#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 6.33 0.26 1.61 1.04 -1.26 -4.99 113.70 116.69 1x51 s SER 2 Ca 0.00 0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.73 1x51 s SER 2 Cb 0.00 -2.09 0.41 0.00 0.10 0.00 0.00 66.02 64.44 1x51 s SER 2 CO 0.00 0.28 1.46 -1.20 0.98 0.00 0.00 173.24 174.77 1x51 n SER 3 N 2.77 -0.37 -1.65 7.02 7.64 -1.26 -4.87 113.62 122.89 1x51 n SER 3 Ca -0.18 1.62 -0.00 0.00 1.01 0.00 0.00 58.87 61.32 1x51 n SER 3 Cb 0.53 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1x51 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x51 n GLY 4 N -1.58 -0.28 3.95 0.23 0.00 -1.26 -5.07 105.19 101.19 1x51 n GLY 4 Ca 0.14 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1x51 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x51 s SER 5 N -2.20 6.12 0.46 1.61 0.01 -1.26 -5.12 113.70 113.33 1x51 s SER 5 Ca 0.00 0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.61 1x51 s SER 5 Cb -0.00 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 1x51 s SER 5 CO 0.07 -0.41 0.06 -0.44 0.41 0.00 0.00 173.24 172.93 1x51 s SER 6 N -4.10 4.11 0.00 2.44 0.01 -1.26 -5.08 113.70 109.82 1x51 s SER 6 Ca 0.42 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1x51 s SER 6 Cb -0.10 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1x51 s SER 6 CO 0.35 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1x51 n GLY 7 N -1.18 -2.40 0.00 3.44 0.00 -1.26 -4.60 105.19 99.19 1x51 n GLY 7 Ca -0.10 -1.29 0.06 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.99 0.49 -3.07 1.61 -0.04 -1.26 -4.46 135.00 127.29 1x51 n PRO 8 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 1x51 n PRO 8 Cb 0.00 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 1x51 n PRO 8 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1x51 s ARG 9 N -2.00 3.57 -0.61 0.54 3.52 -1.26 -4.60 118.95 118.10 1x51 s ARG 9 Ca 0.17 -1.97 0.04 0.00 -0.13 0.00 0.00 55.73 53.85 1x51 s ARG 9 Cb 0.08 -4.72 0.15 0.00 -1.56 0.00 0.00 34.95 28.90 1x51 s ARG 9 CO 0.13 -1.60 0.38 0.21 -0.81 0.00 0.00 175.30 173.61 1x51 s LYS 10 N 1.86 2.22 -1.67 5.12 2.20 -1.26 -4.82 119.74 123.39 1x51 s LYS 10 Ca 0.27 -2.99 -0.18 0.00 -0.36 0.00 0.00 55.97 52.71 1x51 s LYS 10 Cb -0.07 -3.35 0.14 0.00 -1.51 0.00 0.00 37.83 33.04 1x51 s LYS 10 CO -0.08 -1.20 0.83 0.00 -0.36 0.00 0.00 175.35 174.53 1x51 n ALA 11 N 2.52 -1.26 -4.18 3.13 0.00 -1.26 -0.23 120.51 119.22 1x51 n ALA 11 Ca 0.13 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 1x51 n ALA 11 Cb 0.34 -3.71 -0.02 0.00 0.00 0.00 0.00 19.45 16.06 1x51 n ALA 11 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x51 n SER 12 N -2.69 -3.52 -0.02 0.00 7.64 -1.26 -4.84 113.62 108.92 1x51 n SER 12 Ca 0.07 -0.98 -0.17 0.00 1.01 0.00 0.00 58.87 58.80 1x51 n SER 12 Cb 0.50 -2.93 -0.07 0.00 -1.01 0.00 0.00 64.21 60.70 1x51 n SER 12 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1x51 h ARG 13 N -1.59 0.76 -2.44 1.43 9.65 -0.95 -3.48 114.38 117.76 1x51 h ARG 13 Ca -0.59 -0.62 0.10 0.00 -1.10 0.00 0.00 59.98 57.78 1x51 h ARG 13 Cb 1.38 0.13 -0.13 0.00 -1.39 0.00 0.00 29.97 29.96 1x51 h ARG 13 CO 0.77 1.23 0.44 0.15 2.80 0.00 0.00 179.97 185.35 1x51 s LYS 14 N -3.74 1.02 0.91 0.20 1.02 -1.26 -5.11 119.74 112.77 1x51 s LYS 14 Ca -0.11 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 55.32 1x51 s LYS 14 Cb 0.08 0.43 0.13 0.00 -0.52 0.00 0.00 37.83 37.95 1x51 s LYS 14 CO 0.89 -0.45 1.09 -1.25 -0.92 0.00 0.00 175.35 174.71 1x51 s PRO 15 N -3.29 1.18 0.36 -1.68 0.04 -1.26 -4.77 135.00 125.58 1x51 s PRO 15 Ca 0.06 0.79 0.15 0.00 0.04 0.00 0.00 61.00 62.05 1x51 s PRO 15 Cb -0.01 -1.80 0.68 0.00 0.04 0.00 0.00 34.50 33.40 1x51 s PRO 15 CO -0.06 -2.28 1.77 -1.00 0.04 0.00 0.00 177.00 175.46 1x51 h PRO 16 N -1.58 0.00 -0.67 0.56 0.13 -1.94 -3.31 132.00 125.19 1x51 h PRO 16 Ca -0.50 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.69 1x51 h PRO 16 Cb 1.29 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 1x51 h PRO 16 CO 0.55 0.41 -0.40 0.54 -0.23 0.00 0.00 178.00 178.88 1x51 n ARG 17 N -3.82 -0.30 -2.67 0.86 1.74 -1.26 -3.46 116.66 107.75 1x51 n ARG 17 Ca -0.01 1.25 -0.42 0.00 -0.77 0.00 0.00 57.85 57.90 1x51 n ARG 17 Cb 0.47 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 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 -4.81 3.17 -0.18 5.56 0.41 -1.25 -2.58 118.70 119.03 1x51 s GLU 18 Ca -0.08 -0.45 -0.04 0.00 -0.41 0.00 0.00 54.97 53.99 1x51 s GLU 18 Cb 0.07 -4.19 0.09 0.00 -1.78 0.00 0.00 34.13 28.32 1x51 s GLU 18 CO 0.42 -2.01 0.26 -1.21 -0.49 0.00 0.00 175.26 172.23 1x51 s GLU 19 N 5.08 0.20 0.07 1.61 0.41 -1.22 -4.91 118.70 119.94 1x51 s GLU 19 Ca 0.30 0.44 0.09 0.00 -0.41 0.00 0.00 54.97 55.39 1x51 s GLU 19 Cb -0.11 -0.69 -0.03 0.00 -1.78 0.00 0.00 34.13 31.51 1x51 s GLU 19 CO 0.14 -0.53 -0.22 -1.12 -0.49 0.00 0.00 175.26 173.04 1x51 s SER 20 N 2.39 3.55 0.02 -0.19 0.01 -1.26 -2.42 113.70 115.80 1x51 s SER 20 Ca 0.06 -0.