#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x51 s SER 2 N 0.00 1.68 0.72 1.61 1.04 -1.26 -5.14 113.70 112.35 1x51 s SER 2 Ca 0.00 -0.24 -0.16 0.00 0.48 0.00 0.00 55.95 56.03 1x51 s SER 2 Cb 0.00 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1x51 s SER 2 CO 0.00 -0.30 0.83 -0.24 0.98 0.00 0.00 173.24 174.50 1x51 n SER 3 N 5.30 -0.07 0.00 7.02 2.88 -1.26 -4.91 113.62 122.58 1x51 n SER 3 Ca -0.05 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1x51 n SER 3 Cb 0.49 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1x51 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x51 n GLY 4 N 1.26 3.48 3.62 0.46 0.00 -1.26 -5.14 105.19 107.61 1x51 n GLY 4 Ca 0.12 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 1x51 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x51 s SER 5 N 0.00 -0.87 -1.13 1.61 0.15 -1.26 -5.09 113.70 107.11 1x51 s SER 5 Ca 0.00 1.47 -0.08 0.00 0.70 0.00 0.00 55.95 58.04 1x51 s SER 5 Cb 0.00 1.38 0.27 0.00 -1.71 0.00 0.00 66.02 65.96 1x51 s SER 5 CO 0.00 -0.24 1.35 -1.20 1.20 0.00 0.00 173.24 174.35 1x51 n SER 6 N 3.89 5.81 0.00 5.45 7.64 -1.26 -4.98 113.62 130.18 1x51 n SER 6 Ca -0.19 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.51 1x51 n SER 6 Cb 0.58 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1x51 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x51 n GLY 7 N 2.30 -0.89 3.65 0.23 0.00 -1.26 -4.86 105.19 104.35 1x51 n GLY 7 Ca 0.27 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1x51 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x51 s PRO 8 N 0.00 4.08 0.00 1.61 0.04 -1.26 -4.95 135.00 134.52 1x51 s PRO 8 Ca 0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1x51 s PRO 8 Cb 0.00 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1x51 s PRO 8 CO 0.00 -0.95 0.79 0.54 0.04 0.00 0.00 177.00 177.42 1x51 n ARG 9 N 7.16 0.00 -0.44 4.56 5.12 -1.26 -0.73 116.66 131.07 1x51 n ARG 9 Ca 0.17 0.58 0.39 0.00 -1.93 0.00 0.00 57.85 57.06 1x51 n ARG 9 Cb 0.44 -1.29 0.60 0.00 -1.16 0.00 0.00 32.46 31.05 1x51 n ARG 9 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1x51 n LYS 10 N -1.82 0.01 -3.59 5.56 0.00 -1.26 -1.35 118.16 115.70 1x51 n LYS 10 Ca 0.00 1.02 -0.27 0.00 -0.00 0.00 0.00 58.31 59.06 1x51 n LYS 10 Cb 0.00 -2.46 -0.10 0.00 -0.00 0.00 0.00 35.03 32.48 1x51 n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x51 n ALA 11 N -2.53 3.76 -0.07 0.58 0.00 0.09 -4.89 120.51 117.44 1x51 n ALA 11 Ca 0.32 -4.61 -0.12 0.00 0.00 0.00 0.00 53.44 49.03 1x51 n ALA 11 Cb 1.72 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 20.12 1x51 n ALA 11 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x51 h SER 12 N 4.65 0.00 0.38 0.00 0.02 -0.86 -3.37 113.55 114.37 1x51 h SER 12 Ca 0.18 -0.81 -0.32 0.00 -0.84 0.00 0.00 61.79 60.00 1x51 h SER 12 Cb 0.71 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.27 1x51 h SER 12 CO 0.77 0.96 -1.41 0.03 -1.14 0.00 0.00 176.83 176.04 1x51 h ARG 13 N -1.00 0.46 -6.25 3.45 3.08 -1.89 -3.47 114.38 108.76 1x51 h ARG 13 Ca -0.02 -0.78 -0.46 0.00 0.07 0.00 0.00 59.98 58.79 1x51 h ARG 13 Cb 0.87 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1x51 h ARG 13 CO -0.01 1.38 -0.40 0.15 -1.07 0.00 0.00 179.97 180.02 1x51 s LYS 14 N -2.62 3.23 1.01 0.04 1.02 -1.26 -5.11 119.74 116.05 1x51 s LYS 14 Ca -0.07 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 54.87 1x51 s LYS 14 Cb 0.05 -2.82 0.19 0.00 -0.52 0.00 0.00 37.83 34.74 1x51 s LYS 14 CO 0.93 0.24 1.09 -1.25 -0.92 0.00 0.00 175.35 175.45 1x51 s PRO 15 N -4.06 0.34 0.45 -1.68 0.04 -1.26 -4.62 135.00 124.20 1x51 s PRO 15 Ca 0.39 0.49 0.23 0.00 0.04 0.00 0.00 61.00 62.15 1x51 s PRO 15 Cb -0.09 -1.73 1.00 0.00 0.04 0.00 0.00 34.50 33.72 1x51 s PRO 15 CO 0.30 -2.79 1.87 -1.00 0.04 0.00 0.00 177.00 175.42 1x51 h PRO 16 N -1.93 0.00 -0.56 0.56 0.13 -1.93 -3.31 132.00 124.96 1x51 h PRO 16 Ca -0.55 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1x51 h PRO 16 Cb 1.33 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.40 1x51 h PRO 16 CO 0.58 0.24 -0.33 0.54 -0.23 0.00 0.00 178.00 178.79 1x51 n ARG 17 N -3.52 -0.25 -2.51 0.86 1.74 -1.26 -3.50 116.66 108.23 1x51 n ARG 17 Ca -0.01 1.18 -0.41 0.00 -0.77 0.00 0.00 57.85 57.85 1x51 n ARG 17 Cb 0.39 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 1x51 n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1x51 s GLU 18 N -4.52 3.15 -0.18 5.56 2.02 -1.25 -2.68 118.70 120.80 1x51 s GLU 18 Ca -0.07 -0.14 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 1x51 s GLU 18 Cb 0.06 -4.19 0.09 0.00 0.10 0.00 0.00 34.13 30.19 1x51 s GLU 18 CO 0.35 -2.18 0.26 -1.21 0.02 0.00 0.00 175.26 172.49 1x51 s GLU 19 N 5.82 0.20 0.02 1.61 2.02 -1.23 -4.92 118.70 122.22 1x51 s GLU 19 Ca 0.38 0.44 0.07 0.00 0.02 0.00 0.00 54.97 55.88 1x51 s GLU 19 Cb -0.08 -0.70 -0.02 0.00 0.10 0.00 0.00 34.13 33.42 1x51 s GLU 19 CO 0.16 -0.53 -0.22 -1.12 0.02 0.00 0.00 175.26 173.57 1x51 s SER 20 N 2.39 2.62 0.07 -0.19 0.01 -1.26 -2.00 113.70 115.35 1x51 s SER 20 Ca 0.06 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 56.70 1x51 s SER 20 Cb -0.14 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.86 1x51 s SER 20 