13 -3.29 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 1x51 s VAL 39 CO -0.03 -0.25 0.07 -1.58 -0.31 0.00 0.00 175.10 173.00 1x51 s GLN 40 N -3.50 2.97 0.41 4.82 0.74 -0.83 -0.16 119.66 124.11 1x51 s GLN 40 Ca 0.32 -0.58 -0.11 0.00 0.05 0.00 0.00 55.36 55.04 1x51 s GLN 40 Cb -0.09 -2.79 -0.07 0.00 1.10 0.00 0.00 33.01 31.17 1x51 s GLN 40 CO 0.24 0.61 0.78 1.03 -0.55 0.00 0.00 175.29 177.40 1x51 s ARG 41 N -1.97 3.80 1.03 1.67 0.52 -0.30 -4.97 118.95 118.73 1x51 s ARG 41 Ca 0.25 0.52 -0.13 0.00 -0.52 0.00 0.00 55.73 55.85 1x51 s ARG 41 Cb -0.12 -2.37 0.21 0.00 0.52 0.00 0.00 34.95 33.18 1x51 s ARG 41 CO 0.17 -0.04 1.09 -1.25 0.02 0.00 0.00 175.30 175.29 1x51 s PRO 42 N -3.82 0.16 -1.12 3.54 0.04 -1.26 -2.68 135.00 129.86 1x51 s PRO 42 Ca 0.52 0.43 -0.09 0.00 0.04 0.00 0.00 61.00 61.91 1x51 s PRO 42 Cb -0.10 -1.71 -0.14 0.00 0.04 0.00 0.00 34.50 32.58 1x51 s PRO 42 CO 0.31 -2.89 3.15 0.27 0.04 0.00 0.00 177.00 177.87 1x51 n ASN 43 N -4.27 7.63 -4.18 6.66 6.94 -1.26 -2.88 115.26 123.88 1x51 n ASN 43 Ca 0.06 -2.54 -0.30 0.00 -0.02 0.00 0.00 54.58 51.78 1x51 n ASN 43 Cb 0.58 -1.50 -0.17 0.00 -2.36 0.00 0.00 39.78 36.32 1x51 n ASN 43 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1x51 s SER 44 N 2.14 2.80 0.05 0.53 0.15 -1.26 -5.03 113.70 113.09 1x51 s SER 44 Ca 0.68 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1x51 s SER 44 Cb 0.22 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1x51 s SER 44 CO -0.04 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1x51 n GLY 45 N 3.52 -1.66 0.10 9.45 0.00 -1.26 -4.24 105.19 111.10 1x51 n GLY 45 Ca -0.20 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 1x51 n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x51 h LEU 46 N -0.18 0.21 -7.27 0.99 3.38 -1.99 -3.35 115.31 107.10 1x51 h LEU 46 Ca -0.00 -0.49 -0.74 0.00 0.09 0.00 0.00 57.88 56.73 1x51 h LEU 46 Cb 0.18 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.71 1x51 h LEU 46 CO 0.00 0.66 1.69 -0.11 0.09 0.00 0.00 178.44 180.78 1x51 n LEU 47 N -4.68 5.71 -4.36 1.67 7.94 -1.26 -4.93 117.00 117.08 1x51 n LEU 47 Ca -0.07 -4.47 -0.21 0.00 -1.11 0.00 0.00 56.01 50.15 1x51 n LEU 47 Cb 0.32 -1.59 -0.08 0.00 0.53 0.00 0.00 43.42 42.60 1x51 n LEU 47 CO 0.37 0.90 -0.16 0.00 -1.11 0.00 0.00 177.39 177.39 1x51 s ALA 48 N 1.44 2.20 -0.00 1.96 0.00 -1.26 -4.83 121.76 121.26 1x51 s ALA 48 Ca 0.43 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1x51 s ALA 48 Cb 0.02 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.32 1x51 s ALA 48 CO 0.01 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1x51 n GLY 49 N -0.69 0.23 3.98 0.00 0.00 -1.09 -4.99 105.19 102.63 1x51 n GLY 49 Ca 0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1x51 n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x51 s LEU 50 N -0.01 2.92 -0.17 0.99 2.01 -1.26 -4.72 118.68 118.44 1x51 s LEU 50 Ca 0.00 -0.23 -0.01 0.00 0.01 0.00 0.00 54.13 53.90 1x51 s LEU 50 Cb 0.00 -2.05 -0.00 0.00 0.01 0.00 0.00 46.19 44.14 1x51 s LEU 50 CO 0.00 -2.04 -0.12 0.26 1.01 0.00 0.00 176.35 175.46 1x51 s TRP 51 N -3.30 2.83 0.07 0.29 0.52 0.06 -1.15 118.94 118.26 1x51 s TRP 51 Ca 0.68 -0.96 -0.18 0.00 0.02 0.00 0.00 56.10 55.66 1x51 s TRP 51 Cb -0.05 -1.93 0.04 0.00 -1.15 0.00 0.00 33.47 30.38 1x51 s TRP 51 CO 0.46 -0.45 0.43 -1.83 0.02 0.00 0.00 176.95 175.58 1x51 s GLU 52 N 0.89 0.98 0.55 4.98 1.03 0.77 -3.51 118.70 124.39 1x51 s GLU 52 Ca -0.03 -0.43 -0.21 0.00 0.03 0.00 0.00 54.97 54.33 1x51 s GLU 52 Cb -0.15 0.44 -0.05 0.00 -0.80 0.00 0.00 34.13 33.57 1x51 s GLU 52 CO -0.01 -0.35 1.26 1.19 -1.33 0.00 0.00 175.26 176.02 1x51 n PHE 53 N 0.30 1.95 -2.25 4.83 3.72 -1.26 -1.95 117.46 122.80 1x51 n PHE 53 Ca -0.18 0.44 -0.41 0.00 -0.05 0.00 0.00 57.45 57.26 1x51 n PHE 53 Cb 0.61 -2.31 -0.03 0.00 -0.94 0.00 0.00 39.48 36.81 1x51 n PHE 53 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1x51 s PRO 54 N -2.82 4.46 0.15 -1.08 0.04 -1.26 -4.84 135.00 129.65 1x51 s PRO 54 Ca 0.72 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.75 1x51 s PRO 54 