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.59 1x51 s SER 20 Cb -0.14 -0.43 0.03 0.00 0.21 0.00 0.00 66.02 65.68 1x51 s SER 20 CO -0.11 0.23 0.38 -0.44 0.41 0.00 0.00 173.24 173.70 1x51 s SER 21 N -1.65 -0.24 -0.29 2.44 0.01 -0.84 -3.06 113.70 110.06 1x51 s SER 21 Ca 0.14 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.44 1x51 s SER 21 Cb -0.10 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.57 1x51 s SER 21 CO 0.05 -0.59 -0.03 0.00 0.41 0.00 0.00 173.24 173.09 1x51 s ALA 22 N -2.07 2.74 0.01 1.44 0.00 -0.79 -1.45 121.76 121.65 1x51 s ALA 22 Ca -0.08 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1x51 s ALA 22 Cb -0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1x51 s ALA 22 CO 0.00 -1.32 0.07 -0.08 0.00 0.00 0.00 175.76 174.43 1x51 s THR 23 N 1.14 4.64 0.23 0.00 -1.32 -0.90 -1.65 115.64 117.78 1x51 s THR 23 Ca -0.04 -0.50 0.07 0.00 -1.21 0.00 0.00 61.69 60.01 1x51 s THR 23 Cb -0.20 -3.14 -0.05 0.00 -1.51 0.00 0.00 72.50 67.60 1x51 s THR 23 CO -0.04 0.31 -0.10 0.00 -2.21 0.00 0.00 174.62 172.58 1x51 s VAL 25 N -3.05 2.92 -0.31 0.00 1.01 0.15 -4.50 120.40 116.63 1x51 s VAL 25 Ca 0.25 -1.32 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 1x51 s VAL 25 Cb 0.01 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1x51 s VAL 25 CO 0.08 -0.04 0.37 -0.22 0.00 0.00 0.00 175.10 175.29 1x51 s LEU 26 N 1.26 4.22 0.04 3.92 2.96 -1.25 -1.39 118.68 128.45 1x51 s LEU 26 Ca -0.04 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1x51 s LEU 26 Cb -0.19 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1x51 s LEU 26 CO -0.02 -0.26 -0.22 -0.70 -1.32 0.00 0.00 176.35 173.83 1x51 s GLU 27 N 2.06 1.47 -0.08 1.98 2.12 -0.85 -1.46 118.70 123.94 1x51 s GLU 27 Ca 0.13 -0.98 0.02 0.00 0.36 0.00 0.00 54.97 54.51 1x51 s GLU 27 Cb -0.16 -1.60 0.01 0.00 0.26 0.00 0.00 34.13 32.64 1x51 s GLU 27 CO 0.11 0.41 -0.14 -1.14 -0.54 0.00 0.00 175.26 173.96 1x51 s GLN 28 N -1.19 1.92 -0.11 4.30 2.00 0.79 -2.17 119.66 125.19 1x51 s GLN 28 Ca 0.08 -0.48 -0.29 0.00 -2.00 0.00 0.00 55.36 52.67 1x51 s GLN 28 Cb -0.09 -1.58 -0.04 0.00 0.80 0.00 0.00 33.01 32.10 1x51 s GLN 28 CO 0.02 0.02 1.53 -1.25 -0.50 0.00 0.00 175.29 175.11 1x51 s PRO 29 N 0.71 4.14 0.15 1.67 0.04 -1.26 -1.84 135.00 138.61 1x51 s PRO 29 Ca -0.13 1.96 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1x51 s PRO 29 Cb -0.16 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.45 1x51 s PRO 29 CO 0.03 -0.87 0.03 0.41 0.04 0.00 0.00 177.00 176.64 1x51 n GLY 30 N 4.05 3.91 0.28 0.56 0.00 -1.20 -4.97 105.19 107.81 1x51 n GLY 30 Ca 0.16 -2.11 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 1.15 -0.66 -0.34 4.61 0.00 -2.01 -3.08 119.26 118.94 1x51 h ALA 31 Ca -0.12 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.71 1x51 h ALA 31 Cb 0.40 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1x51 h ALA 31 CO 0.19 -0.86 -0.10 -0.07 0.00 0.00 0.00 179.25 178.42 1x51 h LEU 32 N -0.68 -0.35 0.00 0.00 3.38 -2.00 -3.47 115.31 112.20 1x51 h LEU 32 Ca -0.07 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1x51 h LEU 32 Cb 0.51 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1x51 h LEU 32 CO 0.11 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1x51 n GLY 33 N -1.29 -1.31 3.64 0.83 0.00 -1.16 -5.14 105.19 100.77 1x51 n GLY 33 Ca 0.01 0.51 -0.05 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 -2.15 0.01 4.61 0.00 -1.26 -3.22 121.76 119.74 1x51 s ALA 34 Ca 0.00 2.00 0.06 0.00 0.00 0.00 0.00 51.96 54.02 1x51 s ALA 34 Cb 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 1x51 s ALA 34 CO 0.00 -0.27 -0.19 -0.65 0.00 0.00 0.00 175.76 174.65 1x51 s GLN 35 N 0.71 1.41 0.48 0.00 -0.21 -0.77 -3.87 119.66 117.41 1x51 s GLN 35 Ca -0.02 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.70 1x51 s GLN 35 Cb -0.04 -1.41 0.02 0.00 1.00 0.00 0.00 33.01 32.58 1x51 s GLN 35 CO -0.11 0.38 0.48 0.96 -2.12 0.00 0.00 175.29 174.88 1x51 s ILE 36 N -0.56 2.32 -0.10 1.08 -4.36 0.31 -0.15 121.20 119.74 1x51 s ILE 36 Ca 0.07 -1.29 -0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1x51 s ILE 36 Cb -0.08 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 1x51 s ILE 36 CO 0.00 0.00 -0.03 -0.22 0.24 0.00 0.00 174.94 174.93 1x51 s LEU 37 N -4.29 3.34 -0.07 0.37 2.96 -0.53 -2.45 118.68 118.02 1x51 s LEU 37 Ca 0.48 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1x51 s LEU 37 Cb -0.04 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1x51 s LEU 37 CO 0.29 0.32 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.38 1x51 s LEU 38 N -0.56 1.09 -0.08 -0.68 2.96 0.01 -4.66 118.68 116.76 1x51 s LEU 38 Ca 0.09 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1x51 s LEU 38 Cb -0.12 -0.55 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 1x51 s LEU 38 CO 0.02 -0.10 -0.10 0.68 -1.32 0.00 0.00 176.35 175.53 1x51 s VAL 39 N 1.37 3.41 0.52 1.68 -7.23 0.55 -0.21 120.40 120.50 1x51 s VAL 39 Ca -0.03 -0.57 -0.18 0.00 -1.81 0.00 0.00 61.98 59.38 1x51 s VAL 39 Cb -0.13 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 1x51 s VAL 39 CO -0.03 0.57 1.02 -1.58 -0.31 0.00 0.00 175.10 174.78 1x51 s GLN 40 N -0.47 3.71 0.51 4.82 0.74 -1.18 -1.60 119.66 126.18 1x51 s GLN 40 Ca 0.06 1.19 -0.12 0.00 0.05 0.00 0.00 55.36 56.54 1x51 s GLN 40 Cb -0.12 -2.09 -0.06 0.00 1.10 0.00 0.00 33.01 31.84 1x51 s GLN 40 CO 0.02 -0.49 0.92 1.03 -0.55 0.00 0.00 175.29 176.22 1x51 s ARG 