CO -0.11 0.22 0.31 -0.44 0.41 0.00 0.00 173.24 173.62 1x51 s SER 21 N -0.93 -0.10 -0.27 2.44 0.01 -0.78 -2.94 113.70 111.13 1x51 s SER 21 Ca 0.09 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1x51 s SER 21 Cb -0.09 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.60 1x51 s SER 21 CO 0.01 -0.70 -0.04 0.00 0.41 0.00 0.00 173.24 172.92 1x51 s ALA 22 N -3.16 2.29 0.03 1.44 0.00 -0.84 -1.44 121.76 120.08 1x51 s ALA 22 Ca -0.01 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.24 1x51 s ALA 22 Cb 0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1x51 s ALA 22 CO -0.07 -1.32 0.09 -0.08 0.00 0.00 0.00 175.76 174.38 1x51 s THR 23 N 1.23 4.71 0.10 0.00 -1.32 -0.92 -1.98 115.64 117.46 1x51 s THR 23 Ca -0.02 -0.54 0.05 0.00 -1.21 0.00 0.00 61.69 59.97 1x51 s THR 23 Cb -0.19 -3.21 -0.03 0.00 -1.51 0.00 0.00 72.50 67.55 1x51 s THR 23 CO -0.08 0.25 -0.13 0.00 -2.21 0.00 0.00 174.62 172.45 1x51 s VAL 25 N -1.93 5.15 -0.39 0.00 1.01 0.13 -4.42 120.40 119.95 1x51 s VAL 25 Ca 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1x51 s VAL 25 Cb -0.06 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1x51 s VAL 25 CO 0.02 0.37 0.21 -0.22 0.00 0.00 0.00 175.10 175.48 1x51 s LEU 26 N 0.95 4.88 0.03 3.92 2.96 -1.24 -0.63 118.68 129.55 1x51 s LEU 26 Ca 0.07 -1.37 0.08 0.00 -0.22 0.00 0.00 54.13 52.68 1x51 s LEU 26 Cb -0.13 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1x51 s LEU 26 CO 0.03 -0.46 -0.22 -0.70 -1.32 0.00 0.00 176.35 173.68 1x51 s GLU 27 N 1.42 2.00 -0.12 1.98 2.56 -0.39 -1.66 118.70 124.50 1x51 s GLU 27 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 54.97 53.86 1x51 s GLU 27 Cb -0.22 -2.10 0.03 0.00 2.00 0.00 0.00 34.13 33.85 1x51 s GLU 27 CO 0.03 0.54 0.34 1.14 -0.56 0.00 0.00 175.26 176.74 1x51 s GLN 28 N -1.18 0.43 0.15 4.30 -2.07 -0.77 -1.17 119.66 119.36 1x51 s GLN 28 Ca 0.12 0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 53.77 1x51 s GLN 28 Cb -0.10 0.21 -0.08 0.00 -1.09 0.00 0.00 33.01 31.94 1x51 s GLN 28 CO 0.03 -0.06 1.33 -1.25 -1.32 0.00 0.00 175.29 174.01 1x51 s PRO 29 N 0.02 4.37 0.00 9.60 0.04 -1.26 -0.71 135.00 147.06 1x51 s PRO 29 Ca -0.01 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1x51 s PRO 29 Cb -0.03 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1x51 s PRO 29 CO 0.01 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1x51 n GLY 30 N 2.87 2.85 0.08 0.56 0.00 0.21 -4.86 105.19 106.91 1x51 n GLY 30 Ca 0.08 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.23 0.11 0.20 4.61 0.00 -1.97 -3.39 119.26 118.58 1x51 h ALA 31 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 54.91 53.85 1x51 h ALA 31 Cb 0.00 0.35 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1x51 h ALA 31 CO 0.00 0.33 -1.33 -0.07 0.00 0.00 0.00 179.25 178.18 1x51 h LEU 32 N -1.00 0.82 0.00 0.00 3.38 -2.02 -3.49 115.31 113.01 1x51 h LEU 32 Ca -0.14 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.93 1x51 h LEU 32 Cb 1.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1x51 h LEU 32 CO -0.09 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.70 1x51 n GLY 33 N 1.60 -1.08 3.36 0.83 0.00 -1.26 -5.18 105.19 103.46 1x51 n GLY 33 Ca -0.16 0.57 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.21 -0.06 4.61 0.00 -1.26 0.67 121.76 123.51 1x51 s ALA 34 Ca 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.02 1x51 s ALA 34 Cb 0.00 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1x51 s ALA 34 CO 0.00 -0.67 0.35 1.14 0.00 0.00 0.00 175.76 176.58 1x51 s GLN 35 N -3.65 0.60 0.57 0.00 0.00 0.11 -4.56 119.66 112.74 1x51 s GLN 35 Ca 0.01 0.09 0.07 0.00 -0.00 0.00 0.00 55.36 55.54 1x51 s GLN 35 Cb 0.01 0.28 0.08 0.00 0.00 0.00 0.00 33.01 33.37 1x51 s GLN 35 CO -0.11 -0.14 0.79 0.96 0.00 0.00 0.00 175.29 176.78 1x51 s ILE 36 N -0.77 2.30 0.05 3.63 -4.36 0.16 -1.84 121.20 120.37 1x51 s ILE 36 Ca -0.09 -0.92 0.04 0.00 -0.26 0.00 0.00 60.65 59.42 1x51 s ILE 36 Cb -0.04 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.26 1x51 s ILE 36 CO 0.03 0.00 -0.03 -0.22 0.24 0.00 0.00 174.94 174.97 1x51 s LEU 37 N -4.70 3.37 -0.07 0.37 2.96 -0.66 -1.46 118.68 118.49 1x51 s LEU 37 Ca 0.61 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1x51 s LEU 37 Cb -0.06 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.63 1x51 s LEU 37 CO 0.39 0.22 0.13 -0.22 -1.32 0.00 0.00 176.35 175.55 1x51 s LEU 38 N -1.95 0.17 0.23 -0.68 2.96 0.12 -4.73 118.68 114.81 1x51 s LEU 38 Ca 0.22 0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.46 1x51 s LEU 38 Cb -0.11 0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.73 1x51 s LEU 38 CO 0.14 -0.22 0.16 0.68 -1.32 0.00 0.00 176.35 175.79 1x51 s VAL 39 N 2.01 4.36 -0.13 1.68 -7.23 -0.18 -0.49 120.40 120.41 1x51 s VAL 39 Ca 0.01 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1x51 s VAL 39 Cb -0.12 -3.33 0.02 0.00 0.56 0.00 0.00 36.38 33.51 1x51 s VAL 39 CO -0.05 -0.30 -0.15 -1.58 -0.31 0.00 0.00 175.10 172.71 1x51 s GLN 40 N -3.67 2.34 0.80 4.82 0.74 -1.19 -0.62 119.66 122.89 1x51 s GLN 40 Ca 0.32 -0.59 -0.12 0.00 0.05 0.00 0.00 55.36 55.02 1x51 s GLN 40 Cb -0.08 -2.06 0.08 0.00 1.10 0.00 0.00 33.01 32.05 1x51 s