Cb -0.43 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 1x51 s PRO 54 CO 0.49 -0.04 0.24 -1.54 0.04 0.00 0.00 177.00 176.18 1x51 s SER 55 N -0.60 0.10 0.36 6.66 1.04 -1.26 -2.92 113.70 117.07 1x51 s SER 55 Ca 0.48 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 56.02 1x51 s SER 55 Cb -0.37 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 66.10 1x51 s SER 55 CO 0.48 -0.86 0.05 0.68 0.98 0.00 0.00 173.24 174.58 1x51 s VAL 56 N -3.98 1.28 0.74 5.02 -7.23 -0.74 -4.95 120.40 110.54 1x51 s VAL 56 Ca 0.18 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.20 1x51 s VAL 56 Cb 0.04 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.25 1x51 s VAL 56 CO -0.00 0.00 0.94 1.07 -0.31 0.00 0.00 175.10 176.80 1x51 n THR 57 N -0.80 2.52 -2.17 5.32 5.66 -1.26 -1.64 114.28 121.91 1x51 n THR 57 Ca -0.04 -0.34 -0.39 0.00 -3.05 0.00 0.00 64.05 60.22 1x51 n THR 57 Cb 0.67 -1.07 -0.02 0.00 -1.55 0.00 0.00 70.33 68.36 1x51 n THR 57 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1x51 s TRP 58 N -1.89 3.00 -0.08 1.09 -0.00 -1.16 -4.45 118.94 115.46 1x51 s TRP 58 Ca 0.72 1.48 0.03 0.00 -0.00 0.00 0.00 56.10 58.33 1x51 s TRP 58 Cb -0.33 -3.55 0.01 0.00 -0.00 0.00 0.00 33.47 29.59 1x51 s TRP 58 CO 0.52 -1.68 -0.17 -1.21 -0.00 0.00 0.00 176.95 174.41 1x51 s GLU 59 N -2.12 2.16 0.49 5.86 0.41 -1.26 -5.01 118.70 119.23 1x51 s GLU 59 Ca 0.55 -0.58 0.28 0.00 -0.41 0.00 0.00 54.97 54.80 1x51 s GLU 59 Cb -0.35 -1.72 1.16 0.00 -1.78 0.00 0.00 34.13 31.44 1x51 s GLU 59 CO 0.46 0.09 1.92 -1.00 -0.49 0.00 0.00 175.26 176.24 1x51 h PRO 60 N 6.83 0.00 -5.80 0.39 0.13 -1.97 -3.43 132.00 128.15 1x51 h PRO 60 Ca -0.27 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.25 1x51 h PRO 60 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1x51 h PRO 60 CO 0.47 0.14 -0.28 0.45 -0.23 0.00 0.00 178.00 178.55 1x51 s SER 61 N -6.03 6.63 0.61 1.44 0.15 -1.26 -4.96 113.70 110.27 1x51 s SER 61 Ca -0.00 0.75 0.32 0.00 0.70 0.00 0.00 55.95 57.72 1x51 s SER 61 Cb 0.10 -2.20 1.89 0.00 -1.71 0.00 0.00 66.02 64.10 1x51 s SER 61 CO 0.60 0.27 2.23 -0.08 1.20 0.00 0.00 173.24 177.46 1x51 h GLU 62 N 5.34 0.00 0.00 5.44 4.57 -2.02 -2.53 114.58 125.38 1x51 h GLU 62 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1x51 h GLU 62 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1x51 h GLU 62 CO 0.65 0.00 -0.24 0.37 -1.18 0.00 0.00 179.01 178.61 1x51 h GLN 63 N 0.00 0.00 -1.10 1.92 4.15 -1.95 -3.34 115.11 114.80 1x51 h GLN 63 Ca 0.02 0.00 0.43 0.00 0.77 0.00 0.00 58.65 59.87 1x51 h GLN 63 Cb 0.14 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 27.66 1x51 h GLN 63 CO -0.00 0.00 0.64 1.28 -1.93 0.00 0.00 178.83 178.82 1x51 n LEU 64 N -4.08 0.30 0.20 -2.39 4.32 -1.17 0.39 117.00 114.56 1x51 n LEU 64 Ca -0.03 1.54 -0.15 0.00 -0.02 0.00 0.00 56.01 57.35 1x51 n LEU 64 Cb 0.12 -0.75 -0.07 0.00 -1.62 0.00 0.00 43.42 41.10 1x51 n LEU 64 CO 0.05 -1.71 0.70 -0.61 -1.22 0.00 0.00 177.39 174.60 1x51 h GLN 65 N 0.00 -0.54 0.16 3.23 5.75 -1.62 -1.47 115.11 120.63 1x51 h GLN 65 Ca 0.84 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 59.37 1x51 h GLN 65 Cb 2.39 0.12 0.00 0.00 1.07 0.00 0.00 27.48 31.06 1x51 h GLN 65 CO -0.66 -0.36 -0.08 0.00 -2.65 0.00 0.00 178.83 175.08 1x51 h ARG 66 N -0.56 -0.21 -0.10 1.69 3.08 -0.18 0.14 114.38 118.23 1x51 h ARG 66 Ca -0.02 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1x51 h ARG 66 Cb 0.50 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1x51 h ARG 66 CO -0.02 0.07 -0.11 0.87 -1.07 0.00 0.00 179.97 179.71 1x51 h LYS 67 N -0.49 -0.06 -0.40 0.04 1.57 -0.99 -0.57 116.57 115.67 1x51 h LYS 67 Ca -0.02 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1x51 h LYS 67 Cb 0.38 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1x51 h LYS 67 CO 0.04 -0.04 0.19 0.00 -0.57 0.00 0.00 179.45 179.06 1x51 h ALA 68 N -0.99 0.49 -0.94 3.86 0.00 -1.35 -1.62 119.26 118.71 1x51 h ALA 68 Ca 0.02 0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.24 1x51 h ALA 68 Cb 0.11 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.70 