#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 6.22 -0.09 1.61 0.01 -1.26 -4.96 113.70 115.24 1x51 s SER 2 Ca 0.00 2.96 -0.07 0.00 1.31 0.00 0.00 55.95 60.15 1x51 s SER 2 Cb 0.00 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1x51 s SER 2 CO 0.00 -0.94 0.27 0.77 0.41 0.00 0.00 173.24 173.75 1x51 h SER 3 N 2.80 -0.12 0.00 2.44 4.64 -2.07 -3.50 113.55 117.74 1x51 h SER 3 Ca -0.51 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1x51 h SER 3 Cb 1.25 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1x51 h SER 3 CO 0.63 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 1x51 n GLY 4 N 1.36 1.19 3.26 -0.77 0.00 -1.26 -5.09 105.19 103.88 1x51 n GLY 4 Ca -0.03 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 2.52 0.04 1.61 0.01 -1.26 -4.72 113.70 111.90 1x51 s SER 5 Ca 0.00 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 1x51 s SER 5 Cb 0.00 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1x51 s SER 5 CO 0.00 0.17 0.03 -0.55 0.41 0.00 0.00 173.24 173.30 1x51 s SER 6 N -1.17 0.30 1.02 2.44 0.15 -1.26 -5.10 113.70 110.08 1x51 s SER 6 Ca 0.08 -0.71 -0.16 0.00 0.70 0.00 0.00 55.95 55.86 1x51 s SER 6 Cb -0.09 0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1x51 s SER 6 CO 0.02 -0.52 0.04 0.61 1.20 0.00 0.00 173.24 174.58 1x51 n GLY 7 N 0.62 -2.48 0.00 9.45 0.00 -1.26 -4.81 105.19 106.71 1x51 n GLY 7 Ca -0.18 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.26 0.41 0.16 1.61 -0.04 -1.26 -3.75 135.00 130.86 1x51 n PRO 8 Ca 0.03 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 1x51 n PRO 8 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 1x51 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x51 h ARG 9 N 0.00 -0.75 -4.99 0.54 3.08 -1.92 -3.46 114.38 106.88 1x51 h ARG 9 Ca 0.00 0.05 -0.42 0.00 0.07 0.00 0.00 59.98 59.68 1x51 h ARG 9 Cb 0.04 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 30.12 1x51 h ARG 9 CO 0.00 -0.50 -0.59 0.15 -1.07 0.00 0.00 179.97 177.96 1x51 s LYS 10 N -5.55 1.57 -0.36 0.04 1.02 -1.25 -4.98 119.74 110.24 1x51 s LYS 10 Ca -0.15 -1.88 0.05 0.00 0.02 0.00 0.00 55.97 54.01 1x51 s LYS 10 Cb 0.05 -0.43 0.46 0.00 -0.52 0.00 0.00 37.83 37.39 1x51 s LYS 10 CO 0.55 -0.32 1.34 0.00 -0.92 0.00 0.00 175.35 176.00 1x51 n ALA 11 N -0.60 5.25 -0.29 5.17 0.00 -1.26 -4.72 120.51 124.06 1x51 n ALA 11 Ca -0.01 -3.73 -0.01 0.00 0.00 0.00 0.00 53.44 49.68 1x51 n ALA 11 Cb 0.66 -0.58 0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.75 -0.51 -0.01 0.00 7.64 -1.26 -3.79 113.62 114.95 1x51 n SER 12 Ca 0.47 1.31 -0.05 0.00 1.01 0.00 0.00 58.87 61.61 1x51 n SER 12 Cb 0.92 -0.29 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1x51 n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1x51 n ARG 13 N -5.09 0.19 -4.51 1.43 0.63 -1.26 -5.06 116.66 102.99 1x51 n ARG 13 Ca 0.07 0.08 -0.30 0.00 -0.92 0.00 0.00 57.85 56.78 1x51 n ARG 13 Cb 0.29 -0.84 -0.12 0.00 0.45 0.00 0.00 32.46 32.24 1x51 n ARG 13 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1x51 s LYS 14 N -2.30 1.86 0.97 -0.14 -0.14 -1.25 -5.14 119.74 113.60 1x51 