GLN 40 CO 0.24 -0.15 1.15 1.03 -0.55 0.00 0.00 175.29 177.01 1x51 s ARG 41 N 1.25 1.81 0.00 1.67 3.00 -1.25 -4.90 118.95 120.52 1x51 s ARG 41 Ca -0.00 1.51 0.00 0.00 0.00 0.00 0.00 55.73 57.24 1x51 s ARG 41 Cb -0.14 -1.82 0.00 0.00 0.00 0.00 0.00 34.95 32.99 1x51 s ARG 41 CO -0.07 -2.04 0.00 -0.35 0.00 0.00 0.00 175.30 172.85 1x51 n PRO 42 N -3.44 -0.57 -1.16 3.54 -0.04 -1.26 -2.74 135.00 129.33 1x51 n PRO 42 Ca 0.12 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.32 1x51 n PRO 42 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 1x51 n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1x51 n ASN 43 N -2.32 7.03 0.01 3.54 5.15 -1.26 -3.12 115.26 124.28 1x51 n ASN 43 Ca 0.00 -2.53 -0.12 0.00 -0.60 0.00 0.00 54.58 51.32 1x51 n ASN 43 Cb 0.00 -1.49 -0.06 0.00 -0.53 0.00 0.00 39.78 37.70 1x51 n ASN 43 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1x51 h SER 44 N 4.00 -1.29 0.00 1.20 4.64 -1.90 -3.48 113.55 116.72 1x51 h SER 44 Ca 0.54 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1x51 h SER 44 Cb 0.89 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1x51 h SER 44 CO 1.02 -0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 1x51 n GLY 45 N -1.44 1.41 0.00 -0.77 0.00 -1.26 -4.88 105.19 98.25 1x51 n GLY 45 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1x51 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x51 n LEU 46 N 0.00 0.00 -4.52 0.99 4.77 -1.26 -3.32 117.00 113.66 1x51 n LEU 46 Ca 0.00 0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 56.29 1x51 n LEU 46 Cb 0.00 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1x51 n LEU 46 CO 0.00 -0.24 1.90 -0.11 -1.33 0.00 0.00 177.39 177.61 1x51 n LEU 47 N -1.69 5.08 -4.35 2.23 7.94 -1.26 -4.93 117.00 120.03 1x51 n LEU 47 Ca 0.00 -4.04 -0.18 0.00 -1.11 0.00 0.00 56.01 50.68 1x51 n LEU 47 Cb 0.00 -1.72 -0.10 0.00 0.53 0.00 0.00 43.42 42.13 1x51 n LEU 47 CO 0.00 0.31 -0.33 0.00 -1.11 0.00 0.00 177.39 176.26 1x51 s ALA 48 N 3.64 1.90 -1.13 1.96 0.00 -1.21 -4.82 121.76 122.10 1x51 s ALA 48 Ca 0.51 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 1x51 s ALA 48 Cb 0.03 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1x51 s ALA 48 CO 0.06 -0.24 0.18 0.41 0.00 0.00 0.00 175.76 176.17 1x51 n GLY 49 N -0.45 -0.17 3.62 0.00 0.00 -1.11 -5.00 105.19 102.07 1x51 n GLY 49 Ca -0.05 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.31 3.49 0.17 0.99 2.01 -1.26 -4.91 118.68 114.85 1x51 s LEU 50 Ca 0.09 0.05 -0.30 0.00 0.01 0.00 0.00 54.13 53.98 1x51 s LEU 50 Cb -0.04 -1.81 -0.08 0.00 0.01 0.00 0.00 46.19 44.27 1x51 s LEU 50 CO 0.11 0.30 1.24 0.26 1.01 0.00 0.00 176.35 179.27 1x51 s TRP 51 N -0.42 3.38 0.01 0.29 0.52 -0.91 -3.74 118.94 118.08 1x51 s TRP 51 Ca 0.07 1.33 -0.29 0.00 0.02 0.00 0.00 56.10 57.24 1x51 s TRP 51 Cb -0.12 -3.49 0.10 0.00 -1.15 0.00 0.00 33.47 28.81 1x51 s TRP 51 CO 0.02 -1.45 1.06 -1.83 0.02 0.00 0.00 176.95 174.77 1x51 s GLU 52 N 0.04 0.76 0.50 4.98 -1.05 0.21 -4.04 118.70 120.09 1x51 s GLU 52 Ca 0.55 -0.37 -0.21 0.00 -0.15 0.00 0.00 54.97 54.79 1x51 s GLU 52 Cb -0.33 0.29 -0.07 0.00 -0.44 0.00 0.00 34.13 33.58 1x51 s GLU 52 CO 0.36 -0.34 1.14 -0.06 0.95 0.00 0.00 175.26 177.30 1x51 s PHE 53 N -2.90 2.80 0.37 4.83 0.08 -1.26 -1.01 117.98 120.89 1x51 s PHE 53 Ca 0.10 1.54 -0.27 0.00 0.12 0.00 0.00 56.93 58.43 1x51 s PHE 53 Cb 0.00 -3.32 -0.09 0.00 -0.57 0.00 0.00 43.02 39.05 1x51 s PHE 53 CO -0.03 -1.48 1.20 -1.25 -0.10 0.00 0.00 175.22 173.56 1x51 s PRO 54 N -2.98 4.18 0.07 0.24 0.04 -1.26 -4.86 135.00 130.42 1x51 s PRO 54 Ca 0.68 1.94 -0.06 0.00 0.04 0.00 0.00 61.00 63.60 1x51 s PRO 54 Cb -0.26 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 1x51 s PRO 54 CO 0.30 -0.24 0.10 -1.54 0.04 0.00 0.00 177.00 175.67 1x51 s SER 55 N -0.93 0.25 0.44 6.66 1.04 -1.26 -2.86 113.70 117.04 1x51 s SER 55 Ca 0.54 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 56.25 1x51 s SER 55 Cb -0.33 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1x51 s SER 55 CO 0.43 -0.65 0.06 0.68 0.98 0.00 0.00 173.24 174.73 1x51 s VAL 56 N -3.68 1.04 0.48 5.02 -7.23 -0.84 -4.93 120.40 110.26 1x51 s VAL 56 Ca 0.04 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 1x51 s VAL 56 Cb 0.05 -2.38 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 1x51 s VAL 56 CO -0.10 0.00 1.39 0.42 -0.31 0.00 0.00 175.10 176.50 1x51 s THR 57 N -3.02 2.16 0.40 5.32 -4.23 -1.26 -1.99 115.64 113.01 1x51 s THR 57 Ca 0.18 0.13 -0.27 0.00 -1.18 0.00 0.00 61.69 60.56 1x51 s THR 57 Cb 0.04 -3.07 -0.09 0.00 1.34 0.00 0.00 72.50 70.71 1x51 s THR 57 CO 0.10 0.01 1.37 0.86 -0.54 0.00 0.00 174.62 176.42 1x51 s TRP 58 N -1.25 2.71 -0.05 3.99 -0.00 -1.15 -4.58 118.94 118.61 1x51 s TRP 58 Ca 0.64 1.33 0.05 0.00 -0.00 0.00 0.00 56.10 58.11 1x51 s TRP 58 Cb -0.42 -3.81 -0.00 0.00 -0.00 0.00 0.00 33.47 29.24 1x51 s TRP 58 CO 0.52 -2.45 -0.20 -1.21 -0.00 0.00 0.00 176.95 173.61 1x51 s GLU 59 N -2.20 2.04 0.36 5.86 0.41 -1.26 -5.01 118.70 118.90 1x51 s GLU 59 Ca 0.56 -0.70 0.15 0.00 -0.41 0.00 0.00 54.97 54.57 1x51 s GLU 59 Cb -0.41 -1.75 0.67 0.00 -1.78 0.00 0.00 34.13 30.86 1x51 s GLU 59 CO 0.54 0.28 1.77 -1.00 -0.49 0.00 0.00 175.26 176.36 