1x51 h ALA 68 CO -0.13 -0.18 0.29 1.25 0.00 0.00 0.00 179.25 180.48 1x51 h LEU 69 N 0.38 0.02 0.00 0.00 5.85 -0.26 0.19 115.31 121.49 1x51 h LEU 69 Ca 0.18 0.23 -0.04 0.00 0.84 0.00 0.00 57.88 59.08 1x51 h LEU 69 Cb 0.10 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1x51 h LEU 69 CO -0.14 -0.25 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.49 1x51 h LEU 70 N 0.14 0.13 -0.76 2.25 3.38 -0.54 -3.21 115.31 116.70 1x51 h LEU 70 Ca 0.64 -0.80 0.18 0.00 0.09 0.00 0.00 57.88 57.99 1x51 h LEU 70 Cb 1.42 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.99 1x51 h LEU 70 CO -0.73 0.91 -0.10 0.00 0.09 0.00 0.00 178.44 178.61 1x51 n GLN 71 N -4.58 -0.07 0.17 1.13 6.02 0.02 0.21 117.38 120.28 1x51 n GLN 71 Ca -0.10 1.17 -0.13 0.00 -0.01 0.00 0.00 57.00 57.93 1x51 n GLN 71 Cb 0.46 -1.80 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 1x51 n GLN 71 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1x51 h GLU 72 N 0.00 -0.44 -0.93 -1.09 4.57 -1.55 -3.12 114.58 112.02 1x51 h GLU 72 Ca 0.41 0.03 0.24 0.00 -1.18 0.00 0.00 59.36 58.86 1x51 h GLU 72 Cb 0.74 0.10 -0.17 0.00 -0.16 0.00 0.00 28.75 29.26 1x51 h GLU 72 CO -0.76 -0.12 0.01 -0.07 -1.18 0.00 0.00 179.01 176.89 1x51 h LEU 73 N -0.80 -0.46 -0.73 1.64 3.38 -0.23 0.69 115.31 118.79 1x51 h LEU 73 Ca -0.05 0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1x51 h LEU 73 Cb 0.52 0.46 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1x51 h LEU 73 CO 0.08 -0.30 0.41 1.56 0.09 0.00 0.00 178.44 180.27 1x51 h GLN 74 N 0.04 0.71 -1.04 1.13 4.20 -1.15 -0.63 115.11 118.37 1x51 h GLN 74 Ca 0.55 -0.04 0.28 0.00 0.06 0.00 0.00 58.65 59.50 1x51 h GLN 74 Cb 1.07 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.63 1x51 h GLN 74 CO -0.86 0.47 0.72 0.00 -0.67 0.00 0.00 178.83 178.48 1x51 h ARG 75 N 0.73 0.17 0.00 1.46 3.08 0.46 0.29 114.38 120.57 1x51 h ARG 75 Ca 0.34 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1x51 h ARG 75 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1x51 h ARG 75 CO -0.21 0.11 -0.02 -1.49 -1.07 0.00 0.00 179.97 177.30 1x51 h TRP 76 N 0.18 0.00 0.00 3.04 4.06 -1.06 -3.45 115.95 118.72 1x51 h TRP 76 Ca 0.53 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.48 1x51 h TRP 76 Cb 1.76 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.92 1x51 h TRP 76 CO -0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1x51 n ALA 77 N -2.25 -0.08 0.00 1.49 0.00 -0.62 -3.90 120.51 115.15 1x51 n ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x51 n ALA 77 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1x51 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x51 n GLY 78 N 1.49 0.07 3.59 0.00 0.00 0.08 -4.49 105.19 105.94 1x51 n GLY 78 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1x51 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x51 s PRO 79 N 0.00 3.27 -0.08 1.61 0.04 -1.26 -4.21 135.00 134.37 1x51 s PRO 79 Ca 0.00 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.28 1x51 s PRO 79 Cb 0.00 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.34 1x51 s PRO 79 CO 0.00 -1.94 -0.24 -0.51 0.04 0.00 0.00 177.00 174.35 1x51 s LEU 80 N 6.94 2.09 0.00 -3.56 2.01 -1.26 -4.99 118.68 119.90 1x51 s LEU 80 Ca 0.74 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 54.35 1x51 s LEU 80 Cb -0.19 -1.39 0.00 0.00 0.01 0.00 0.00 46.19 44.62 1x51 s LEU 80 CO 0.31 0.21 0.00 -0.81 1.01 0.00 0.00 176.35 177.07 1x51 n PRO 81 N 3.20 -0.72 0.10 1.29 -0.04 -1.26 -5.07 135.00 132.50 1x51 n PRO 81 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1x51 n PRO 81 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1x51 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x51 n ALA 82 N -3.00 3.00 -0.27 0.55 0.00 -1.26 -4.83 120.51 114.70 1x51 n ALA 82 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1x51 n ALA 82 Cb 0.00 0.11 0.10 0.00 0.00 0.00 0.00 19.45 19.66 1x51 n ALA 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1x51 h THR 83 N 0.00 1.05 -0.41 0.00 2.02 -2.02 -0.76 112.91 112.80 1x51 h THR 83 Ca 0.00 -0.30 0.12 0.00 0.77 0.00 0.00 66.41 67.00 1x51 h THR 83 Cb 0.03 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1x51 h THR 83 CO 0.00 0.16 0.50 0.45 0.37 0.00 0.00 175.52 177.00 1x51 h HIS 84 N 0.87 0.00 -3.23 3.16 -0.00 -1.93 -3.39 115.15 110.63 1x51 h HIS 84 Ca 0.32 0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 60.15 1x51 h HIS 84 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1x51 h HIS 84 CO -0.05 0.00 0.53 -1.17 -0.00 0.00 0.00 177.93 177.25 1x51 s LEU 85 N -7.10 4.36 -0.02 2.43 2.96 -0.29 -4.46 118.68 116.55 1x51 s LEU 85 Ca -0.04 1.90 -0.15 0.00 -0.22 0.00 0.00 54.13 55.62 1x51 s LEU 85 Cb 0.14 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.28 1x51 s LEU 85 CO 0.50 -0.44 0.32 -0.13 -1.32 0.00 0.00 176.35 175.28 1x51 s ARG 86 N 1.22 0.66 -0.14 1.98 0.52 -1.09 -5.00 118.95 117.09 1x51 s ARG 86 Ca 0.57 -0.15 -0.23 0.00 -0.52 0.00 0.00 55.73 55.40 1x51 s ARG 86 Cb -0.27 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.47 1x51 s ARG 86 CO 0.28 -0.18 0.70 -1.58 0.02 0.00 0.00 175.30 174.54 1x51 s HIS 87 N -1.24 3.47 -0.42 -0.53 5.65 -1.26 -1.76 115.29 119.19 1x51 s HIS 87 Ca -0.13 1.13 0.02 0.00 0.25 0.00 0.00 55.06 56.33 1x51 s HIS 87 Cb -0.05 -2.84 0.12 0.00 -1.18 0.00 0.00 32.58 28.63 1x51 s HIS 87 CO 0.04 -0.08 0.20 -0.51 -0.65 0.00 0.00 174.74 173.74 1x51 s LEU 88 N 1.50 3.06 0.00 8.88 1.43 -1.12 -5.00 118.68 127.44 1x51 s LEU 88 Ca 0.34 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 50.99 1x51 s LEU 88 Cb -0.17 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1x51 s LEU 88 CO 0.14 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1x51 n GLY 89 N 3.79 -1.48 3.31 -3.19 0.00 -1.26 -4.44 105.19 101.92 1x51 n GLY 89 Ca 0.06 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1x51 n GLY 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x51 s GLU 90 N -0.06 1.33 -0.24 1.61 -1.05 -1.26 -3.60 118.70 115.43 1x51 s GLU 90 Ca 0.00 -1.55 -0.03 0.00 -0.15 0.00 0.00 54.97 53.24 1x51 s GLU 90 Cb 0.00 0.33 0.10 0.00 -0.44 0.00 0.00 34.13 34.12 1x51 s GLU 90 CO 0.00 -0.48 0.19 0.08 0.95 0.00 0.00 175.26 176.00 1x51 s VAL 91 N -4.07 -0.23 -0.25 1.83 1.01 -0.04 -4.84 120.40 113.81 1x51 s VAL 91 Ca 0.34 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1x51 s VAL 91 Cb 0.05 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.67 1x51 s VAL 91 CO 0.12 -0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 174.01 1x51 s VAL 92 N 2.24 2.33 0.04 2.92 1.01 -1.26 0.35 120.40 128.03 1x51 s VAL 92 Ca 0.07 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.61 1x51 s VAL 92 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1x51 s VAL 92 CO -0.23 0.06 0.08 -2.28 0.00 0.00 0.00 175.10 172.73 1x51 s HIS 93 N 1.17 3.23 -0.23 5.22 2.46 -0.71 -4.97 115.29 121.46 1x51 s HIS 93 Ca -0.06 0.13 0.01 0.00 0.47 0.00 0.00 55.06 55.62 1x51 s HIS 93 Cb -0.19 -1.67 0.04 0.00 -0.13 0.00 0.00 32.58 30.63 1x51 s HIS 93 CO -0.06 0.53 -0.13 0.99 -2.47 0.00 0.00 174.74 173.60 1x51 s THR 94 N -1.29 2.29 0.39 0.89 2.01 -1.26 -0.27 115.64 118.40 1x51 s THR 94 Ca 0.26 -1.24 0.06 0.00 0.31 0.00 0.00 61.69 61.08 1x51 s THR 94 Cb -0.12 -2.16 0.07 0.00 0.01 0.00 0.00 72.50 70.29 1x51 s THR 94 CO 0.18 0.23 0.55 0.49 -0.69 0.00 0.00 174.62 175.38 1x51 n PHE 95 N 4.55 -2.55 -1.56 4.92 3.72 0.03 -4.95 117.46 121.62 1x51 n PHE 95 Ca -0.17 -1.41 -0.52 0.00 -0.05 0.00 0.00 57.45 55.30 1x51 n PHE 95 Cb 0.46 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 1x51 n PHE 95 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x51 n SER 96 N -2.57 2.50 -2.24 4.37 7.64 -1.26 -0.89 113.62 121.17 1x51 n SER 96 Ca 0.11 0.67 -0.04 0.00 1.01 0.00 0.00 58.87 60.62 1x51 n SER 96 Cb 0.40 -1.27 -0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1x51 n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x51 n HIS 97 N 8.24 -1.63 -4.10 1.43 1.44 -1.26 -4.87 115.22 114.47 1x51 n HIS 97 Ca 0.34 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.95 1x51 n HIS 97 Cb 0.23 -1.58 -0.10 0.00 0.12 0.00 0.00 29.99 28.65 1x51 n HIS 