s LYS 14 Ca -0.11 -1.11 -0.12 0.00 -1.36 0.00 0.00 55.97 53.26 1x51 s LYS 14 Cb 0.02 -2.11 0.17 0.00 -1.68 0.00 0.00 37.83 34.24 1x51 s LYS 14 CO 0.16 0.50 1.09 -1.25 -0.76 0.00 0.00 175.35 175.09 1x51 s PRO 15 N -1.77 0.64 0.44 -1.68 0.04 -1.26 -4.35 135.00 127.06 1x51 s PRO 15 Ca 0.16 0.60 0.22 0.00 0.04 0.00 0.00 61.00 62.02 1x51 s PRO 15 Cb -0.10 -1.76 0.96 0.00 0.04 0.00 0.00 34.50 33.64 1x51 s PRO 15 CO 0.07 -2.61 1.86 -1.00 0.04 0.00 0.00 177.00 175.36 1x51 h PRO 16 N -1.81 0.00 0.00 0.56 0.13 -1.87 -3.34 132.00 125.67 1x51 h PRO 16 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1x51 h PRO 16 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1x51 h PRO 16 CO 0.57 0.26 0.00 0.54 -0.23 0.00 0.00 178.00 179.13 1x51 n ARG 17 N -3.55 0.00 -2.89 0.86 1.74 -1.26 -3.93 116.66 107.63 1x51 n ARG 17 Ca -0.01 0.73 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 1x51 n ARG 17 Cb 0.40 -1.12 -0.04 0.00 -1.02 0.00 0.00 32.46 30.68 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 -2.68 4.04 -0.22 5.56 2.56 -1.26 -0.58 118.70 126.13 1x51 s GLU 18 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 54.97 55.68 1x51 s GLU 18 Cb 0.00 -3.71 0.11 0.00 2.00 0.00 0.00 34.13 32.54 1x51 s GLU 18 CO 0.00 -0.66 0.35 -1.21 -0.56 0.00 0.00 175.26 173.17 1x51 s GLU 19 N 3.02 0.30 -0.03 4.30 2.02 -1.11 -4.90 118.70 122.29 1x51 s GLU 19 Ca 0.35 0.58 0.05 0.00 0.02 0.00 0.00 54.97 55.97 1x51 s GLU 19 Cb -0.14 -0.43 -0.02 0.00 0.10 0.00 0.00 34.13 33.64 1x51 s GLU 19 CO 0.11 -0.54 -0.19 -1.12 0.02 0.00 0.00 175.26 173.54 1x51 s SER 20 N 2.51 3.67 0.09 -0.19 0.01 -1.26 -0.74 113.70 117.78 1x51 s SER 20 Ca 0.08 -0.31 -0.18 0.00 1.31 0.00 0.00 55.95 56.85 1x51 s SER 20 Cb -0.15 -0.65 0.04 0.00 0.21 0.00 0.00 66.02 65.47 1x51 s SER 20 CO -0.14 0.33 0.44 -0.44 0.41 0.00 0.00 173.24 173.84 1x51 s SER 21 N -0.74 -0.31 -0.30 2.44 0.01 0.54 -3.05 113.70 112.30 1x51 s SER 21 Ca 0.11 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.30 1x51 s SER 21 Cb -0.10 0.47 0.08 0.00 0.21 0.00 0.00 66.02 66.68 1x51 s SER 21 CO 0.00 -0.78 -0.02 0.00 0.41 0.00 0.00 173.24 172.85 1x51 s ALA 22 N -3.13 2.60 -0.09 1.44 0.00 -1.15 -1.07 121.76 120.36 1x51 s ALA 22 Ca -0.01 -2.07 -0.08 0.00 0.00 0.00 0.00 51.96 49.80 1x51 s ALA 22 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1x51 s ALA 22 CO -0.07 -1.44 0.18 -0.08 0.00 0.00 0.00 175.76 174.35 1x51 s THR 23 N 1.07 5.43 0.31 0.00 -1.32 -0.91 -2.88 115.64 117.35 1x51 s THR 23 Ca 0.01 0.28 0.09 0.00 -1.21 0.00 0.00 61.69 60.86 1x51 s THR 23 Cb -0.19 -3.45 -0.05 0.00 -1.51 0.00 0.00 72.50 67.30 1x51 s THR 23 CO -0.07 0.59 0.04 0.00 -2.21 0.00 0.00 174.62 172.97 1x51 s VAL 25 N -2.41 2.97 -0.08 0.00 1.01 0.14 -4.51 120.40 117.53 1x51 s VAL 25 Ca 0.34 -3.35 -0.30 0.00 0.00 0.00 0.00 61.98 58.68 1x51 s VAL 25 Cb -0.03 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1x51 s VAL 25 CO 0.21 -0.85 1.27 -0.22 0.00 0.00 0.00 175.10 175.50 1x51 s LEU 26 N -0.39 4.26 0.02 3.92 2.96 -1.25 -2.31 118.68 125.89 1x51 s LEU 26 Ca 0.18 1.85 0.02 0.00 -0.22 0.00 0.00 54.13 