1x51 h PRO 60 N 6.22 0.00 -6.39 0.39 0.13 -1.98 -3.44 132.00 126.94 1x51 h PRO 60 Ca -0.32 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 1x51 h PRO 60 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1x51 h PRO 60 CO 0.48 0.42 -0.17 0.45 -0.23 0.00 0.00 178.00 178.94 1x51 s SER 61 N -6.72 6.53 0.31 1.44 0.15 -1.26 -4.99 113.70 109.16 1x51 s SER 61 Ca -0.02 0.76 0.11 0.00 0.70 0.00 0.00 55.95 57.51 1x51 s SER 61 Cb 0.13 -2.16 0.49 0.00 -1.71 0.00 0.00 66.02 62.77 1x51 s SER 61 CO 0.71 -0.08 1.69 -0.08 1.20 0.00 0.00 173.24 176.68 1x51 h GLU 62 N 2.31 0.01 0.00 5.44 4.57 -2.01 -3.04 114.58 121.85 1x51 h GLU 62 Ca -0.47 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1x51 h GLU 62 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1x51 h GLU 62 CO 0.69 0.53 -0.07 0.37 -1.18 0.00 0.00 179.01 179.34 1x51 h GLN 63 N 0.01 0.00 -0.96 1.92 5.75 -1.96 -3.32 115.11 116.54 1x51 h GLN 63 Ca -0.00 0.00 0.36 0.00 -0.15 0.00 0.00 58.65 58.86 1x51 h GLN 63 Cb 0.93 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.30 1x51 h GLN 63 CO 0.07 0.00 0.37 1.28 -2.65 0.00 0.00 178.83 177.90 1x51 n LEU 64 N -4.41 0.20 0.02 -2.39 4.32 -1.25 0.65 117.00 114.14 1x51 n LEU 64 Ca -0.01 1.60 -0.10 0.00 -0.02 0.00 0.00 56.01 57.48 1x51 n LEU 64 Cb 0.04 -0.72 -0.04 0.00 -1.62 0.00 0.00 43.42 41.08 1x51 n LEU 64 CO 0.02 -1.74 0.76 -0.61 -1.22 0.00 0.00 177.39 174.59 1x51 h GLN 65 N 0.00 -0.20 -0.04 3.23 -0.00 -1.67 -1.14 115.11 115.29 1x51 h GLN 65 Ca 0.74 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 59.40 1x51 h GLN 65 Cb 1.87 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 29.39 1x51 h GLN 65 CO -0.79 -0.13 -0.02 0.00 0.00 0.00 0.00 178.83 177.89 1x51 h ARG 66 N -0.21 0.08 -0.49 1.69 3.08 0.11 0.21 114.38 118.85 1x51 h ARG 66 Ca 0.08 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.17 1x51 h ARG 66 Cb 0.32 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.27 1x51 h ARG 66 CO -0.21 0.46 -0.47 0.87 -1.07 0.00 0.00 179.97 179.55 1x51 h LYS 67 N -0.30 -0.29 -0.02 0.04 1.57 -0.71 -0.25 116.57 116.61 1x51 h LYS 67 Ca 0.01 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x51 h LYS 67 Cb 0.43 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1x51 h LYS 67 CO 0.01 -0.19 -0.03 0.00 -0.57 0.00 0.00 179.45 178.66 1x51 h ALA 68 N 0.39 0.03 -0.98 3.86 0.00 -1.26 -2.86 119.26 118.44 1x51 h ALA 68 Ca 0.14 -0.28 0.29 0.00 0.00 0.00 0.00 54.91 55.06 1x51 h ALA 68 Cb 0.58 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.18 1x51 h ALA 68 CO -0.64 -0.17 0.13 1.25 0.00 0.00 0.00 179.25 179.82 1x51 h LEU 69 N -0.45 -0.30 0.06 0.00 5.85 -0.10 0.19 115.31 120.55 1x51 h LEU 69 Ca 0.00 0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1x51 h LEU 69 Cb 0.58 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1x51 h LEU 69 CO 0.01 -0.35 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.66 1x51 h LEU 70 N 0.03 -0.07 -0.85 2.25 3.38 -1.07 -3.12 115.31 115.86 1x51 h LEU 70 Ca 0.64 -0.43 0.32 0.00 0.09 0.00 0.00 57.88 58.49 1x51 h LEU 70 Cb 1.39 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 42.01 1x51 h LEU 70 CO -0.87 0.41 0.32 0.00 0.09 0.00 0.00 178.44 178.39 1x51 n GLN 71 N -4.90 -0.06 0.16 1.13 1.13 0.61 0.22 117.38 115.68 1x51 n GLN 71 Ca -0.08 1.20 -0.12 0.00 -1.94 0.00 0.00 57.00 56.05 1x51 n GLN 71 Cb 0.25 -2.08 -0.07 0.00 0.11 0.00 0.00 30.24 28.46 1x51 n GLN 71 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1x51 h GLU 72 N 0.00 -0.43 -0.80 -1.09 4.57 -1.44 -3.14 114.58 112.26 1x51 h GLU 72 Ca 0.66 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 59.05 1x51 h GLU 72 Cb 1.65 0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 30.19 1x51 h GLU 72 CO -0.70 -0.10 0.02 -0.07 -1.18 0.00 0.00 179.01 176.98 1x51 h LEU 73 N -0.90 -0.35 -0.79 1.64 3.38 -0.17 0.29 115.31 118.42 1x51 h LEU 73 Ca -0.05 0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.26 1x51 h LEU 73 Cb 0.52 0.36 -0.09 0.00 0.09 0.00 0.00 40.66 41.55 1x51 h LEU 73 CO 0.07 -0.20 0.38 1.56 0.09 0.00 0.00 178.44 180.35 1x51 h GLN 74 N 0.10 0.56 -0.92 1.13 4.20 -1.19 0.93 115.11 119.92 1x51 h GLN 74 Ca 0.44 -0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.34 1x51 h GLN 74 Cb 0.80 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 1x51 h GLN 74 CO -0.70 0.37 0.62 0.00 -0.67 0.00 0.00 178.83 178.45 1x51 h ARG 75 N 0.58 0.31 0.00 1.46 3.08 -0.36 -1.28 114.38 118.17 1x51 h ARG 75 Ca 0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1x51 h ARG 75 Cb 0.56 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1x51 h ARG 75 CO -0.34 0.21 0.00 0.91 -1.07 0.00 0.00 179.97 179.67 1x51 n TRP 76 N -4.48 0.00 0.00 3.04 7.02 0.17 -4.79 117.44 118.41 1x51 n TRP 76 Ca 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 1x51 n TRP 76 Cb 0.78 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1x51 n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1x51 n ALA 77 N -2.06 -0.04 0.00 6.99 0.00 -0.33 -3.80 120.51 121.