97 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1x51 s ILE 98 N -2.06 0.46 -0.04 0.61 1.01 -0.07 -4.61 121.20 116.51 1x51 s ILE 98 Ca 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 60.65 59.09 1x51 s ILE 98 Cb 0.00 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.31 1x51 s ILE 98 CO 0.00 -0.74 0.01 -0.75 0.00 0.00 0.00 174.94 173.46 1x51 s LYS 99 N -2.99 0.27 0.01 2.79 2.36 0.07 -0.79 119.74 121.47 1x51 s LYS 99 Ca 0.02 0.13 0.07 0.00 -2.55 0.00 0.00 55.97 53.64 1x51 s LYS 99 Cb 0.00 -0.54 -0.03 0.00 -1.05 0.00 0.00 37.83 36.21 1x51 s LYS 99 CO -0.04 -0.19 -0.21 -0.51 1.55 0.00 0.00 175.35 175.95 1x51 s LEU 100 N 1.32 2.41 -0.21 5.43 2.01 0.63 -2.86 118.68 127.41 1x51 s LEU 100 Ca -0.06 -0.43 -0.00 0.00 0.01 0.00 0.00 54.13 53.65 1x51 s LEU 100 Cb -0.13 -1.43 0.06 0.00 0.01 0.00 0.00 46.19 44.69 1x51 s LEU 100 CO -0.02 0.29 -0.04 -0.89 1.01 0.00 0.00 176.35 176.69 1x51 s THR 101 N -0.79 1.28 -0.08 5.49 2.01 0.03 -1.73 115.64 121.85 1x51 s THR 101 Ca 0.12 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1x51 s THR 101 Cb -0.10 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1x51 s THR 101 CO 0.02 -0.06 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.48 1x51 s TYR 102 N 1.52 2.85 -0.28 4.92 1.51 0.16 -0.87 117.35 127.16 1x51 s TYR 102 Ca -0.03 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.73 1x51 s TYR 102 Cb -0.18 -1.74 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 1x51 s TYR 102 CO -0.07 0.15 0.18 -0.65 -1.11 0.00 0.00 175.55 174.05 1x51 s GLN 103 N -0.44 3.94 0.01 -0.62 -1.52 -0.55 -0.86 119.66 119.62 1x51 s GLN 103 Ca 0.06 -0.33 -0.30 0.00 -1.95 0.00 0.00 55.36 52.84 1x51 s GLN 103 Cb -0.12 -3.64 -0.05 0.00 -0.22 0.00 0.00 33.01 28.98 1x51 s GLN 103 CO 0.02 -0.17 1.24 0.08 -0.25 0.00 0.00 175.29 176.22 1x51 s VAL 104 N 1.71 4.03 -0.01 1.09 1.01 -1.24 -1.69 120.40 125.31 1x51 s VAL 104 Ca 0.07 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.48 1x51 s VAL 104 Cb -0.16 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1x51 s VAL 104 CO 0.10 0.05 -0.03 -0.31 0.00 0.00 0.00 175.10 174.91 1x51 s TYR 105 N 1.72 0.38 0.09 5.22 2.02 -0.67 -2.78 117.35 123.33 1x51 s TYR 105 Ca 0.59 -0.07 0.07 0.00 -0.37 0.00 0.00 57.07 57.29 1x51 s TYR 105 Cb -0.28 -0.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 1x51 s TYR 105 CO 0.26 -0.04 -0.12 0.20 -1.57 0.00 0.00 175.55 174.28 1x51 s GLY 106 N 0.16 1.74 -0.30 0.71 0.00 -0.72 0.04 107.32 108.95 1x51 s GLY 106 Ca -0.01 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.46 1x51 s GLY 106 CO -0.00 -1.19 0.68 -2.27 0.00 0.00 0.00 173.10 170.31 1x51 s LEU 107 N -2.01 -1.30 -0.01 0.66 1.98 0.32 -2.68 118.68 115.65 1x51 s LEU 107 Ca 0.19 0.56 0.07 0.00 -2.89 0.00 0.00 54.13 52.06 1x51 s LEU 107 Cb -0.11 1.99 -0.02 0.00 0.66 0.00 0.00 46.19 48.71 1x51 s LEU 107 CO 0.11 -0.24 -0.21 0.00 -1.89 0.00 0.00 176.35 174.13 1x51 s ALA 108 N 2.87 1.72 -0.58 5.97 0.00 -1.26 -1.34 121.76 129.14 1x51 s ALA 108 Ca 0.16 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 50.95 1x51 s ALA 108 Cb -0.12 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.62 1x51 s ALA 108 CO -0.21 0.42 1.01 -0.51 0.00 0.00 0.00 175.76 176.46 1x51 s LEU 109 N -0.61 3.96 0.64 0.00 1.43 -0.54 -4.88 118.68 118.68 1x51 s LEU 109 Ca 0.08 -0.35 0.23 0.00 -1.03 0.00 0.00 54.13 53.06 1x51 s LEU 109 Cb -0.08 -2.83 1.16 0.00 0.03 0.00 0.00 46.19 44.47 1x51 s LEU 109 CO -0.00 -1.34 1.64 -0.08 0.23 0.00 0.00 176.35 176.80 1x51 h GLU 110 N 9.43 0.00 0.00 1.70 4.57 -1.99 -3.39 114.58 124.90 1x51 h GLU 110 Ca -0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1x51 h GLU 110 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1x51 h GLU 110 CO 1.13 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 179.37 1x51 n GLY 111 N -1.42 0.74 0.00 1.92 0.00 -1.26 -5.00 105.19 100.17 1x51 n GLY 111 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 1x51 n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x51 h GLN 112 N 0.00 0.00 -3.21 1.61 1.08 -1.99 -3.50 115.11 