55.95 1x51 s LEU 26 Cb -0.22 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1x51 s LEU 26 CO -0.03 -0.67 -0.06 -0.70 -1.32 0.00 0.00 176.35 173.57 1x51 s GLU 27 N 2.65 0.46 -0.00 1.98 2.12 -0.55 -1.70 118.70 123.66 1x51 s GLU 27 Ca 0.57 -0.47 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1x51 s GLU 27 Cb -0.25 -0.33 -0.00 0.00 0.26 0.00 0.00 34.13 33.80 1x51 s GLU 27 CO 0.21 0.08 0.00 -1.14 -0.54 0.00 0.00 175.26 173.87 1x51 s GLN 28 N -0.85 0.04 0.17 4.30 0.74 -0.00 -1.31 119.66 122.75 1x51 s GLN 28 Ca -0.04 -0.04 -0.30 0.00 0.05 0.00 0.00 55.36 55.02 1x51 s GLN 28 Cb -0.06 0.01 -0.08 0.00 1.10 0.00 0.00 33.01 33.98 1x51 s GLN 28 CO 0.00 -0.01 1.32 -1.25 -0.55 0.00 0.00 175.29 174.81 1x51 s PRO 29 N -0.12 4.38 0.00 1.67 0.04 -1.26 -1.30 135.00 138.41 1x51 s PRO 29 Ca -0.01 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x51 s PRO 29 Cb -0.01 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1x51 s PRO 29 CO -0.00 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1x51 n GLY 30 N 2.64 5.27 0.04 0.56 0.00 -0.27 -4.92 105.19 108.52 1x51 n GLY 30 Ca 0.07 -1.49 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 1.00 -0.09 -0.80 4.61 0.00 -1.99 -3.37 119.26 118.62 1x51 h ALA 31 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1x51 h ALA 31 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1x51 h ALA 31 CO 0.00 -0.09 0.50 -0.07 0.00 0.00 0.00 179.25 179.60 1x51 h LEU 32 N -0.51 0.81 0.00 0.00 3.38 -2.01 -3.47 115.31 113.51 1x51 h LEU 32 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x51 h LEU 32 Cb 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1x51 h LEU 32 CO 0.01 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.69 1x51 n GLY 33 N -1.32 -2.55 3.56 0.83 0.00 -1.26 -5.16 105.19 99.30 1x51 n GLY 33 Ca 0.10 0.82 -0.16 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.87 -1.80 0.14 4.61 0.00 -1.26 -1.11 121.76 121.46 1x51 s ALA 34 Ca 0.00 1.57 0.05 0.00 0.00 0.00 0.00 51.96 53.58 1x51 s ALA 34 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1x51 s ALA 34 CO 0.00 -0.35 -0.11 1.14 0.00 0.00 0.00 175.76 176.45 1x51 s GLN 35 N -0.67 1.04 0.51 0.00 -2.07 -0.42 -4.33 119.66 113.73 1x51 s GLN 35 Ca -0.06 -1.40 0.06 0.00 -1.82 0.00 0.00 55.36 52.14 1x51 s GLN 35 Cb -0.02 -0.66 0.02 0.00 -1.09 0.00 0.00 33.01 31.26 1x51 s GLN 35 CO 0.06 0.09 0.37 0.96 -1.32 0.00 0.00 175.29 175.45 1x51 s ILE 36 N -3.08 1.85 -0.05 3.63 -4.36 0.74 -0.82 121.20 119.12 1x51 s ILE 36 Ca 0.15 -1.50 0.02 0.00 -0.26 0.00 0.00 60.65 59.06 1x51 s ILE 36 Cb 0.01 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 1x51 s ILE 36 CO 0.01 0.00 -0.09 -0.22 0.24 0.00 0.00 174.94 174.88 1x51 s LEU 37 N -4.22 3.04 0.02 0.37 2.96 -0.69 -2.54 118.68 117.62 1x51 s LEU 37 Ca 0.36 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1x51 s LEU 37 Cb -0.02 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1x51 s LEU 37 CO 0.22 0.34 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.27 1x51 s LEU 38 N -0.93 2.13 0.27 -0.68 2.96 -0.11 -4.73 118.68 117.59 1x51 s LEU 38 Ca 0.13 -0.35 0.12 0.00 -0.22 0.00 0.00 54.13 53.81 1x51 s LEU 38 Cb -0.11 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 1x51 s LEU 38 CO 0.02 0.01 -0.18 0.68 -1.32 0.00 0.00 176.35 175.56 1x51 s VAL 39 N -0.69 2.57 -0.16 1.68 -7.23 0.76 -0.28 120.40 117.06 1x51 s VAL 39 Ca -0.00 -2.32 -0.05 0.00 -1.81 0.00 0.00 61.98 57.80 1x51 s VAL 39 Cb -0.06 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1x51 s VAL 39 CO 0.00 -0.37 0.00 -1.58 -0.31 0.00 0.00 175.10 172.85 1x51 s GLN 40 N -3.44 3.77 0.64 4.82 0.74 -0.91 -0.12 119.66 125.17 1x51 s GLN 40 Ca 0.29 -0.44 -0.15 0.00 0.05 0.00 0.00 55.36 55.11 1x51 s GLN 40 Cb -0.05 -3.03 -0.01 0.00 1.10 0.00 0.00 33.01 31.01 1x51 s GLN 40 CO 0.15 0.28 1.08 1.03 -0.55 0.00 0.00 175.29 177.27 1x51 s ARG 41 N 0.31 3.04 0.81 1.67 1.81 -1.14 -4.99 118.95 120.46 1x51 s ARG 41 Ca -0.01 1.25 -0.11 0.00 -1.72 0.00 0.00 55.73 55.14 1x51 s ARG 41 Cb -0.13 -1.99 0.08 0.00 -0.45 0.00 0.00 34.95 32.46 1x51 s ARG 41 CO 0.02 -1.04 1.09 -1.25 -0.68 0.00 0.00 175.30 173.44 1x51 s PRO 42 N -4.22 1.92 -1.41 3.54 0.04 -1.26 -3.98 135.00 129.64 1x51 s PRO 42 Ca 0.64 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1x51 s PRO 42 Cb -0.17 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1x51 s PRO 42 CO 0.41 -1.85 2.07 0.09 0.04 0.00 0.00 177.00 177.76 1x51 n ASN 43 N -3.65 4.23 -3.63 6.66 3.02 -1.26 -4.09 115.26 116.54 1x51 n ASN 43 Ca 0.08 -2.87 -0.05 0.00 -0.03 0.00 0.00 54.58 51.72 1x51 n ASN 43 Cb 0.54 -1.69 -0.06 0.00 -0.61 0.00 0.00 39.78 37.96 1x51 n ASN 43 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1x51 s SER 44 N 3.53 -0.91 0.00 6.41 0.15 -1.26 -5.09 113.70 116.53 1x51 s SER 44 Ca 0.49 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.54 1x51 s SER 44 Cb 0.11 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 1x51 s SER 44 CO -0.03 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1x51 n GLY 45 N 4.51 -0.67 3.58 9.45 0.00 -1.26 -4.78 105.19 116.02 1x51 n GLY 45 Ca -0.18 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.81 2.87 -3.07 0.99 4.77 -1.26 -2.88 117.00 117.61 1x51 n LEU 46 Ca 0.00 0.66 -0.21 0.00 -0.03 0.00 0.00 56.01 56.43 1x51 n LEU 46 Cb 0.00 -1.36 0.06 0.00 -2.33 0.00 0.00 43.42 39.79 1x51 n LEU 46 CO 0.00 -2.29 0.14 -0.11 -1.33 0.00 0.00 177.39 173.80 1x51 n LEU 47 N -1.30 -3.02 -4.97 2.23 7.94 -1.26 -5.00 117.00 111.62 1x51 n LEU 47 Ca 0.12 -0.40 -0.21 0.00 -1.11 0.00 0.00 56.01 54.41 1x51 n LEU 47 Cb 0.49 -2.75 0.01 0.00 0.53 0.00 0.00 43.42 41.71 1x51 n LEU 47 CO 0.49 0.45 0.24 0.00 -1.11 0.00 0.00 177.39 177.46 1x51 s ALA 48 N -3.22 3.98 -0.49 1.96 0.00 -1.14 -4.49 121.76 118.36 1x51 s ALA 48 Ca 0.44 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1x51 s ALA 48 Cb -0.19 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1x51 s ALA 48 CO 0.54 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1x51 n GLY 49 N -2.02 0.23 3.46 0.00 0.00 -1.26 -5.04 105.19 100.57 1x51 n GLY 49 Ca 0.03 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.54 2.64 0.11 0.99 2.01 -1.26 -4.90 118.68 116.74 1x51 s LEU 50 Ca 