41 N -3.71 3.75 0.63 1.67 1.81 -0.45 -4.92 118.95 117.74 1x51 s ARG 41 Ca 0.64 0.67 -0.16 0.00 -1.72 0.00 0.00 55.73 55.15 1x51 s ARG 41 Cb -0.14 -2.22 -0.01 0.00 -0.45 0.00 0.00 34.95 32.13 1x51 s ARG 41 CO 0.28 -0.29 1.11 -1.25 -0.68 0.00 0.00 175.30 174.48 1x51 s PRO 42 N -4.42 2.93 0.90 3.54 0.04 -1.26 -4.14 135.00 132.60 1x51 s PRO 42 Ca 0.54 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1x51 s PRO 42 Cb -0.10 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.61 1x51 s PRO 42 CO 0.39 -1.16 1.18 -0.80 0.04 0.00 0.00 177.00 176.66 1x51 s ASN 43 N -2.40 3.61 -1.38 6.66 -0.87 -1.26 -4.18 114.94 115.12 1x51 s ASN 43 Ca 0.68 0.76 -0.08 0.00 -1.57 0.00 0.00 52.86 52.66 1x51 s ASN 43 Cb -0.21 -1.20 0.03 0.00 -0.02 0.00 0.00 41.25 39.85 1x51 s ASN 43 CO 0.38 -2.47 1.04 -1.20 -2.57 0.00 0.00 177.10 172.28 1x51 n SER 44 N -3.68 -4.55 -3.79 -1.22 7.64 -1.26 -4.97 113.62 101.79 1x51 n SER 44 Ca 0.09 -0.66 -0.07 0.00 1.01 0.00 0.00 58.87 59.24 1x51 n SER 44 Cb 0.60 -4.60 -0.02 0.00 -1.01 0.00 0.00 64.21 59.18 1x51 n SER 44 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x51 s GLY 45 N -3.62 -0.18 0.16 0.23 0.00 -1.26 -5.03 107.32 97.63 1x51 s GLY 45 Ca 0.44 -0.15 -0.32 0.00 0.00 0.00 0.00 44.72 44.69 1x51 s GLY 45 CO 0.77 -0.04 0.86 1.04 0.00 0.00 0.00 173.10 175.73 1x51 n LEU 46 N -0.45 0.12 -4.13 0.66 4.77 -1.26 -0.92 117.00 115.79 1x51 n LEU 46 Ca -0.06 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.78 1x51 n LEU 46 Cb 0.60 -1.06 -0.05 0.00 -2.33 0.00 0.00 43.42 40.58 1x51 n LEU 46 CO 0.14 -2.13 -0.31 0.18 -1.33 0.00 0.00 177.39 173.95 1x51 n LEU 47 N 1.80 -1.68 -4.67 2.23 4.32 -1.26 -4.82 117.00 112.92 1x51 n LEU 47 Ca 0.17 -1.12 -0.42 0.00 -0.02 0.00 0.00 56.01 54.62 1x51 n LEU 47 Cb 0.22 -1.96 -0.03 0.00 -1.62 0.00 0.00 43.42 40.04 1x51 n LEU 47 CO 0.59 0.43 1.36 0.00 -1.22 0.00 0.00 177.39 178.54 1x51 s ALA 48 N -4.05 3.63 0.00 -1.18 0.00 -0.10 -3.26 121.76 116.80 1x51 s ALA 48 Ca 0.08 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1x51 s ALA 48 Cb -0.05 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1x51 s ALA 48 CO 0.94 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1x51 n GLY 49 N 4.10 0.87 3.06 0.00 0.00 -1.26 -5.00 105.19 106.96 1x51 n GLY 49 Ca 0.17 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.35 2.08 0.33 0.99 2.01 -1.20 -4.98 118.68 117.56 1x51 s LEU 50 Ca 0.00 -0.27 -0.23 0.00 0.01 0.00 0.00 54.13 53.64 1x51 s LEU 50 Cb 0.00 -0.49 -0.10 0.00 0.01 0.00 0.00 46.19 45.61 1x51 s LEU 50 CO 0.00 0.07 0.89 0.26 1.01 0.00 0.00 176.35 178.58 1x51 s TRP 51 N -0.47 3.58 -0.16 0.29 0.52 -1.02 -1.33 118.94 120.34 1x51 s TRP 51 Ca 0.02 1.64 -0.34 0.00 0.02 0.00 0.00 56.10 57.43 1x51 s TRP 51 Cb -0.05 -2.83 0.13 0.00 -1.15 0.00 0.00 33.47 29.57 1x51 s TRP 51 CO 0.00 0.16 1.17 -1.83 0.02 0.00 0.00 176.95 176.47 1x51 s GLU 52 N -2.35 0.37 0.54 4.98 -1.05 -0.63 -4.16 118.70 116.40 1x51 s GLU 52 Ca 0.52 -0.14 -0.20 0.00 -0.15 0.00 0.00 54.97 55.00 1x51 s GLU 52 Cb -0.16 0.17 -0.06 0.00 -0.44 0.00 0.00 34.13 33.65 1x51 s GLU 52 CO 0.20 -0.16 1.15 -0.06 0.95 0.00 0.00 175.26 177.35 1x51 s PHE 53 N -2.51 2.64 0.39 4.83 0.08 -1.26 -0.33 117.98 121.82 1x51 s PHE 53 Ca 0.09 1.53 -0.26 0.00 0.12 0.00 0.00 56.93 58.41 1x51 s PHE 53 Cb -0.01 -3.35 -0.09 0.00 -0.57 0.00 0.00 43.02 39.00 1x51 s PHE 53 CO -0.05 -1.72 1.19 -1.25 -0.10 0.00 0.00 175.22 173.30 1x51 s PRO 54 N -3.20 4.10 0.15 0.24 0.04 -1.26 -4.81 135.00 130.25 1x51 s PRO 54 Ca 0.72 1.91 -0.05 0.00 0.04 0.00 0.00 61.00 63.62 1x51 s PRO 54 Cb -0.26 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 1x51 s PRO 54 CO 0.30 -0.30 0.17 -1.54 0.04 0.00 0.00 177.00 175.66 1x51 s SER 55 N -1.01 0.17 0.43 6.66 1.04 -1.26 -3.07 113.70 116.66 1x51 s SER 55 Ca 0.56 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1x51 s SER 55 Cb -0.32 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1x51 s SER 55 CO 0.41 -0.81 0.11 0.68 0.98 0.00 0.00 173.24 174.61 1x51 s VAL 56 N -4.01 0.69 0.57 5.02 -7.23 -0.66 -4.95 120.40 109.83 1x51 s VAL 56 Ca 0.21 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.19 1x51 s VAL 56 Cb 0.05 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1x51 s VAL 56 CO 0.01 0.00 1.21 0.42 -0.31 0.00 0.00 175.10 176.44 1x51 s THR 57 N -3.14 2.64 0.49 5.32 -4.23 -1.26 -1.89 115.64 113.57 1x51 s THR 57 Ca 0.20 0.41 -0.22 0.00 -1.18 0.00 0.00 61.69 60.90 1x51 s THR 57 Cb 0.02 -3.17 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 1x51 s THR 57 CO 0.12 -0.07 1.18 0.86 -0.54 0.00 0.00 174.62 176.17 1x51 s TRP 58 N -1.57 2.76 -0.03 3.99 -0.00 -1.17 -4.47 118.94 118.46 1x51 s TRP 58 Ca 0.76 1.52 0.02 0.00 -0.00 0.00 0.00 56.10 58.40 1x51 s TRP 58 Cb -0.31 -3.41 0.01 0.00 -0.00 0.00 0.00 33.47 29.76 1x51 s TRP 58 CO 0.34 -1.68 -0.08 -1.21 -0.00 0.00 0.00 176.95 174.32 1x51 s GLU 59 N -2.84 0.90 0.48 5.86 0.41 -1.26 -5.01 118.70 117.25 1x51 s GLU 59 Ca 0.66 -0.26 0.26 0.00 -0.41 0.00 0.00 54.97 55.23 1x51 s GLU 59 Cb -0.29 -0.85 1.13 0.00 -1.78 0.00 0.00 34.13 32.33 1x51 s GLU 59 CO 0.35 0.07 1.91 -1.00 -0.49 0.00 0.00 175.26 176.10 1x51 h PRO 60 N 6.52 0.00 -5.30 0.39 0.13 -1.98 -3.43 132.00 128.33 