109.10 1x51 h GLN 112 Ca 0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 1x51 h GLN 112 Cb 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 27.17 1x51 h GLN 112 CO 0.00 0.00 -0.46 0.95 -0.95 0.00 0.00 178.83 178.37 1x51 s THR 113 N -1.03 0.00 1.05 -0.54 -4.23 -1.26 -5.17 115.64 104.46 1x51 s THR 113 Ca -0.00 -0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.35 1x51 s THR 113 Cb 0.00 -0.32 0.21 0.00 1.34 0.00 0.00 72.50 73.74 1x51 s THR 113 CO 0.00 -0.01 1.10 -2.16 -0.54 0.00 0.00 174.62 173.01 1x51 s PRO 114 N 0.06 0.04 -0.21 3.99 0.04 -1.26 -5.02 135.00 132.63 1x51 s PRO 114 Ca -0.01 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.41 1x51 s PRO 114 Cb -0.02 -1.70 -0.13 0.00 0.04 0.00 0.00 34.50 32.69 1x51 s PRO 114 CO 0.00 -2.97 -0.20 1.55 0.04 0.00 0.00 177.00 175.42 1x51 n VAL 115 N -4.32 1.21 -3.73 -0.36 3.14 -1.26 -4.93 118.33 108.07 1x51 n VAL 115 Ca 0.06 -0.43 -0.26 0.00 -2.96 0.00 0.00 64.34 60.75 1x51 n VAL 115 Cb 0.58 -1.34 -0.06 0.00 -1.06 0.00 0.00 33.84 31.95 1x51 n VAL 115 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1x51 n THR 116 N -3.28 -0.38 -3.63 1.55 -2.24 -1.26 -4.85 114.28 100.19 1x51 n THR 116 Ca -0.38 -0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 61.18 1x51 n THR 116 Cb 0.88 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 1x51 n THR 116 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x51 s THR 117 N -3.34 -0.73 -0.28 4.28 2.01 -1.26 -5.16 115.64 111.15 1x51 s THR 117 Ca 0.28 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 1x51 s THR 117 Cb -0.16 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.46 1x51 s THR 117 CO 0.72 0.00 0.90 0.54 -0.69 0.00 0.00 174.62 176.09 1x51 s VAL 118 N 2.57 0.00 0.98 3.82 0.11 -1.25 -4.05 120.40 122.58 1x51 s VAL 118 Ca -0.07 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.86 1x51 s VAL 118 Cb -0.10 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 33.93 1x51 s VAL 118 CO -0.19 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.51 1x51 s PRO 119 N 0.77 0.59 0.00 1.54 0.04 -1.26 -4.90 135.00 131.78 1x51 s PRO 119 Ca -0.03 0.58 0.16 0.00 0.04 0.00 0.00 61.00 61.75 1x51 s PRO 119 Cb -0.05 -1.75 0.92 0.00 0.04 0.00 0.00 34.50 33.66 1x51 s PRO 119 CO -0.09 -2.64 1.35 -0.35 0.04 0.00 0.00 177.00 175.30 1x51 n PRO 120 N -4.12 0.47 0.00 0.56 -0.04 -1.26 -2.10 135.00 128.52 1x51 n PRO 120 Ca 0.06 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1x51 n PRO 120 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1x51 n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x51 n GLY 121 N -0.03 -0.05 3.27 0.55 0.00 -1.26 -4.95 105.19 102.72 1x51 n GLY 121 Ca 0.11 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1x51 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 s ALA 122 N -2.48 1.69 0.09 4.61 0.00 -0.89 -1.96 121.76 122.82 1x51 s ALA 122 Ca 0.17 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1x51 s ALA 122 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1x51 s ALA 122 CO 0.58 0.32 -0.12 -0.98 0.00 0.00 0.00 175.76 175.56 1x51 s ARG 123 N -1.93 0.83 -0.42 0.00 1.70 -0.10 -4.71 118.95 114.31 1x51 s ARG 123 Ca 0.05 -1.07 -0.05 0.00 -0.47 0.00 0.00 55.73 54.20 1x51 s ARG 123 Cb -0.10 -0.64 0.11 0.00 -0.57 0.00 0.00 34.95 33.75 1x51 s ARG 123 CO 0.04 0.12 0.23 -1.58 -1.08 0.00 0.00 175.30 173.03 1x51 s TRP 124 N -1.96 3.53 0.41 5.89 0.52 -1.26 -1.88 118.94 124.19 1x51 s TRP 124 Ca 0.02 -2.24 0.07 0.00 0.02 0.00 0.00 56.10 53.98 1x51 s TRP 124 Cb -0.06 -3.24 -0.06 0.00 -1.15 0.00 0.00 33.47 28.96 1x51 s TRP 124 CO 0.01 -0.97 0.14 -0.48 0.02 0.00 0.00 176.95 175.67 1x51 s LEU 125 N 1.21 3.06 0.62 2.99 0.05 -1.14 -4.94 118.68 120.53 1x51 s LEU 125 Ca 0.07 -1.15 -0.05 0.00 0.05 0.00 0.00 54.13 53.05 1x51 s LEU 125 Cb -0.23 -1.30 0.03 0.00 -2.05 0.00 0.00 46.19 42.63 1x51 s LEU 125 CO -0.03 -0.52 0.92 0.42 -0.55 0.00 0.00 176.35 176.58 1x51 s THR 126 N -2.63 3.02 0.28 5.48 -4.23 -1.26 -0.33 115.64 115.97 1x51 s THR 126 Ca 0.39 -0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 1x51 