0.00 -0.30 -0.30 0.00 0.01 0.00 0.00 54.13 53.54 1x51 s LEU 50 Cb 0.00 -1.53 -0.06 0.00 0.01 0.00 0.00 46.19 44.60 1x51 s LEU 50 CO 0.00 0.31 1.07 0.26 1.01 0.00 0.00 176.35 179.00 1x51 s TRP 51 N -0.80 3.62 0.25 0.29 0.52 -1.21 -2.90 118.94 118.71 1x51 s TRP 51 Ca 0.13 1.59 -0.14 0.00 0.02 0.00 0.00 56.10 57.70 1x51 s TRP 51 Cb -0.11 -3.24 -0.00 0.00 -1.15 0.00 0.00 33.47 28.98 1x51 s TRP 51 CO 0.02 -0.49 0.51 -1.21 0.02 0.00 0.00 176.95 175.81 1x51 s GLU 52 N 0.21 1.59 0.34 4.98 2.02 0.83 -4.41 118.70 124.26 1x51 s GLU 52 Ca 0.51 -1.22 -0.26 0.00 0.02 0.00 0.00 54.97 54.02 1x51 s GLU 52 Cb -0.27 0.49 -0.09 0.00 0.10 0.00 0.00 34.13 34.36 1x51 s GLU 52 CO 0.32 -0.67 1.03 -0.06 0.02 0.00 0.00 175.26 175.89 1x51 s PHE 53 N -3.99 3.49 0.30 1.61 0.08 -1.26 -0.17 117.98 118.04 1x51 s PHE 53 Ca 0.21 1.71 -0.29 0.00 0.12 0.00 0.00 56.93 58.68 1x51 s PHE 53 Cb -0.01 -3.10 -0.10 0.00 -0.57 0.00 0.00 43.02 39.24 1x51 s PHE 53 CO 0.09 -0.32 1.24 -1.25 -0.10 0.00 0.00 175.22 174.88 1x51 s PRO 54 N -2.07 4.46 0.20 0.24 0.04 -1.26 -4.89 135.00 131.71 1x51 s PRO 54 Ca 0.52 2.06 -0.08 0.00 0.04 0.00 0.00 61.00 63.54 1x51 s PRO 54 Cb -0.23 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 1x51 s PRO 54 CO 0.30 -0.06 0.30 -1.54 0.04 0.00 0.00 177.00 176.03 1x51 s SER 55 N -0.51 0.04 0.44 6.66 1.04 -1.26 -2.91 113.70 117.20 1x51 s SER 55 Ca 0.48 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1x51 s SER 55 Cb -0.37 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 1x51 s SER 55 CO 0.47 -0.95 0.09 0.68 0.98 0.00 0.00 173.24 174.51 1x51 s VAL 56 N -4.03 0.82 0.11 5.02 -7.23 -1.14 -4.97 120.40 108.97 1x51 s VAL 56 Ca 0.24 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.10 1x51 s VAL 56 Cb 0.03 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 1x51 s VAL 56 CO 0.06 0.00 1.52 0.42 -0.31 0.00 0.00 175.10 176.78 1x51 s THR 57 N -3.10 3.03 0.57 5.32 -4.23 -1.26 -2.95 115.64 113.02 1x51 s THR 57 Ca 0.19 0.67 -0.18 0.00 -1.18 0.00 0.00 61.69 61.19 1x51 s THR 57 Cb 0.03 -3.43 -0.12 0.00 1.34 0.00 0.00 72.50 70.32 1x51 s THR 57 CO 0.11 0.03 0.14 1.87 -0.54 0.00 0.00 174.62 176.23 1x51 n TRP 58 N 4.47 -2.02 -4.55 3.99 -0.00 -1.17 -4.80 117.44 113.36 1x51 n TRP 58 Ca 0.13 0.42 -0.22 0.00 -0.00 0.00 0.00 57.50 57.83 1x51 n TRP 58 Cb 0.41 -1.79 -0.16 0.00 -0.00 0.00 0.00 31.31 29.77 1x51 n TRP 58 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1x51 s GLU 59 N -1.59 1.22 0.52 5.87 0.41 -1.26 -5.00 118.70 118.86 1x51 s GLU 59 Ca 0.61 -0.42 0.30 0.00 -0.41 0.00 0.00 54.97 55.06 1x51 s GLU 59 Cb -0.45 -1.11 1.27 0.00 -1.78 0.00 0.00 34.13 32.06 1x51 s GLU 59 CO 0.62 0.17 1.96 -1.00 -0.49 0.00 0.00 175.26 176.52 1x51 h PRO 60 N 6.27 0.00 -6.09 0.39 0.13 -1.96 -3.44 132.00 127.30 1x51 h PRO 60 Ca -0.33 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.13 1x51 h PRO 60 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1x51 h PRO 60 CO 0.48 0.09 -0.63 0.45 -0.23 0.00 0.00 178.00 178.16 1x51 s SER 61 N -5.88 5.23 0.61 1.44 0.15 -1.26 -4.99 113.70 108.99 1x51 s SER 61 Ca 0.00 0.05 0.39 0.00 