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.78 0.11 3.59 0.00 0.00 -0.49 -4.50 105.19 105.69 1x51 n GLY 78 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.07 1.61 0.04 -1.26 -4.10 135.00 134.49 1x51 s PRO 79 Ca 0.00 1.19 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 2.05 1.12 -3.56 2.01 -1.26 -5.03 118.68 120.96 1x51 s LEU 80 Ca 0.74 -0.51 -0.16 0.00 0.01 0.00 0.00 54.13 54.20 1x51 s LEU 80 Cb -0.19 -1.34 0.25 0.00 0.01 0.00 0.00 46.19 44.92 1x51 s LEU 80 CO 0.31 0.20 1.10 -2.16 1.01 0.00 0.00 176.35 176.82 1x51 s PRO 81 N 0.05 -0.60 0.01 1.29 0.04 -1.26 -5.04 135.00 129.49 1x51 s PRO 81 Ca -0.09 0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 1x51 s PRO 81 Cb -0.15 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1x51 s PRO 81 CO 0.06 -3.34 -0.03 0.00 0.04 0.00 0.00 177.00 173.73 1x51 n ALA 82 N -4.54 2.86 0.00 8.56 0.00 -1.26 -4.71 120.51 121.42 1x51 n ALA 82 Ca 0.10 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1x51 n ALA 82 Cb 0.59 0.41 -0.09 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.07 1.25 -0.97 0.00 2.02 -2.03 -3.08 112.91 110.02 1x51 h THR 83 Ca -0.04 -0.74 0.31 0.00 0.77 0.00 0.00 66.41 66.72 1x51 h THR 83 Cb 0.79 1.72 -0.17 0.00 -1.74 0.00 0.00 68.15 68.75 1x51 h THR 83 CO -0.02 0.19 0.26 0.45 0.37 0.00 0.00 175.52 176.77 1x51 h HIS 84 N -0.28 0.36 -2.35 3.16 -0.00 -1.95 -3.40 115.15 110.69 1x51 h HIS 84 Ca 0.00 0.06 -0.61 0.00 -0.00 0.00 0.00 60.37 59.82 1x51 h HIS 84 Cb 0.32 0.00 0.08 0.00 -0.00 0.00 0.00 27.41 27.81 1x51 h HIS 84 CO 0.03 -0.39 0.47 -0.11 -0.00 0.00 0.00 177.93 177.94 1x51 n LEU 85 N -5.34 2.43 -3.68 2.43 7.94 -1.17 -4.79 117.00 114.82 1x51 n LEU 85 Ca 0.28 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 56.20 1x51 n LEU 85 Cb 0.92 -1.34 -0.09 0.00 0.53 0.00 0.00 43.42 43.44 1x51 n LEU 85 CO -0.01 -0.83 0.21 -0.13 -1.11 0.00 0.00 177.39 175.53 1x51 s ARG 86 N -0.34 0.60 -0.08 1.96 0.52 -1.08 -5.02 118.95 115.51 1x51 s ARG 86 Ca 0.71 0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 56.44 1x51 s ARG 86 Cb -0.74 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 34.93 1x51 s ARG 86 CO 0.50 -0.10 1.22 -1.58 0.02 0.00 0.00 175.30 175.36 1x51 s HIS 87 N 0.66 3.11 -0.42 -0.53 5.65 -1.26 -1.41 115.29 121.08 1x51 s HIS 87 Ca -0.03 1.16 0.02 0.00 0.25 0.00 0.00 55.06 56.46 1x51 s HIS 87 Cb -0.05 -3.44 0.13 0.00 -1.18 0.00 0.00 32.58 28.04 1x51 s HIS 87 CO -0.04 -1.42 0.21 -0.51 -0.65 0.00 0.00 174.74 172.32 1x51 s LEU 88 N 2.50 2.92 0.00 8.88 1.43 -0.73 -4.94 118.68 128.74 1x51 s LEU 88 Ca 0.56 -2.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.15 1x51 s LEU 88 Cb -0.24 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1x51 s LEU 88 CO 0.20 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1x51 n GLY 89 N 3.72 -1.90 3.54 -3.19 0.00 -1.26 -4.34 105.19 101.75 1x51 n GLY 89 Ca 0.06 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.37 1.55 -0.22 1.61 1.03 -1.26 -3.15 118.70 117.89 1x51 s GLU 90 Ca 0.00 -1.35 -0.04 0.00 0.03 0.00 0.00 54.97 53.61 1x51 s GLU 90 Cb 0.00 0.45 0.08 0.00 -0.80 0.00 0.00 34.13 33.85 1x51 s GLU 90 CO 0.00 -0.63 0.10 0.08 -1.33 0.00 0.00 175.26 173.48 1x51 s VAL 91 N -3.92 0.02 -0.32 1.83 1.01 -0.67 -4.84 120.40 113.51 1x51 s VAL 91 Ca 0.25 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1x51 s VAL 91 Cb 0.00 -0.80 0.09 0.00 0.00 0.00 0.00 36.38 35.67 1x51 s VAL 91 CO 0.10 -0.44 0.01 -0.69 0.00 0.00 0.00 175.10 174.08 1x51 s VAL 92 N 2.08 2.17 -0.44 2.92 1.01 -1.26 -0.71 120.40 126.17 1x51 s VAL 92 Ca 0.04 -2.11 -0.16 0.00 0.00 0.00 0.00 61.98 59.75 1x51 s VAL 92 Cb -0.16 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.73 1x51 s VAL 92 CO -0.19 -0.46 0.40 -2.28 0.00 0.00 0.00 175.10 172.58 1x51 s HIS 93 N 0.99 3.20 -0.52 5.22 2.46 -1.19 -4.98 115.29 120.47 1x51 s HIS 93 Ca 0.06 -0.57 -0.28 0.00 0.47 0.00 0.00 55.06 54.74 1x51 s HIS 93 Cb -0.19 -2.92 0.03 0.00 -0.13 0.00 0.00 32.58 29.37 1x51 s HIS 93 CO -0.08 -0.72 1.10 0.99 -2.47 0.00 0.00 174.74 173.56 1x51 s THR 94 N 1.94 4.19 0.91 0.89 2.01 -1.26 -3.00 115.64 121.32 1x51 s THR 94 Ca 0.08 0.92 -0.13 0.00 0.31 0.00 0.00 61.69 62.88 1x51 s THR 94 Cb -0.19 -4.62 0.19 0.00 0.01 0.00 0.00 72.50 67.88 1x51 s THR 94 CO 0.11 -1.13 1.26 -0.36 -0.69 0.00 0.00 174.62 173.81 1x51 s PHE 95 N 4.49 1.55 0.01 4.92 0.08 0.31 -4.98 117.98 124.34 1x51 s PHE 95 Ca 0.42 0.17 -0.02 0.00 0.12 0.00 0.00 56.93 57.62 1x51 s PHE 95 Cb -0.08 -3.88 -0.01 0.00 -0.57 0.00 0.00 43.02 38.48 1x51 s PHE 95 CO 0.27 -2.47 1.03 1.03 -0.10 0.00 0.00 175.22 174.98 1x51 h SER 96 N -1.41 -0.09 -0.10 1.36 0.87 -2.05 -3.26 113.55 108.87 1x51 h SER 96 Ca -0.42 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.10 1x51 h SER 96 Cb 1.24 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1x51 h SER 96 CO 0.38 -0.03 -0.37 0.00 -0.53 0.00 0.00 176.83 176.28 1x51 n HIS 97 N -2.71 0.30 -3.80 2.24 1.44 -1.26 -5.01 115.22 106.43 1x51 n HIS 97 Ca -0.00 -1.52 -0.12 0.00 -2.01 0.00 0.00 57.72 54.06 1x51 n HIS 97 Cb 0.02 -0.32 -0.11 0.00 0.12 0.00 0.00 29.99 29.71 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 -3.23 0.03 -0.16 0.61 1.01 -1.23 -4.47 121.20 113.75 1x51 s ILE 98 Ca 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 1x51 s ILE 98 Cb 0.38 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 42.46 1x51 s ILE 98 CO -0.05 -0.15 -0.08 -0.75 0.00 0.00 0.00 174.94 173.91 1x51 s LYS 99 N -0.56 1.65 0.01 2.79 2.36 -1.09 0.11 119.74 125.01 1x51 s LYS 99 Ca -0.07 -0.53 -0.00 0.00 -2.55 0.00 0.00 55.97 52.82 1x51 s LYS 99 Cb -0.04 -2.01 -0.04 0.00 -1.05 0.00 0.00 37.83 34.69 1x51 s LYS 99 CO 0.01 -0.38 0.10 -0.51 1.55 0.00 0.00 175.35 176.13 1x51 s LEU 100 N 1.59 3.99 -0.33 5.43 2.01 -1.16 -3.72 118.68 126.49 1x51 s LEU 100 Ca 0.02 0.17 -0.00 0.00 0.01 0.00 0.00 54.13 54.33 1x51 s LEU 100 Cb -0.15 -2.38 0.11 0.00 0.01 0.00 0.00 46.19 43.78 1x51 s LEU 100 CO -0.08 0.26 0.13 -0.89 1.01 0.00 0.00 176.35 176.78 1x51 s THR 101 N -1.25 0.87 -0.01 5.49 2.01 -0.85 -3.15 115.64 118.75 1x51 s THR 101 Ca 0.25 -1.58 -0.05 0.00 0.31 0.00 0.00 61.69 60.62 1x51 s THR 101 Cb -0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1x51 s THR 101 CO 0.16 -0.74 0.22 -0.31 -0.69 0.00 0.00 174.62 173.26 1x51 s TYR 102 N 1.39 3.57 -0.30 4.92 1.51 0.12 -1.87 117.35 126.69 1x51 s TYR 102 Ca 0.12 0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 56.57 1x51 s TYR 102 Cb -0.19 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1x51 s TYR 102 CO -0.20 0.64 0.11 -0.65 -1.11 0.00 0.00 175.55 174.34 1x51 s GLN 103 N -1.76 3.22 -0.06 -0.62 -1.52 -0.52 -1.67 119.66 116.72 1x51 s GLN 103 Ca 0.26 -0.78 -0.30 0.00 -1.95 0.00 0.00 55.36 52.59 1x51 s GLN 103 Cb -0.13 -3.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.17 1x51 s GLN 103 CO 0.16 -0.42 1.24 0.08 -0.25 0.00 0.00 175.29 176.10 1x51 s VAL 104 N 1.55 4.18 -0.03 1.09 1.01 -1.19 -2.17 120.40 124.85 1x51 s VAL 104 Ca 0.04 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1x51 s VAL 104 Cb -0.17 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1x51 s VAL 104 CO 0.04 -0.02 -0.09 -0.31 0.00 0.00 0.00 175.10 174.72 1x51 s TYR 105 N 2.45 1.00 -0.14 5.22 2.02 -0.80 -1.76 117.35 125.34 1x51 s TYR 105 Ca 0.57 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.98 1x51 s TYR 105 Cb -0.25 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 1x51 s TYR 105 CO 0.21 -0.12 -0.05 0.20 -1.57 0.00 0.00 175.55 174.22 1x51 s GLY 106 N 0.27 1.70 -0.14 0.71 0.00 -0.50 0.19 107.32 109.56 1x51 s GLY 106 Ca -0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 44.72 43.79 1x51 s GLY 106 CO 0.01 -0.19 0.28 -2.27 0.00 0.00 0.00 173.10 170.93 1x51 s LEU 107 N 0.14 -0.35 0.04 0.66 1.98 0.20 -2.62 118.68 118.72 1x51 s LEU 107 Ca -0.02 0.65 0.01 0.00 -2.89 0.00 0.00 54.13 51.88 1x51 s LEU 107 Cb -0.14 0.79 -0.02 0.00 0.66 0.00 0.00 46.19 47.48 1x51 s LEU 107 CO 0.03 -0.24 -0.05 0.00 -1.89 0.00 0.00 176.35 174.20 1x51 s ALA 108 N 2.45 0.39 -0.55 5.97 0.00 -1.26 -1.27 121.76 127.49 1x51 s ALA 108 Ca 0.01 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 1x51 s ALA 108 Cb -0.12 0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.18 1x51 s ALA 108 CO -0.09 -0.11 0.70 -0.51 0.00 0.00 0.00 175.76 175.75 1x51 s LEU 109 N -1.65 5.03 0.31 0.00 1.43 -0.32 -4.93 118.68 118.56 1x51 s LEU 109 Ca -0.11 -1.08 0.07 0.00 -1.03 0.00 0.00 54.13 51.98 1x51 s LEU 109 Cb -0.08 -2.41 0.88 0.00 0.03 0.00 0.00 46.19 44.61 1x51 s LEU 109 CO -0.01 -1.04 1.50 1.21 0.23 0.00 0.00 176.35 178.24 1x51 n GLU 110 N 6.42 -0.07 0.00 1.70 4.07 -1.26 -4.35 120.64 127.15 1x51 n GLU 110 Ca -0.07 1.40 0.00 0.00 -0.06 0.00 0.00 57.16 58.43 1x51 n GLU 110 Cb 0.44 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 29.53 1x51 n GLU 110 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x51 n GLY 111 N -1.41 -0.91 0.24 8.31 0.00 -1.26 -4.91 105.19 105.25 1x51 n GLY 111 Ca 0.26 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1x51 n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x51 n GLN 112 N 0.00 0.00 -3.78 1.61 1.13 -1.26 -5.09 117.38 109.99 1x51 n GLN 112 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1x51 n GLN 112 Cb 0.00 -0.31 -0.11 0.00 0.11 0.00 0.00 30.24 29.93 1x51 n GLN 112 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1x51 s THR 113 N -0.86 -0.00 1.07 5.09 -4.23 -1.26 -5.17 115.64 110.29 1x51 s THR 113 Ca 0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.36 1x51 s THR 113 Cb 0.00 -0.38 0.23 0.00 1.34 0.00 0.00 72.50 73.68 1x51 s THR 113 CO 0.00 0.00 1.10 -2.16 -0.54 0.00 0.00 174.62 173.02 1x51 s PRO 114 N 0.15 -0.18 -0.23 3.99 0.04 -1.26 -5.02 135.00 132.49 1x51 s PRO 114 Ca -0.00 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.31 1x51 s PRO 114 Cb -0.02 -1.68 -0.19 0.00 0.04 0.00 0.00 34.50 32.65 1x51 s PRO 114 CO 0.00 -3.10 -0.07 1.55 0.04 0.00 0.00 177.00 175.42 1x51 n VAL 115 N -4.40 1.57 -2.74 -0.36 3.14 -1.26 -4.96 118.33 109.33 1x51 n VAL 115 Ca 0.07 -0.52 -0.09 0.00 -2.96 0.00 0.00 64.34 60.85 1x51 n VAL 115 Cb 0.58 -1.62 -0.01 0.00 -1.06 0.00 0.00 33.84 31.73 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 -3.57 -0.22 -3.75 1.55 -2.24 -1.26 -4.88 114.28 99.90 1x51 n THR 116 Ca -0.43 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.21 1x51 n THR 116 Cb 0.96 -0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.33 -0.05 -0.29 4.28 2.01 -1.26 -5.14 115.64 112.86 1x51 s THR 117 Ca 0.11 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 1x51 s THR 117 Cb -0.06 -0.25 0.17 