s THR 126 Cb 0.05 -3.23 0.27 0.00 1.34 0.00 0.00 72.50 70.94 1x51 s THR 126 CO 0.21 -0.22 1.78 1.56 -0.54 0.00 0.00 174.62 177.41 1x51 h GLN 127 N -0.28 0.70 0.06 3.99 4.20 -1.94 -0.71 115.11 121.14 1x51 h GLN 127 Ca -0.45 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.22 1x51 h GLN 127 Cb 1.28 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1x51 h GLN 127 CO 0.59 0.47 -0.03 0.93 -0.67 0.00 0.00 178.83 180.12 1x51 h GLU 128 N 0.73 -0.08 -0.93 1.46 5.08 -1.93 -3.07 114.58 115.83 1x51 h GLU 128 Ca 0.52 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 59.05 1x51 h GLU 128 Cb 0.74 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 1x51 h GLU 128 CO -0.36 0.29 0.59 0.93 -1.00 0.00 0.00 179.01 179.47 1x51 h GLU 129 N -0.46 0.63 0.24 2.33 4.39 -1.73 -2.02 114.58 117.97 1x51 h GLU 129 Ca -0.01 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1x51 h GLU 129 Cb 0.41 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1x51 h GLU 129 CO 0.01 0.42 -0.34 0.35 -1.16 0.00 0.00 179.01 178.29 1x51 h PHE 130 N 0.65 -0.93 -0.72 4.33 3.57 -1.06 0.10 116.94 122.88 1x51 h PHE 130 Ca 0.49 0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.14 1x51 h PHE 130 Cb 0.87 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 39.89 1x51 h PHE 130 CO -0.00 -0.47 0.25 0.45 -2.23 0.00 0.00 178.31 176.31 1x51 h HIS 131 N -0.65 0.42 0.00 0.41 3.86 -1.35 0.61 115.15 118.46 1x51 h HIS 131 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1x51 h HIS 131 Cb 0.62 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1x51 h HIS 131 CO -0.24 0.03 0.00 0.25 0.86 0.00 0.00 177.93 178.83 1x51 n THR 132 N -5.04 0.37 -1.97 2.45 -2.24 -0.92 -4.80 114.28 102.12 1x51 n THR 132 Ca 0.13 0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.71 1x51 n THR 132 Cb 0.40 -0.72 0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1x51 n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x51 s ALA 133 N -2.74 2.43 -0.71 6.98 0.00 0.21 -5.01 121.76 122.92 1x51 s ALA 133 Ca 0.17 -1.12 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1x51 s ALA 133 Cb 0.15 -2.76 0.13 0.00 0.00 0.00 0.00 23.12 20.64 1x51 s ALA 133 CO 0.37 -2.21 0.81 0.00 0.00 0.00 0.00 175.76 174.73 1x51 s ALA 134 N -3.77 3.54 0.19 0.00 0.00 -1.26 -5.01 121.76 115.45 1x51 s ALA 134 Ca 0.71 -2.57 0.08 0.00 0.00 0.00 0.00 51.96 50.18 1x51 s ALA 134 Cb -0.05 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1x51 s ALA 134 CO 0.51 -2.47 -0.16 0.08 0.00 0.00 0.00 175.76 173.72 1x51 s VAL 135 N 2.16 1.79 0.20 0.00 1.01 -1.23 -0.76 120.40 123.57 1x51 s VAL 135 Ca 0.17 -2.08 -0.24 0.00 0.00 0.00 0.00 61.98 59.83 1x51 s VAL 135 Cb -0.17 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 1x51 s VAL 135 CO -0.00 -0.46 0.79 -0.44 0.00 0.00 0.00 175.10 174.99 1x51 s SER 136 N -3.02 7.31 0.01 3.32 0.01 -1.26 -4.80 113.70 115.27 1x51 s SER 136 Ca 0.19 1.63 -0.02 0.00 1.31 0.00 0.00 55.95 59.07 1x51 s SER 136 Cb -0.03 -2.49 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 1x51 s SER 136 CO 0.07 0.13 0.70 0.41 0.41 0.00 0.00 173.24 174.95 1x51 n THR 137 N 1.23 -0.03 -0.32 1.44 -1.04 -1.26 0.18 114.28 114.47 1x51 n THR 137 Ca -0.04 1.05 0.30 0.00 -2.04 0.00 0.00 64.05 63.32 1x51 n THR 137 Cb 0.49 -1.39 0.55 0.00 -1.82 0.00 0.00 70.33 68.17 1x51 n THR 137 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x51 h ALA 138 N -0.60 2.06 -0.23 2.41 0.00 -1.98 1.19 119.26 122.12 1x51 h ALA 138 Ca 0.01 0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1x51 h ALA 138 Cb 0.02 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x51 h ALA 138 CO -0.05 -0.90 -0.65 0.52 0.00 0.00 0.00 179.25 178.18 1x51 h MET 139 N 0.02 0.85 0.00 0.00 2.07 0.15 -1.98 114.93 116.03 1x51 h MET 139 Ca 0.82 -0.60 -0.01 0.00 -2.07 0.00 0.00 59.70 57.84 1x51 h MET 139 Cb 2.12 0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 31.94 1x51 h MET 139 CO -0.78 1.22 -0.07 0.87 1.07 0.00 0.00 176.91 179.23 1x51 h LYS 140 N 0.62 0.00 0.00 1.72 1.57 0.49 -1.71 116.57 119.26 1x51 h LYS 140 