1x51 h PRO 60 Ca -0.34 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.19 1x51 h PRO 60 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1x51 h PRO 60 CO 0.49 0.17 -0.50 0.45 -0.23 0.00 0.00 178.00 178.37 1x51 s SER 61 N -6.09 6.14 0.38 1.44 0.15 -1.26 -4.98 113.70 109.48 1x51 s SER 61 Ca -0.00 0.23 0.15 0.00 0.70 0.00 0.00 55.95 57.02 1x51 s SER 61 Cb 0.11 -2.07 1.01 0.00 -1.71 0.00 0.00 66.02 63.35 1x51 s SER 61 CO 0.61 0.20 1.81 1.05 1.20 0.00 0.00 173.24 178.10 1x51 h GLU 62 N 6.56 0.48 0.09 5.44 9.09 -2.01 -2.19 114.58 132.03 1x51 h GLU 62 Ca -0.41 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 58.96 1x51 h GLU 62 Cb 1.16 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1x51 h GLU 62 CO 0.74 0.32 -0.05 0.37 0.05 0.00 0.00 179.01 180.44 1x51 h GLN 63 N 0.49 -0.12 -0.71 1.06 5.75 -1.95 -3.19 115.11 116.44 1x51 h GLN 63 Ca 0.53 0.01 0.26 0.00 -0.15 0.00 0.00 58.65 59.30 1x51 h GLN 63 Cb 1.21 0.03 -0.13 0.00 1.07 0.00 0.00 27.48 29.65 1x51 h GLN 63 CO -0.26 -0.08 0.25 1.28 -2.65 0.00 0.00 178.83 177.36 1x51 n LEU 64 N -2.75 0.12 -0.04 -2.39 4.32 -1.10 0.21 117.00 115.37 1x51 n LEU 64 Ca -0.02 1.19 -0.09 0.00 -0.02 0.00 0.00 56.01 57.08 1x51 n LEU 64 Cb 0.05 -0.53 -0.03 0.00 -1.62 0.00 0.00 43.42 41.30 1x51 n LEU 64 CO 0.04 -1.29 0.91 -0.61 -1.22 0.00 0.00 177.39 175.22 1x51 h GLN 65 N 0.00 0.15 -0.27 3.23 5.75 -1.47 -1.03 115.11 121.46 1x51 h GLN 65 Ca 0.54 -0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.84 1x51 h GLN 65 Cb 1.33 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.85 1x51 h GLN 65 CO -0.59 0.10 -0.57 0.00 -2.65 0.00 0.00 178.83 175.12 1x51 h ARG 66 N 0.16 0.85 -0.52 1.69 3.08 0.25 0.27 114.38 120.15 1x51 h ARG 66 Ca 0.09 -0.55 0.07 0.00 0.07 0.00 0.00 59.98 59.65 1x51 h ARG 66 Cb 0.06 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1x51 h ARG 66 CO -0.09 1.18 0.21 0.87 -1.07 0.00 0.00 179.97 181.07 1x51 h LYS 67 N 0.65 0.39 0.15 0.04 1.57 -0.41 -2.34 116.57 116.62 1x51 h LYS 67 Ca 0.01 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 1x51 h LYS 67 Cb 1.17 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.40 1x51 h LYS 67 CO 0.12 0.26 -1.47 0.00 -0.57 0.00 0.00 179.45 177.79 1x51 h ALA 68 N 1.34 0.14 -0.59 3.86 0.00 -1.19 -3.18 119.26 119.64 1x51 h ALA 68 Ca 0.25 -1.01 0.11 0.00 0.00 0.00 0.00 54.91 54.26 1x51 h ALA 68 Cb 0.25 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 1x51 h ALA 68 CO -0.24 1.01 -0.24 1.25 0.00 0.00 0.00 179.25 181.04 1x51 h LEU 69 N 0.09 -0.85 -0.27 0.00 5.85 -0.15 -1.02 115.31 118.96 1x51 h LEU 69 Ca -0.23 0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1x51 h LEU 69 Cb 2.04 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 43.53 1x51 h LEU 69 CO 0.19 -0.26 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.79 1x51 h LEU 70 N -0.09 0.62 -0.97 2.25 3.38 -1.57 -2.98 115.31 115.96 1x51 h LEU 70 Ca 0.27 -0.43 0.28 0.00 0.09 0.00 0.00 57.88 58.08 1x51 h LEU 70 Cb 0.51 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 40.91 1x51 h LEU 70 CO -0.65 0.92 0.09 1.56 0.09 0.00 0.00 178.44 180.45 1x51 h GLN 71 N 0.33 0.03 0.43 1.13 4.20 -1.18 -0.05 115.11 120.01 1x51 h GLN 71 Ca 0.06 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1x51 h GLN 71 Cb 0.70 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1x51 h GLN 71 CO 0.05 0.02 -0.21 1.49 -0.67 0.00 0.00 178.83 179.51 1x51 h GLU 72 N 0.03 -0.56 -0.91 1.46 4.57 -1.39 -3.25 114.58 114.53 1x51 h GLU 72 Ca 0.61 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.96 1x51 h GLU 72 Cb 1.29 0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 29.86 1x51 h GLU 72 CO -0.87 -0.37 -0.39 1.28 -1.18 0.00 0.00 179.01 177.47 1x51 n LEU 73 N -5.02 -0.66 -0.31 1.64 4.77 -0.54 0.12 117.00 117.00 1x51 n LEU 73 Ca -0.07 1.60 0.15 0.00 -0.03 0.00 0.00 56.01 57.65 1x51 n LEU 73 Cb 0.23 -0.33 0.32 0.00 -2.33 0.00 0.00 43.42 41.31 1x51 n LEU 73 CO 0.17 -1.41 1.00 1.56 -1.33 0.00 0.00 177.39 177.39 1x51 h GLN 74 N 0.00 0.28 -0.92 3.23 4.20 -1.15 0.65 115.11 121.40 1x51 h GLN 74 Ca 0.28 -0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.22 1x51 h GLN 74 Cb 0.51 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 1x51 h GLN 74 CO -0.90 0.18 0.63 0.00 -0.67 0.00 0.00 178.83 178.08 1x51 h ARG 75 N 0.28 0.20 0.00 1.46 2.47 0.94 -1.23 114.38 118.50 1x51 h ARG 75 Ca 0.58 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 1x51 h ARG 75 Cb 1.19 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1x51 h ARG 75 CO -0.61 0.13 0.00 0.91 0.56 0.00 0.00 179.97 180.97 1x51 n TRP 76 N -4.41 0.00 0.00 3.04 7.02 0.22 -4.82 117.44 118.49 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 0.85 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.57 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 -1.47 -0.15 0.00 6.99 0.00 -0.84 -4.45 120.51 120.59 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 1.00 -0.19 3.60 0.00 0.00 -0.47 -4.77 105.19 104.36 1x51 n GLY 78 Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 3.35 -0.11 1.61 0.04 -1.26 -4.17 135.00 134.45 1x51 s PRO 79 Ca 0.00 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.32 1x51 s PRO 79 Cb 