0.00 0.01 0.00 0.00 72.50 72.36 1x51 s THR 117 CO 0.13 0.07 1.05 0.54 -0.69 0.00 0.00 174.62 175.73 1x51 s VAL 118 N 1.19 -0.09 1.01 3.82 0.11 -1.25 -4.16 120.40 121.03 1x51 s VAL 118 Ca -0.09 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.83 1x51 s VAL 118 Cb -0.12 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.93 1x51 s VAL 118 CO -0.06 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.64 1x51 s PRO 119 N 1.51 0.35 0.00 1.54 0.04 -1.26 -4.89 135.00 132.28 1x51 s PRO 119 Ca -0.07 0.50 0.11 0.00 0.04 0.00 0.00 61.00 61.58 1x51 s PRO 119 Cb -0.04 -1.73 0.69 0.00 0.04 0.00 0.00 34.50 33.46 1x51 s PRO 119 CO -0.14 -2.78 1.12 -0.35 0.04 0.00 0.00 177.00 174.88 1x51 n PRO 120 N -4.21 0.49 -0.37 0.56 -0.04 -1.26 -2.28 135.00 127.89 1x51 n PRO 120 Ca 0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 1x51 n PRO 120 Cb 0.57 -1.37 0.24 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.02 3.30 3.23 0.55 0.00 -1.26 -5.00 105.19 105.98 1x51 n GLY 121 Ca 0.09 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.93 1.29 -0.14 4.61 0.00 -0.97 -3.14 121.76 121.49 1x51 s ALA 122 Ca 0.36 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.43 1x51 s ALA 122 Cb 0.25 1.31 0.04 0.00 0.00 0.00 0.00 23.12 24.72 1x51 s ALA 122 CO 0.14 -0.56 0.43 -0.98 0.00 0.00 0.00 175.76 174.79 1x51 s ARG 123 N -4.13 0.54 -0.35 0.00 1.70 0.35 -4.87 118.95 112.19 1x51 s ARG 123 Ca 0.39 0.49 -0.08 0.00 -0.47 0.00 0.00 55.73 56.06 1x51 s ARG 123 Cb 0.07 0.26 0.04 0.00 -0.57 0.00 0.00 34.95 34.75 1x51 s ARG 123 CO 0.12 -0.08 0.14 -1.58 -1.08 0.00 0.00 175.30 172.82 1x51 s TRP 124 N -0.01 3.26 0.36 5.89 0.52 -1.26 0.15 118.94 127.84 1x51 s TRP 124 Ca -0.02 -1.30 0.05 0.00 0.02 0.00 0.00 56.10 54.86 1x51 s TRP 124 Cb -0.03 -2.36 -0.07 0.00 -1.15 0.00 0.00 33.47 29.86 1x51 s TRP 124 CO 0.01 -0.71 0.04 -0.48 0.02 0.00 0.00 176.95 175.83 1x51 s LEU 125 N 1.45 2.46 0.82 2.99 0.05 -0.53 -4.96 118.68 120.95 1x51 s LEU 125 Ca -0.00 -1.37 -0.12 0.00 0.05 0.00 0.00 54.13 52.69 1x51 s LEU 125 Cb -0.20 -0.59 0.09 0.00 -2.05 0.00 0.00 46.19 43.44 1x51 s LEU 125 CO 0.04 -0.54 1.18 0.42 -0.55 0.00 0.00 176.35 176.90 1x51 s THR 126 N -3.06 2.02 0.12 5.48 -4.23 -1.26 0.37 115.64 115.08 1x51 s THR 126 Ca 0.36 -0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.58 1x51 s THR 126 Cb 0.09 -3.00 -0.06 0.00 1.34 0.00 0.00 72.50 70.88 1x51 s THR 126 CO 0.16 0.00 1.63 1.56 -0.54 0.00 0.00 174.62 177.43 1x51 h GLN 127 N -1.08 -0.43 0.19 3.99 4.20 -1.92 -2.26 115.11 117.80 1x51 h GLN 127 Ca -0.46 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1x51 h GLN 127 Cb 1.32 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.18 1x51 h GLN 127 CO 0.63 -0.28 -0.20 0.93 -0.67 0.00 0.00 178.83 179.24 1x51 h GLU 128 N -0.44 -0.41 -0.93 1.46 5.08 -1.96 -2.55 114.58 114.82 1x51 h GLU 128 Ca 0.06 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.70 1x51 h GLU 128 Cb 0.52 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.69 1x51 h GLU 128 CO -0.23 -0.27 0.06 0.93 -1.00 0.00 0.00 179.01 178.49 1x51 h GLU 129 N -0.42 0.05 -0.09 2.33 4.39 -1.87 0.18 114.58 119.15 1x51 h GLU 129 Ca 0.00 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1x51 h GLU 129 Cb 0.40 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 1x51 h GLU 129 CO -0.05 0.03 -0.25 0.35 -1.16 0.00 0.00 179.01 177.93 1x51 h PHE 130 N 0.05 -0.67 -0.72 4.33 3.57 -0.98 0.93 116.94 123.45 1x51 h PHE 130 Ca 0.57 0.03 0.09 0.00 3.53 0.00 0.00 57.97 62.19 1x51 h PHE 130 Cb 1.15 0.31 -0.12 0.00 2.79 0.00 0.00 35.95 40.08 1x51 h PHE 130 CO -0.45 -0.33 -0.48 0.45 -2.23 0.00 0.00 178.31 175.27 1x51 h HIS 131 N -0.34 -1.43 0.08 0.41 3.86 -0.57 -1.36 115.15 115.80 1x51 h HIS 131 Ca 0.09 0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1x51 h HIS 131 Cb 0.47 0.73 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1x51 h HIS 131 CO -0.33 -0.42 -0.04 1.79 0.86 0.00 0.00 177.93 179.80 1x51 h THR 132 N -0.16 0.99 -1.65 2.45 1.35 -1.31 -3.45 112.91 111.13 1x51 h THR 132 Ca 0.19 -0.24 -0.48 0.00 -0.55 0.00 0.00 66.41 65.33 1x51 h THR 132 Cb 0.54 1.14 0.16 0.00 -1.73 0.00 0.00 68.15 68.26 1x51 h THR 132 CO -0.78 0.06 -1.13 0.00 -0.25 0.00 0.00 175.52 173.41 1x51 n ALA 133 N -2.20 -3.48 -2.15 6.62 0.00 0.29 -4.69 120.51 114.91 1x51 n ALA 133 Ca -0.08 -0.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.78 1x51 n ALA 133 Cb 0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1x51 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x51 s ALA 134 N -1.65 2.26 -0.02 0.00 0.00 -1.26 -4.95 121.76 116.14 1x51 s ALA 134 Ca 0.43 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1x51 s ALA 134 Cb -0.33 -4.32 -0.01 0.00 0.00 0.00 0.00 23.12 18.47 1x51 s ALA 134 CO 0.59 -3.84 -0.13 0.08 0.00 0.00 0.00 175.76 172.46 1x51 s VAL 135 N 8.45 1.02 0.73 0.00 1.01 -1.26 -2.13 120.40 128.21 1x51 s VAL 135 Ca 0.61 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 1x51 s VAL 135 Cb -0.11 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1x51 s VAL 135 CO 0.18 0.29 1.14 -0.94 0.00 0.00 0.00 175.10 175.77 1x51 s SER 136 N -0.18 4.51 0.14 3.32 1.04 -1.26 -4.71 113.70 116.56 1x51 s SER 136 Ca 