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x51 h LYS 140 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1x51 h LYS 140 CO 0.14 0.07 -0.82 0.36 -0.57 0.00 0.00 179.45 178.63 1x51 n LYS 141 N -3.33 0.01 0.16 3.15 2.85 0.15 -4.08 118.16 117.07 1x51 n LYS 141 Ca -0.01 -0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.28 1x51 n LYS 141 Cb 0.24 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.26 1x51 n LYS 141 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1x51 h VAL 142 N 0.00 0.90 0.08 0.58 2.07 -0.52 -3.25 116.25 116.11 1x51 h VAL 142 Ca 0.00 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 1x51 h VAL 142 Cb 0.51 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1x51 h VAL 142 CO 0.00 0.46 -0.04 0.15 0.02 0.00 0.00 177.57 178.16 1x51 h PHE 143 N 0.00 -0.10 -0.90 1.57 3.57 -1.70 -3.00 116.94 116.38 1x51 h PHE 143 Ca -0.00 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.75 1x51 h PHE 143 Cb 1.21 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1x51 h PHE 143 CO 0.00 0.18 0.85 0.07 -2.23 0.00 0.00 178.31 177.18 1x51 h ARG 144 N -1.00 0.00 0.17 1.11 0.11 -1.73 0.81 114.38 113.85 1x51 h ARG 144 Ca -0.01 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.77 1x51 h ARG 144 Cb 0.33 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.43 1x51 h ARG 144 CO 0.02 0.00 -1.34 0.28 0.10 0.00 0.00 179.97 179.03 1x51 h VAL 145 N 0.00 1.41 -0.10 0.08 2.07 -1.61 0.81 116.25 118.92 1x51 h VAL 145 Ca 0.43 -2.94 -0.11 0.00 0.82 0.00 0.00 66.70 64.90 1x51 h VAL 145 Cb 2.12 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 34.85 1x51 h VAL 145 CO -0.00 0.87 -0.44 0.22 0.02 0.00 0.00 177.57 178.23 1x51 h TYR 146 N 0.10 0.27 0.07 1.57 3.20 0.73 -3.24 116.97 119.67 1x51 h TYR 146 Ca -0.18 -0.08 -0.29 0.00 3.14 0.00 0.00 58.73 61.32 1x51 h TYR 146 Cb 2.04 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 40.23 1x51 h TYR 146 CO 0.08 0.63 -1.58 1.96 -1.64 0.00 0.00 178.16 177.62 1x51 h GLN 147 N 0.19 0.14 -1.62 1.82 1.08 -1.30 -3.36 115.11 112.06 1x51 h GLN 147 Ca 0.01 -0.25 0.49 0.00 -1.45 0.00 0.00 58.65 57.46 1x51 h GLN 147 Cb 0.86 0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 28.28 1x51 h GLN 147 CO 0.07 1.12 1.12 0.78 -0.95 0.00 0.00 178.83 180.97 1x51 h GLY 148 N 0.01 0.56 -7.24 3.46 0.00 -0.89 0.97 103.07 99.95 1x51 h GLY 148 Ca -0.37 -0.05 -0.68 0.00 0.00 0.00 0.00 47.33 46.23 1x51 h GLY 148 CO -0.05 -0.18 0.04 1.20 0.00 0.00 0.00 176.54 177.55 1x51 s GLN 149 N -5.05 3.15 -1.52 4.80 -1.52 -1.22 -4.46 119.66 113.83 1x51 s GLN 149 Ca -0.06 -0.76 -0.01 0.00 -1.95 0.00 0.00 55.36 52.59 1x51 s GLN 149 Cb 0.28 -4.05 0.01 0.00 -0.22 0.00 0.00 33.01 29.02 1x51 s GLN 149 CO 0.86 -1.13 0.12 0.45 -0.25 0.00 0.00 175.29 175.33 1x51 n SER 150 N 6.14 0.56 0.00 5.90 2.88 -1.25 -4.91 113.62 122.94 1x51 n SER 150 Ca -0.05 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 1x51 n SER 150 Cb 0.46 -1.96 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 1x51 n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x51 n GLY 151 N -2.40 0.80 3.77 0.46 0.00 0.34 -5.00 105.19 103.16 1x51 n GLY 151 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1x51 n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x51 s PRO 152 N 0.19 3.49 -0.29 1.61 0.04 -1.26 -5.05 135.00 133.73 1x51 s PRO 152 Ca 0.00 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 1x51 s PRO 152 Cb 0.00 -2.14 0.12 0.00 0.04 0.00 0.00 34.50 32.53 1x51 s PRO 152 CO 0.00 -0.75 0.81 -1.54 0.04 0.00 0.00 177.00 175.56 1x51 s SER 153 N -1.64 -0.80 -0.45 6.66 1.04 -1.26 -5.12 113.70 112.14 1x51 s SER 153 Ca 0.70 1.21 0.02 0.00 0.48 0.00 0.00 55.95 58.36 1x51 s SER 153 Cb -0.25 1.55 0.14 0.00 0.10 0.00 0.00 66.02 67.56 1x51 s SER 153 CO 0.29 -0.18 0.27 -0.55 0.98 0.00 0.00 173.24 174.06 1x51 s SER 154 N 1.91 3.35 0.00 7.02 0.15 -1.26 -5.30 113.70 119.56 1x51 s SER 154 Ca -0.08 -2.75 0.02 0.00 0.70 0.00 0.00 55.95 53.84 1x51 s SER 154 Cb -0.06 -0.92 0.02 0.00 -1.71 0.00 0.00 66.02 63.35 1x51 s SER 154 CO -0.18 -0.24 0.56 0.61 1.20 0.00 0.00 173.24 175.19