0.00 -4.17 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1x51 s PRO 79 CO 0.00 -1.84 -0.18 -0.51 0.04 0.00 0.00 177.00 174.51 1x51 s LEU 80 N 6.66 1.89 0.85 -3.56 2.01 -1.26 -5.01 118.68 120.26 1x51 s LEU 80 Ca 0.74 -0.49 -0.11 0.00 0.01 0.00 0.00 54.13 54.28 1x51 s LEU 80 Cb -0.20 -1.22 0.10 0.00 0.01 0.00 0.00 46.19 44.88 1x51 s LEU 80 CO 0.33 0.06 1.09 -2.16 1.01 0.00 0.00 176.35 176.68 1x51 s PRO 81 N 0.80 1.65 -0.04 1.29 0.04 -1.26 -5.04 135.00 132.44 1x51 s PRO 81 Ca -0.09 0.96 -0.05 0.00 0.04 0.00 0.00 61.00 61.86 1x51 s PRO 81 Cb -0.16 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1x51 s PRO 81 CO 0.01 -2.01 -0.09 0.00 0.04 0.00 0.00 177.00 174.95 1x51 n ALA 82 N -3.74 0.67 -0.18 8.56 0.00 -1.26 -4.54 120.51 120.02 1x51 n ALA 82 Ca 0.08 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 1x51 n ALA 82 Cb 0.54 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.26 0.09 -0.70 0.00 2.02 -2.03 -1.58 112.91 110.45 1x51 h THR 83 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1x51 h THR 83 Cb 0.26 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 66.66 1x51 h THR 83 CO 0.00 0.00 -0.34 1.41 0.37 0.00 0.00 175.52 176.96 1x51 n HIS 84 N -5.41 -0.14 -1.37 3.16 -0.00 -1.26 -4.47 115.22 105.72 1x51 n HIS 84 Ca 0.01 0.87 -0.50 0.00 -0.00 0.00 0.00 57.72 58.10 1x51 n HIS 84 Cb 0.35 -0.66 -0.05 0.00 -0.00 0.00 0.00 29.99 29.63 1x51 n HIS 84 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1x51 n LEU 85 N -4.96 -0.71 -3.66 2.41 7.94 -0.60 -4.87 117.00 112.56 1x51 n LEU 85 Ca 0.04 1.09 -0.08 0.00 -1.11 0.00 0.00 56.01 55.95 1x51 n LEU 85 Cb 0.23 -0.89 -0.08 0.00 0.53 0.00 0.00 43.42 43.21 1x51 n LEU 85 CO -0.10 -2.43 0.27 -0.13 -1.11 0.00 0.00 177.39 173.88 1x51 s ARG 86 N -0.57 0.62 -0.03 1.96 0.52 -1.03 -5.01 118.95 115.41 1x51 s ARG 86 Ca 0.71 1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 56.72 1x51 s ARG 86 Cb -1.02 0.10 -0.05 0.00 0.52 0.00 0.00 34.95 34.50 1x51 s ARG 86 CO 0.54 -0.15 1.46 -1.58 0.02 0.00 0.00 175.30 175.59 1x51 s HIS 87 N 1.54 2.62 -0.35 -0.53 5.65 -1.26 -1.87 115.29 121.08 1x51 s HIS 87 Ca -0.10 0.66 0.01 0.00 0.25 0.00 0.00 55.06 55.89 1x51 s HIS 87 Cb -0.06 -3.72 0.11 0.00 -1.18 0.00 0.00 32.58 27.72 1x51 s HIS 87 CO -0.17 -2.78 0.12 -0.51 -0.65 0.00 0.00 174.74 170.74 1x51 s LEU 88 N 2.94 3.00 0.00 8.88 1.43 -0.83 -4.96 118.68 129.14 1x51 s LEU 88 Ca 0.66 -1.99 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1x51 s LEU 88 Cb -0.31 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.80 1x51 s LEU 88 CO 0.26 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1x51 n GLY 89 N 4.41 -1.52 3.47 -3.19 0.00 -1.26 -4.56 105.19 102.53 1x51 n GLY 89 Ca 0.02 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.66 1.49 -0.22 1.61 1.03 -1.26 -3.15 118.70 117.55 1x51 s GLU 90 Ca 0.00 -1.42 -0.04 0.00 0.03 0.00 0.00 54.97 53.54 1x51 s GLU 90 Cb 0.00 0.41 0.08 0.00 -0.80 0.00 0.00 34.13 33.82 1x51 s GLU 90 CO 0.00 -0.59 0.14 0.08 -1.33 0.00 0.00 175.26 173.56 1x51 s VAL 91 N -3.94 -0.15 -0.28 1.83 1.01 -0.84 -4.84 120.40 113.19 1x51 s VAL 91 Ca 0.28 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1x51 s VAL 91 Cb 0.02 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.73 1x51 s VAL 91 CO 0.11 -0.40 -0.06 -0.69 0.00 0.00 0.00 175.10 174.06 1x51 s VAL 92 N 2.18 2.11 -0.31 2.92 1.01 -1.26 -1.04 120.40 126.00 1x51 s VAL 92 Ca 0.05 -1.75 -0.13 0.00 0.00 0.00 0.00 61.98 60.15 1x51 s VAL 92 Cb -0.16 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1x51 s VAL 92 CO -0.19 -0.18 0.26 -2.28 0.00 0.00 0.00 175.10 172.71 1x51 s HIS 93 N 1.09 3.22 -0.05 5.22 2.46 -1.12 -4.98 115.29 121.13 1x51 s HIS 93 Ca -0.04 -0.01 -0.27 0.00 0.47 0.00 0.00 55.06 55.20 1x51 s HIS 93 Cb -0.20 -2.49 -0.03 0.00 -0.13 0.00 0.00 32.58 29.73 1x51 s HIS 93 CO -0.06 -0.30 0.88 0.99 -2.47 0.00 0.00 174.74 173.78 1x51 s THR 94 N 1.82 4.91 0.50 0.89 2.01 -1.26 -2.86 115.64 121.65 1x51 s THR 94 Ca 0.08 1.83 0.08 0.00 0.31 0.00 0.00 61.69 63.99 1x51 s THR 94 Cb -0.17 -4.22 0.03 0.00 0.01 0.00 0.00 72.50 68.16 1x51 s THR 94 CO 0.11 0.15 0.51 -0.36 -0.69 0.00 0.00 174.62 174.34 1x51 s PHE 95 N 1.20 2.06 0.01 4.92 0.08 0.19 -5.01 117.98 121.44 1x51 s PHE 95 Ca 0.46 -0.65 -0.04 0.00 0.12 0.00 0.00 56.93 56.82 1x51 s PHE 95 Cb -0.19 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.12 1x51 s PHE 95 CO 0.22 -0.53 1.06 0.77 -0.10 0.00 0.00 175.22 176.64 1x51 h SER 96 N 0.68 -0.20 -0.01 1.36 0.02 -2.05 -3.24 113.55 110.11 1x51 h SER 96 Ca -0.37 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1x51 h SER 96 Cb 1.28 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 1x51 h SER 96 CO 0.52 -0.05 -0.34 0.00 -1.14 0.00 0.00 176.83 175.82 1x51 n HIS 97 N -2.96 0.04 -3.92 3.45 -0.00 -1.26 -5.02 115.22 105.54 1x51 n HIS 97 Ca -0.00 -1.36 -0.10 0.00 -0.00 0.00 0.00 57.72 56.26 1x51 n HIS 97 Cb 0.04 -0.23 -0.10 0.00 -0.00 0.00 0.00 29.99 29.70 1x51 n HIS 97 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1x51 s ILE 98 N -3.14 0.12 -0.16 0.61 1.01 -1.22 -4.50 121.20 113.92 1x51 s ILE 98 Ca 0.37 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1x51 s ILE 98 Cb 0.35 -0.69 0.05 