0.70 0.00 0.00 55.95 57.09 1x51 s SER 61 Cb 0.10 -1.41 1.97 0.00 -1.71 0.00 0.00 66.02 64.97 1x51 s SER 61 CO 0.57 0.30 2.22 -0.08 1.20 0.00 0.00 173.24 177.45 1x51 h GLU 62 N 4.52 0.00 0.00 5.44 4.81 -2.01 -2.50 114.58 124.83 1x51 h GLU 62 Ca -0.49 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 1x51 h GLU 62 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1x51 h GLU 62 CO 0.57 0.01 -0.67 0.37 -0.73 0.00 0.00 179.01 178.57 1x51 h GLN 63 N 0.00 0.00 -0.96 1.92 5.75 -1.95 -3.31 115.11 116.56 1x51 h GLN 63 Ca -0.00 0.00 0.26 0.00 -0.15 0.00 0.00 58.65 58.76 1x51 h GLN 63 Cb 0.20 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 1x51 h GLN 63 CO 0.00 0.56 0.66 -0.07 -2.65 0.00 0.00 178.83 177.33 1x51 h LEU 64 N -1.00 0.17 0.27 -2.39 4.07 -1.93 0.26 115.31 114.76 1x51 h LEU 64 Ca -0.14 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 1x51 h LEU 64 Cb 0.84 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1x51 h LEU 64 CO -0.09 0.05 -0.13 -0.61 -1.08 0.00 0.00 178.44 176.59 1x51 h GLN 65 N 0.16 -0.35 -0.04 1.13 5.75 -1.60 -1.68 115.11 118.48 1x51 h GLN 65 Ca 0.48 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 59.02 1x51 h GLN 65 Cb 1.62 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 30.25 1x51 h GLN 65 CO -0.09 -0.23 0.03 0.00 -2.65 0.00 0.00 178.83 175.89 1x51 h ARG 66 N -0.43 0.00 0.89 1.69 3.08 -1.53 0.22 114.38 118.30 1x51 h ARG 66 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1x51 h ARG 66 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1x51 h ARG 66 CO 0.06 0.00 -0.43 0.87 -1.07 0.00 0.00 179.97 179.40 1x51 h LYS 67 N 0.00 -1.15 -0.04 0.04 1.57 -0.45 -2.48 116.57 114.06 1x51 h LYS 67 Ca 0.02 0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1x51 h LYS 67 Cb 0.09 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1x51 h LYS 67 CO -0.00 -0.77 -0.50 0.00 -0.57 0.00 0.00 179.45 177.61 1x51 h ALA 68 N -1.35 1.09 0.23 3.86 0.00 -1.08 -3.03 119.26 118.99 1x51 h ALA 68 Ca -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1x51 h ALA 68 Cb 0.91 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1x51 h ALA 68 CO 0.20 0.64 -0.42 1.25 0.00 0.00 0.00 179.25 180.92 1x51 h LEU 69 N 0.08 -1.21 -0.05 0.00 5.85 -0.53 -2.69 115.31 116.76 1x51 h LEU 69 Ca 0.00 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1x51 h LEU 69 Cb 0.91 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1x51 h LEU 69 CO 0.07 -0.52 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.56 1x51 h LEU 70 N -0.73 -0.05 -1.57 2.25 3.38 -1.47 -2.05 115.31 115.07 1x51 h LEU 70 Ca -0.00 0.02 0.49 0.00 0.09 0.00 0.00 57.88 58.47 1x51 h LEU 70 Cb 0.71 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 1x51 h LEU 70 CO -0.18 -0.02 1.02 1.56 0.09 0.00 0.00 178.44 180.91 1x51 h GLN 71 N -0.00 0.03 0.00 1.13 1.08 -1.37 0.90 115.11 116.88 1x51 h GLN 71 Ca 0.03 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1x51 h GLN 71 Cb 0.04 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1x51 h GLN 71 CO -0.05 0.02 -0.00 1.49 -0.95 0.00 0.00 178.83 179.33 1x51 h GLU 72 N 0.03 -0.00 -0.95 1.46 4.57 -1.07 -3.32 114.58 115.30 1x51 h GLU 72 Ca 0.87 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 59.30 1x51 h GLU 72 Cb 3.00 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 31.41 1x51 h GLU 72 CO -0.33 0.33 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.75 1x51 h LEU 73 N -1.00 -0.51 -1.23 1.64 3.38 -0.46 1.14 115.31 118.27 1x51 h LEU 73 Ca -0.00 0.27 0.15 0.00 0.09 0.00 0.00 57.88 58.39 1x51 h LEU 73 Cb 0.33 0.48 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 1x51 h LEU 73 CO 0.00 -0.32 0.59 1.56 0.09 0.00 0.00 178.44 180.36 1x51 h GLN 74 N 0.03 0.70 -0.57 1.13 4.20 -1.38 0.14 115.11 119.36 1x51 h GLN 74 Ca 0.55 -0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.38 1x51 h GLN 74 Cb 1.08 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1x51 h GLN 74 CO -0.89 0.46 0.41 0.00 -0.67 0.00 0.00 178.83 178.14 1x51 h ARG 75 N 0.72 0.03 0.00 1.46 2.47 0.13 -2.12 114.38 117.06 1x51 h ARG 75 Ca 0.47 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 1x51 h ARG 75 Cb 0.75 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1x51 h ARG 75 CO -0.23 0.02 0.00 0.91 0.56 0.00 0.00 179.97 181.23 1x51 n TRP 76 N -4.38 0.00 0.00 3.04 7.02 0.39 -4.70 117.44 118.81 1x51 n TRP 76 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 1x51 n TRP 76 Cb 0.62 -0.13 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 -2.16 -0.13 0.00 6.99 0.00 -0.56 -4.09 120.51 120.57 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 1.18 0.32 3.58 0.00 0.00 -0.80 -4.76 105.19 104.71 1x51 n GLY 78 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 3.12 -0.12 1.61 0.04 -1.26 -4.15 135.00 134.25 1x51 s PRO 79 Ca 0.00 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.12 1x51 s PRO 79 Cb 0.00 -4.24 0.01 0.00 0.04 0.00 0.00 34.50 30.31 1x51 s PRO 79 CO 0.00 -2.12 -0.21 -0.51 0.04 0.00 0.00 177.00 174.20 1x51 s LEU 80 N 7.42 2.01 0.00 -3.56 2.01 -1.26 -5.04 118.68 120.26 1x51 s LEU 80 Ca 0.72 -0.54 -0.16 0.00 0.01 0.00 0.00 54.13 54.16 1x51 s LEU 80 Cb -0.17 -1.34 0.24 0.00 0.01 0.00 0.00 46.19 44.93 1x51 s LEU 80 CO 0.29 0.10 0.85 -0.81 1.01 0.00 0.00 176.35 177.78 1x51 n PRO 81 N 3.87 -2.70 0.06 1.29 -0.04 -1.26 -5.06 135.00 131.16 1x51 n PRO 81 Ca -0.20 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1x51 n PRO 81 Cb 0.52 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.47 3.00 -0.22 0.55 0.00 -1.26 -4.70 120.51 113.42 1x51 n ALA 82 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1x51 n ALA 82 Cb 0.46 0.23 0.10 0.00 0.00 0.00 0.00 19.45 20.25 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 0.89 -0.78 0.00 2.02 -2.04 -0.89 112.91 112.12 1x51 h THR 83 Ca 0.00 -0.20 0.14 0.00 0.77 0.00 0.00 66.41 67.12 1x51 h THR 83 Cb 0.17 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 1x51 h THR 83 CO 0.00 0.10 0.51 0.45 0.37 0.00 0.00 175.52 176.96 1x51 h HIS 84 N 0.57 0.59 -2.82 3.16 -0.00 -1.95 -3.41 115.15 111.29 1x51 h HIS 84 Ca 0.30 0.02 -0.52 0.00 -0.00 0.00 0.00 60.37 60.17 1x51 h HIS 84 Cb 0.27 -0.19 0.04 0.00 -0.00 0.00 0.00 27.41 27.54 