0.03 2.08 -0.29 0.00 0.48 0.00 0.00 55.95 58.25 1x51 s SER 136 Cb -0.06 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1x51 s SER 136 CO -0.00 -2.04 1.57 0.74 0.98 0.00 0.00 173.24 174.49 1x51 h THR 137 N -0.48 0.10 0.00 2.02 2.02 -2.00 0.19 112.91 114.75 1x51 h THR 137 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1x51 h THR 137 Cb 1.26 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1x51 h THR 137 CO 0.51 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.40 1x51 n ALA 138 N -3.02 -0.07 -0.19 6.16 0.00 -1.26 -0.30 120.51 121.83 1x51 n ALA 138 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 1x51 n ALA 138 Cb 0.36 0.42 0.08 0.00 0.00 0.00 0.00 19.45 20.31 1x51 n ALA 138 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x51 h MET 139 N 0.00 0.10 -0.82 0.00 2.07 -1.89 0.28 114.93 114.67 1x51 h MET 139 Ca 0.00 -0.01 0.21 0.00 -2.07 0.00 0.00 59.70 57.84 1x51 h MET 139 Cb 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 29.66 1x51 h MET 139 CO 0.00 0.06 0.57 0.87 1.07 0.00 0.00 176.91 179.48 1x51 h LYS 140 N 0.10 0.16 -0.08 1.72 1.57 0.47 -0.12 116.57 120.39 1x51 h LYS 140 Ca 0.30 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1x51 h LYS 140 Cb 0.48 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1x51 h LYS 140 CO -0.51 0.11 -0.58 0.87 -0.57 0.00 0.00 179.45 178.76 1x51 h LYS 141 N 0.16 0.53 -0.71 3.15 1.57 0.26 -3.15 116.57 118.40 1x51 h LYS 141 Ca 0.40 -0.47 0.21 0.00 -1.87 0.00 0.00 60.65 58.92 1x51 h LYS 141 Cb 1.34 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.73 1x51 h LYS 141 CO -0.07 1.10 0.62 0.28 -0.57 0.00 0.00 179.45 180.81 1x51 h VAL 142 N 0.13 0.41 0.00 0.50 2.07 -0.32 -1.58 116.25 117.45 1x51 h VAL 142 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1x51 h VAL 142 Cb 1.24 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1x51 h VAL 142 CO 0.12 0.00 0.00 0.33 0.02 0.00 0.00 177.57 178.04 1x51 n PHE 143 N -3.92 0.00 -0.47 1.57 7.35 -1.13 -2.24 117.46 118.62 1x51 n PHE 143 Ca 0.14 0.00 0.39 0.00 -0.76 0.00 0.00 57.45 57.22 1x51 n PHE 143 Cb 0.88 -0.46 0.69 0.00 0.35 0.00 0.00 39.48 40.94 1x51 n PHE 143 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 1x51 h ARG 144 N 0.00 0.08 -0.34 -4.13 0.11 -1.53 1.14 114.38 109.71 1x51 h ARG 144 Ca 0.00 -0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.91 1x51 h ARG 144 Cb 0.00 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.06 1x51 h ARG 144 CO 0.00 0.05 -0.44 0.28 0.10 0.00 0.00 179.97 179.97 1x51 h VAL 145 N 0.08 1.28 -0.16 0.08 2.07 -1.37 -3.23 116.25 115.00 1x51 h VAL 145 Ca 0.79 -1.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.52 1x51 h VAL 145 Cb 2.70 1.48 0.01 0.00 -1.52 0.00 0.00 31.29 33.95 1x51 h VAL 145 CO -0.25 0.53 -0.56 0.22 0.02 0.00 0.00 177.57 177.53 1x51 h TYR 146 N 0.70 0.88 -0.74 1.57 3.20 0.17 -3.32 116.97 119.42 1x51 h TYR 146 Ca 0.04 -0.36 0.07 0.00 3.14 0.00 0.00 58.73 61.62 1x51 h TYR 146 Cb 1.03 -0.15 -0.09 0.00 1.54 0.00 0.00 36.73 39.06 1x51 h TYR 146 CO 0.06 1.16 -0.47 1.96 -1.64 0.00 0.00 178.16 179.23 1x51 h GLN 147 N 0.35 -0.04 -5.27 1.82 1.08 -0.94 -3.35 115.11 108.77 1x51 h GLN 147 Ca -0.02 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.55 1x51 h GLN 147 Cb 1.19 0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 28.48 1x51 h GLN 147 CO 0.12 -0.02 -0.08 0.20 -0.95 0.00 0.00 178.83 178.09 1x51 s GLY 148 N -2.18 1.84 -0.07 3.46 0.00 -1.24 -5.05 107.32 104.09 1x51 s GLY 148 Ca -0.10 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1x51 s GLY 148 CO 0.49 1.18 -0.13 -0.86 0.00 0.00 0.00 173.10 173.78 1x51 s GLN 149 N 2.28 1.81 -0.84 2.90 -2.07 -1.26 -4.89 119.66 117.60 1x51 s GLN 149 Ca 0.19 -0.45 -0.25 0.00 -1.82 0.00 0.00 55.36 53.02 1x51 s GLN 149 Cb -0.16 -1.48 0.01 0.00 -1.09 0.00 0.00 33.01 30.30 1x51 s GLN 149 CO 0.11 0.04 1.56 -1.54 -1.32 0.00 0.00 175.29 174.14 1x51 s SER 150 N 0.63 5.93 0.24 12.60 1.04 -1.26 -4.92 113.70 127.96 1x51 s SER 150 Ca -0.15 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.63 1x51 s SER 150 Cb -0.16 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 1x51 s SER 150 CO 0.04 -1.99 0.25 0.61 0.98 0.00 0.00 173.24 173.13 1x51 n GLY 151 N 6.20 2.95 3.77 7.32 0.00 -1.26 -5.15 105.19 119.02 1x51 n GLY 151 Ca 0.23 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.82 4.33 -0.11 1.61 0.04 -1.26 -4.99 135.00 131.80 1x51 s PRO 152 Ca 0.26 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 1x51 s PRO 152 Cb 0.01 -2.98 -0.13 0.00 0.04 0.00 0.00 34.50 31.44 1x51 s PRO 152 CO 0.18 -0.13 0.42 0.77 0.04 0.00 0.00 177.00 178.29 1x51 h SER 153 N 3.26 -0.03 -3.31 6.66 0.02 -2.01 -3.47 113.55 114.67 1x51 h SER 153 Ca -0.48 -0.45 -0.08 0.00 -0.84 0.00 0.00 61.79 59.94 1x51 h SER 153 Cb 1.23 0.01 -0.24 0.00 0.14 0.00 0.00 62.40 63.53 1x51 h SER 153 CO 0.65 0.68 -0.18 -0.94 -1.14 0.00 0.00 176.83 175.90 1x51 s SER 154 N -5.80 -0.63 0.00 3.07 1.04 -1.26 -5.33 113.70 104.79 1x51 s SER 154 Ca -0.09 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1x51 s SER 154 Cb -0.01 0.98 0.00 0.00 0.10 0.00 0.00 66.02 67.09 1x51 s SER 154 CO 0.34 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.97