0.00 0.01 0.00 0.00 42.46 42.18 1x51 s ILE 98 CO -0.04 -0.54 0.03 -0.75 0.00 0.00 0.00 174.94 173.64 1x51 s LYS 99 N -2.14 0.62 -0.12 2.79 2.20 -1.06 0.57 119.74 122.60 1x51 s LYS 99 Ca -0.09 -0.25 -0.08 0.00 -0.36 0.00 0.00 55.97 55.19 1x51 s LYS 99 Cb -0.04 -1.77 -0.04 0.00 -1.51 0.00 0.00 37.83 34.47 1x51 s LYS 99 CO -0.02 -0.54 0.15 -0.51 -0.36 0.00 0.00 175.35 174.06 1x51 s LEU 100 N 1.90 4.38 -0.33 5.43 2.01 -1.13 -3.83 118.68 127.11 1x51 s LEU 100 Ca 0.01 0.47 0.01 0.00 0.01 0.00 0.00 54.13 54.63 1x51 s LEU 100 Cb -0.16 -2.09 0.10 0.00 0.01 0.00 0.00 46.19 44.05 1x51 s LEU 100 CO -0.07 0.38 0.08 -0.89 1.01 0.00 0.00 176.35 176.86 1x51 s THR 101 N -0.90 1.45 0.04 5.49 2.01 -1.02 -2.80 115.64 119.92 1x51 s THR 101 Ca 0.15 -1.81 -0.03 0.00 0.31 0.00 0.00 61.69 60.31 1x51 s THR 101 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1x51 s THR 101 CO 0.04 -0.65 0.25 -0.31 -0.69 0.00 0.00 174.62 173.25 1x51 s TYR 102 N 1.30 3.54 -0.27 4.92 1.51 -0.21 -1.99 117.35 126.14 1x51 s TYR 102 Ca 0.10 0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 56.53 1x51 s TYR 102 Cb -0.18 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 1x51 s TYR 102 CO -0.18 0.58 0.04 -0.65 -1.11 0.00 0.00 175.55 174.24 1x51 s GLN 103 N -2.18 3.16 -0.04 -0.62 -1.52 -0.53 -1.98 119.66 115.95 1x51 s GLN 103 Ca 0.32 -0.80 -0.30 0.00 -1.95 0.00 0.00 55.36 52.63 1x51 s GLN 103 Cb -0.13 -3.26 -0.04 0.00 -0.22 0.00 0.00 33.01 29.36 1x51 s GLN 103 CO 0.22 -0.37 1.32 0.08 -0.25 0.00 0.00 175.29 176.29 1x51 s VAL 104 N 1.48 3.97 -0.05 1.09 1.01 -1.19 -2.11 120.40 124.60 1x51 s VAL 104 Ca 0.03 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.33 1x51 s VAL 104 Cb -0.16 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1x51 s VAL 104 CO 0.01 -0.02 -0.07 -0.31 0.00 0.00 0.00 175.10 174.70 1x51 s TYR 105 N 2.52 1.00 -0.09 5.22 2.02 -0.67 -1.97 117.35 125.38 1x51 s TYR 105 Ca 0.60 -0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.95 1x51 s TYR 105 Cb -0.28 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1x51 s TYR 105 CO 0.24 -0.21 0.07 0.20 -1.57 0.00 0.00 175.55 174.28 1x51 s GLY 106 N 0.76 2.00 -0.28 0.71 0.00 -0.78 0.31 107.32 110.03 1x51 s GLY 106 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1x51 s GLY 106 CO 0.02 -0.51 0.50 -2.27 0.00 0.00 0.00 173.10 170.83 1x51 s LEU 107 N -1.05 -1.10 0.00 0.66 1.98 -0.48 -2.46 118.68 116.24 1x51 s LEU 107 Ca 0.15 0.33 0.06 0.00 -2.89 0.00 0.00 54.13 51.78 1x51 s LEU 107 Cb -0.12 1.64 -0.02 0.00 0.66 0.00 0.00 46.19 48.35 1x51 s LEU 107 CO 0.04 -0.30 -0.18 0.00 -1.89 0.00 0.00 176.35 174.02 1x51 s ALA 108 N 2.70 1.54 -0.63 5.97 0.00 -1.26 -2.01 121.76 128.07 1x51 s ALA 108 Ca 0.15 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.98 1x51 s ALA 108 Cb -0.14 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.65 1x51 s ALA 108 CO -0.22 0.36 1.22 -0.51 0.00 0.00 0.00 175.76 176.61 1x51 s LEU 109 N -0.63 3.37 0.03 0.00 1.43 -0.92 -4.90 118.68 117.04 1x51 s LEU 109 Ca 0.07 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 1x51 s LEU 109 Cb -0.07 -2.98 -0.16 0.00 0.03 0.00 0.00 46.19 43.00 1x51 s LEU 109 CO -0.00 -1.59 1.28 -0.08 0.23 0.00 0.00 176.35 176.19 1x51 h GLU 110 N 9.69 -0.73 -0.17 1.70 4.57 -1.99 -3.39 114.58 124.26 1x51 h GLU 110 Ca -0.26 0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 57.75 1x51 h GLU 110 Cb 1.05 0.17 -0.21 0.00 -0.16 0.00 0.00 28.75 29.60 1x51 h GLU 110 CO 1.22 -0.42 -0.52 0.41 -1.18 0.00 0.00 179.01 178.51 1x51 n GLY 111 N -0.75 1.70 2.06 1.92 0.00 -1.26 -4.98 105.19 103.88 1x51 n GLY 111 Ca -0.12 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.92 0.79 -2.49 1.61 1.13 -1.26 -5.08 117.38 111.16 1x51 n GLN 112 Ca -0.06 -1.65 -0.38 0.00 -1.94 0.00 0.00 57.00 52.96 1x51 n GLN 112 Cb 0.85 -0.12 -0.04 0.00 0.11 0.00 0.00 30.24 31.04 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 -0.91 3.57 0.92 5.09 -4.23 -1.26 -5.03 115.64 113.78 1x51 s THR 113 Ca 0.32 1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 62.06 1x51 s THR 113 Cb -0.03 -3.77 0.14 0.00 1.34 0.00 0.00 72.50 70.18 1x51 s THR 113 CO 0.20 0.15 1.09 -2.16 -0.54 0.00 0.00 174.62 173.37 1x51 s PRO 114 N -2.07 1.10 -0.24 3.99 0.04 -1.26 -4.97 135.00 131.59 1x51 s PRO 114 Ca 0.53 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1x51 s PRO 114 Cb -0.27 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.30 1x51 s PRO 114 CO 0.34 -2.33 -0.16 1.55 0.04 0.00 0.00 177.00 176.43 1x51 n VAL 115 N -3.94 1.53 -3.18 -0.36 3.14 -1.26 -4.95 118.33 109.31 1x51 n VAL 115 Ca 0.07 -0.57 -0.21 0.00 -2.96 0.00 0.00 64.34 60.67 1x51 n VAL 115 Cb 0.56 -1.48 -0.04 0.00 -1.06 0.00 0.00 33.84 31.81 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 -3.34 0.00 -3.71 1.55 -2.24 -1.26 -4.83 114.28 100.45 1x51 n THR 116 Ca -0.45 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 1x51 n THR 116 Cb 0.99 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.29 0.01 -0.29 4.28 2.01 -1.26 -5.16 115.64 112.94 1x51 s THR 117 Ca 0.41 -0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 1x51 s THR 117 Cb -0.24 -0.66 0.13 0.00 0.01 0.00 0.00 72.50 71.75 1x51 s THR 117 CO 0.50 -0.06 1.00 0.54 -0.69 0.00 0.00 174.62 175.91 1x51 s VAL 118 N -0.23 0.00 1.01 3.82 0.11 -1.26 -4.59 120.40 119.26 1x51 s VAL 118 Ca -0.04 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.89 1x51 s VAL 118 Cb -0.03 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 34.01 1x51 s VAL 118 CO 0.02 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.73 1x51 s PRO 119 N 0.89 0.30 0.00 1.54 0.04 -1.26 -4.89 135.00 131.61 1x51 s PRO 119 Ca -0.04 0.47 0.10 0.00 0.04 0.00 0.00 61.00 61.58 1x51 s PRO 119 Cb -0.04 -1.73 0.63 0.00 0.04 0.00 0.00 34.50 33.40 1x51 s PRO 119 CO -0.12 -2.81 1.06 -0.35 0.04 0.00 0.00 177.00 174.82 1x51 n PRO 120 N -4.22 0.49 -0.28 0.56 -0.04 -1.26 -2.32 135.00 127.93 1x51 n PRO 120 Ca 0.05 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1x51 n PRO 120 Cb 0.57 -1.34 0.20 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 4.48 3.14 0.55 0.00 -1.26 -5.02 105.19 107.06 1x51 n GLY 121 Ca 0.08 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.87 0.27 -0.06 4.61 0.00 -0.98 -3.13 121.76 119.59 1x51 s ALA 122 Ca 0.37 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1x51 s ALA 122 Cb 0.31 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1x51 s ALA 122 CO 0.06 -0.43 0.16 -0.98 0.00 0.00 0.00 175.76 174.57 1x51 s ARG 123 N -3.91 0.18 -0.39 0.00 1.70 0.70 -4.81 118.95 112.42 1x51 s ARG 123 Ca 0.08 0.25 -0.10 0.00 -0.47 0.00 0.00 55.73 55.49 1x51 s ARG 123 Cb 0.07 0.06 0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1x51 s ARG 123 CO -0.09 -0.04 0.22 -1.58 -1.08 0.00 0.00 175.30 172.73 1x51 s TRP 124 N 0.22 3.29 0.36 5.89 0.52 -1.26 -0.81 118.94 127.15 1x51 s TRP 124 Ca -0.01 -1.30 0.05 0.00 0.02 0.00 0.00 56.10 54.86 1x51 s TRP 124 Cb -0.02 -2.68 -0.07 0.00 -1.15 0.00 0.00 33.47 29.55 1x51 s TRP 124 CO -0.01 -0.76 0.04 -0.48 0.02 0.00 0.00 176.95 175.76 1x51 s LEU 125 N 1.47 2.46 0.94 2.99 0.05 -1.02 -4.97 118.68 120.60 1x51 s LEU 125 Ca 0.02 -1.38 -0.14 0.00 0.05 0.00 0.00 54.13 52.67 1x51 s LEU 125 Cb -0.21 -0.59 0.16 0.00 -2.05 0.00 0.00 46.19 43.50 1x51 s LEU 125 CO 0.04 -0.55 1.22 0.42 -0.55 0.00 0.00 176.35 176.92 1x51 s THR 126 N -3.05 1.95 0.12 5.48 -4.23 -1.26 -0.53 115.64 114.12 1x51 s THR 126 Ca 0.35 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.69 1x51 s THR 126 Cb 0.09 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1x51 s THR 126 CO 0.16 0.00 1.68 1.56 -0.54 0.00 0.00 174.62 177.48 1x51 h GLN 127 N -1.57 0.52 0.53 3.99 4.20 -1.94 -2.73 115.11 118.10 1x51 h GLN 127 Ca -0.46 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.13 1x51 h GLN 127 Cb 1.29 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.99 1x51 h GLN 127 CO 0.51 0.49 -0.25 0.93 -0.67 0.00 0.00 178.83 179.83 1x51 h GLU 128 N 0.42 -0.68 -0.90 1.46 5.08 -1.93 -3.09 114.58 114.94 1x51 h GLU 128 Ca 0.12 0.05 0.30 0.00 -1.00 0.00 0.00 59.36 58.82 1x51 h GLU 128 Cb 0.16 0.16 -0.17 0.00 0.50 0.00 0.00 28.75 29.40 1x51 h GLU 128 CO -0.01 -0.46 0.19 0.39 -1.00 0.00 0.00 179.01 178.13 1x51 n GLU 129 N -4.18 -0.07 0.01 2.33 -0.58 -1.24 -0.01 120.64 116.90 1x51 n GLU 129 Ca -0.09 1.31 -0.14 0.00 -0.42 0.00 0.00 57.16 57.82 1x51 n GLU 129 Cb 0.28 -2.17 -0.08 0.00 -0.57 0.00 0.00 31.44 28.90 1x51 n GLU 129 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1x51 h PHE 130 N 0.00 -1.41 -0.79 -0.32 3.57 -1.40 -0.99 116.94 115.61 1x51 h PHE 130 Ca 0.63 0.05 0.09 0.00 3.53 0.00 0.00 57.97 62.27 1x51 h PHE 130 Cb 1.46 0.63 -0.10 0.00 2.79 0.00 0.00 35.95 40.73 1x51 h PHE 130 CO -0.29 -0.52 -0.42 0.72 -2.23 0.00 0.00 178.31 175.57 1x51 n HIS 131 N -5.44 -0.24 -0.22 0.41 8.25 0.98 0.95 115.22 119.91 1x51 n HIS 131 Ca -0.05 0.98 -0.06 0.00 -0.26 0.00 0.00 57.72 58.33 1x51 n HIS 131 Cb 0.38 -0.63 0.04 0.00 1.12 0.00 0.00 29.99 30.90 1x51 n HIS 131 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1x51 h THR 132 N 0.00 1.18 -1.39 1.59 1.35 -1.46 -3.44 112.91 110.74 1x51 h THR 132 Ca 0.17 -0.37 -0.73 0.00 -0.55 0.00 0.00 66.41 64.93 1x51 h THR 132 Cb 0.37 0.29 0.05 0.00 -1.73 0.00 0.00 68.15 67.13 1x51 h THR 132 CO -0.75 0.18 0.29 0.00 -0.25 0.00 0.00 175.52 174.98 1x51 n ALA 133 N -2.29 -2.10 -1.53 6.62 0.00 0.27 -4.70 120.51 116.77 1x51 n ALA 133 Ca 0.05 0.55 -0.40 0.00 0.00 0.00 0.00 53.44 53.64 1x51 n ALA 133 Cb 0.04 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 1x51 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x51 n ALA 134 N 2.08 0.81 -2.72 0.00 0.00 -1.26 -4.91 120.51 114.51 1x51 n ALA 134 Ca 0.19 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.82 1x51 n ALA 134 Cb 0.14 -2.91 -0.13 0.00 0.00 0.00 0.00 19.45 16.55 1x51 n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x51 s VAL 135 N 10.64 0.84 0.46 0.00 1.01 -1.26 -2.44 120.40 129.65 1x51 s VAL 135 Ca 1.07 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 1x51 s VAL 135 Cb -0.49 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 1x51 s VAL 135 CO 0.34 -0.07 1.29 -0.55 0.00 0.00 0.00 175.10 176.11 1x51 s SER 136 N -1.06 5.96 0.10 3.32 0.15 -1.26 -4.73 113.70 116.18 1x51 s SER 136 Ca -0.01 2.61 -0.20 0.00 0.70 0.00 0.00 55.95 59.05 1x51 s SER 136 Cb -0.07 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 1x51 s SER 136 CO 0.01 -1.08 1.34 0.74 1.20 0.00 0.00 173.24 175.44 1x51 h THR 137 N 2.03 0.00 -0.32 6.45 2.02 -2.00 0.14 112.91 121.22 1x51 h THR 137 Ca -0.50 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1x51 h THR 137 Cb 1.26 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1x51 h THR 137 CO 0.60 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 176.24 1x51 h ALA 138 N -0.10 -0.36 -0.61 6.16 0.00 -1.97 -0.10 119.26 122.28 1x51 h ALA 138 Ca 0.09 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1x51 h ALA 138 Cb 0.27 1.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 1x51 h ALA 138 CO -0.57 -0.51 -0.24 0.52 0.00 0.00 0.00 179.25 178.45 1x51 h MET 139 N -0.08 -0.08 -0.95 0.00 2.07 -1.73 0.44 114.93 114.61 1x51 h MET 139 Ca 0.05 0.01 0.23 0.00 -2.07 0.00 0.00 59.70 57.91 1x51 h MET 139 Cb 0.21 0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 29.89 1x51 h MET 139 CO -0.34 -0.05 0.63 0.87 1.07 0.00 0.00 176.91 179.08 1x51 h LYS 140 N -0.08 0.36 -0.06 1.72 1.57 0.74 0.26 116.57 121.08 1x51 h LYS 140 Ca 0.27 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.85 1x51 h LYS 140 Cb 0.51 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1x51 h LYS 140 CO -0.66 0.24 -0.73 0.87 -0.57 0.00 0.00 179.45 178.60 1x51 h LYS 141 N 0.37 0.34 -0.79 3.15 1.57 0.16 -3.11 116.57 118.27 1x51 h LYS 141 Ca 0.50 -0.28 0.23 0.00 -1.87 0.00 0.00 60.65 59.22 1x51 h LYS 141 Cb 1.31 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 1x51 h LYS 141 CO -0.19 0.93 0.58 0.28 -0.57 0.00 0.00 179.45 180.48 1x51 h VAL 142 N 0.23 0.58 0.08 0.50 2.07 0.66 -1.63 116.25 118.74 1x51 h VAL 142 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1x51 h VAL 142 Cb 1.30 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1x51 h VAL 142 CO 0.12 0.00 -0.04 0.15 0.02 0.00 0.00 177.57 177.82 1x51 h PHE 143 N 0.00 -0.10 -0.98 1.57 3.57 -1.50 -2.90 116.94 116.60 1x51 h PHE 143 Ca 0.37 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 62.22 1x51 h PHE 143 Cb 1.53 0.03 -0.17 0.00 2.79 0.00 0.00 35.95 40.13 1x51 h PHE 143 CO 0.00 -0.06 0.38 0.07 -2.23 0.00 0.00 178.31 176.47 1x51 h ARG 144 N -0.34 0.08 -0.35 1.11 0.11 -1.57 1.57 114.38 115.00 1x51 h ARG 144 Ca -0.01 -0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.00 1x51 h ARG 144 Cb 0.08 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 1x51 h ARG 144 CO 0.02 0.05 -0.04 0.28 0.10 0.00 0.00 179.97 180.38 1x51 h VAL 145 N 0.08 1.22 0.12 0.08 2.07 -1.41 -2.95 116.25 115.46 1x51 h VAL 145 Ca 0.73 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1x51 h VAL 145 Cb 1.77 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1x51 h VAL 145 CO -0.77 0.30 -0.06 0.22 0.02 0.00 0.00 177.57 177.29 1x51 h TYR 146 N 0.53 -0.16 -0.96 1.57 3.20 0.24 -3.24 116.97 118.16 1x51 h TYR 146 Ca 0.11 -0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.26 1x51 h TYR 146 Cb 0.40 0.05 -0.15 0.00 1.54 0.00 0.00 36.73 38.58 1x51 h TYR 146 CO 0.01 0.31 0.43 1.96 -1.64 0.00 0.00 178.16 179.24 1x51 h GLN 147 N -0.75 0.27 -0.72 1.82 1.08 -1.06 -0.39 115.11 115.36 1x51 h GLN 147 Ca -0.02 -0.02 0.27 0.00 -1.45 0.00 0.00 58.65 57.44 1x51 h GLN 147 Cb 0.54 -0.06 -0.13 0.00 -0.05 0.00 0.00 27.48 27.78 1x51 h GLN 147 CO 0.03 0.18 0.29 0.41 -0.95 0.00 0.00 178.83 178.78 1x51 n GLY 148 N -1.33 -0.66 2.95 3.46 0.00 -1.12 -2.81 105.19 105.69 1x51 n GLY 148 Ca 0.28 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.61 1x51 n GLY 148 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x51 s GLN 149 N -5.25 1.60 -0.18 1.61 1.11 -0.16 -5.06 119.66 113.33 1x51 s GLN 149 Ca -0.07 -2.11 -0.08 0.00 0.01 0.00 0.00 55.36 53.11 1x51 s GLN 149 Cb 0.24 -3.11 0.07 0.00 -1.01 0.00 0.00 33.01 29.20 1x51 s GLN 149 CO 0.56 -1.02 0.41 -1.12 0.01 0.00 0.00 175.29 174.13 1x51 s SER 150 N 0.47 -0.38 -0.30 5.90 0.01 -1.12 -5.00 113.70 113.28 1x51 s SER 150 Ca 0.14 0.92 -0.07 0.00 1.31 0.00 0.00 55.95 58.24 1x51 s SER 150 Cb -0.22 0.98 0.19 0.00 0.21 0.00 0.00 66.02 67.18 1x51 s SER 150 CO -0.06 -0.21 0.93 -0.83 0.41 0.00 0.00 173.24 173.48 1x51 s GLY 151 N 1.90 -0.95 0.00 3.44 0.00 -1.26 -5.00 107.32 105.44 1x51 s GLY 151 Ca -0.06 1.93 0.12 0.00 0.00 0.00 0.00 44.72 46.71 1x51 s GLY 151 CO -0.13 3.97 1.16 -1.55 0.00 0.00 0.00 173.10 176.55 1x51 n PRO 152 N 5.22 0.49 -1.01 2.90 -0.04 -1.26 -4.87 135.00 136.43 1x51 n PRO 152 Ca 0.07 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.17 1x51 n PRO 152 Cb 0.56 -1.39 0.06 0.00 -0.04 0.00 0.00 33.50 32.69 1x51 n PRO 152 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x51 n SER 153 N -0.89 -4.32 -4.79 3.54 2.88 -1.26 -4.91 113.62 103.87 1x51 n SER 153 Ca 0.09 0.32 -0.33 0.00 -1.33 0.00 0.00 58.87 57.63 1x51 n SER 153 Cb 0.04 -0.92 0.03 0.00 -0.75 0.00 0.00 64.21 62.60 1x51 n SER 153 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x51 s SER 154 N -1.28 5.53 0.00 -3.46 0.01 -1.26 -5.22 113.70 108.02 1x51 s SER 154 Ca 0.49 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.61 1x51 s SER 154 Cb -0.25 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1x51 s SER 154 CO 0.75 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.67