1x51 h HIS 84 CO -0.11 0.23 0.89 -1.17 -0.00 0.00 0.00 177.93 177.77 1x51 s LEU 85 N -9.50 4.37 0.17 2.43 2.96 -0.34 -4.77 118.68 113.99 1x51 s LEU 85 Ca -0.09 2.64 -0.13 0.00 -0.22 0.00 0.00 54.13 56.33 1x51 s LEU 85 Cb 0.21 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1x51 s LEU 85 CO 0.77 -0.84 0.40 -0.13 -1.32 0.00 0.00 176.35 175.23 1x51 s ARG 86 N 1.10 1.23 -0.24 1.98 0.52 -1.20 -5.00 118.95 117.34 1x51 s ARG 86 Ca 0.70 -0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 54.83 1x51 s ARG 86 Cb -0.44 0.45 -0.05 0.00 0.52 0.00 0.00 34.95 35.43 1x51 s ARG 86 CO 0.32 -0.48 0.17 -1.58 0.02 0.00 0.00 175.30 173.75 1x51 s HIS 87 N -3.90 3.31 -0.39 -0.53 5.65 -1.26 -2.65 115.29 115.53 1x51 s HIS 87 Ca 0.11 0.24 0.02 0.00 0.25 0.00 0.00 55.06 55.68 1x51 s HIS 87 Cb 0.01 -2.29 0.12 0.00 -1.18 0.00 0.00 32.58 29.24 1x51 s HIS 87 CO -0.03 0.05 0.15 -0.51 -0.65 0.00 0.00 174.74 173.75 1x51 s LEU 88 N 1.11 3.31 0.22 8.88 1.43 -1.06 -4.99 118.68 127.58 1x51 s LEU 88 Ca 0.08 -2.28 0.00 0.00 -1.03 0.00 0.00 54.13 50.90 1x51 s LEU 88 Cb -0.14 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1x51 s LEU 88 CO 0.05 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1x51 n GLY 89 N 4.03 -1.84 3.25 -3.19 0.00 -1.26 -4.59 105.19 101.59 1x51 n GLY 89 Ca 0.04 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 1.16 -0.15 1.61 -1.05 -1.26 -3.47 118.70 113.53 1x51 s GLU 90 Ca 0.00 -1.57 -0.04 0.00 -0.15 0.00 0.00 54.97 53.22 1x51 s GLU 90 Cb 0.00 -0.29 0.05 0.00 -0.44 0.00 0.00 34.13 33.46 1x51 s GLU 90 CO 0.00 -0.15 0.06 0.08 0.95 0.00 0.00 175.26 176.20 1x51 s VAL 91 N -3.65 0.14 -0.26 1.83 1.01 -0.20 -4.89 120.40 114.38 1x51 s VAL 91 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1x51 s VAL 91 Cb 0.06 -0.66 0.07 0.00 0.00 0.00 0.00 36.38 35.85 1x51 s VAL 91 CO 0.05 -0.16 -0.01 -0.69 0.00 0.00 0.00 175.10 174.29 1x51 s VAL 92 N 2.04 1.55 -0.15 2.92 1.01 -1.26 0.21 120.40 126.72 1x51 s VAL 92 Ca 0.02 -1.43 -0.08 0.00 0.00 0.00 0.00 61.98 60.49 1x51 s VAL 92 Cb -0.16 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1x51 s VAL 92 CO -0.08 -0.27 0.12 -2.28 0.00 0.00 0.00 175.10 172.59 1x51 s HIS 93 N 1.35 3.46 -0.29 5.22 2.46 -1.10 -4.98 115.29 121.42 1x51 s HIS 93 Ca -0.01 0.38 -0.12 0.00 0.47 0.00 0.00 55.06 55.79 1x51 s HIS 93 Cb -0.19 -2.02 -0.04 0.00 -0.13 0.00 0.00 32.58 30.20 1x51 s HIS 93 CO -0.09 0.50 0.21 0.95 -2.47 0.00 0.00 174.74 173.83 1x51 s THR 94 N -0.38 5.30 0.57 0.89 -4.23 -1.26 -1.94 115.64 114.58 1x51 s THR 94 Ca 0.11 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 1x51 s THR 94 Cb -0.12 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 70.22 1x51 s THR 94 CO 0.01 0.20 0.63 -0.36 -0.54 0.00 0.00 174.62 174.56 1x51 s PHE 95 N 1.77 1.44 -0.21 3.99 0.08 -0.58 -4.99 117.98 119.49 1x51 s PHE 95 Ca 0.07 -0.79 -0.35 0.00 0.12 0.00 0.00 56.93 55.98 1x51 s PHE 95 Cb -0.16 -2.07 -0.12 0.00 -0.57 0.00 0.00 43.02 40.10 1x51 s PHE 95 CO 0.11 -0.89 1.97 0.45 -0.10 0.00 0.00 175.22 176.76 1x51 n SER 96 N -2.05 2.85 -2.32 1.36 2.88 -1.26 -1.21 113.62 113.86 1x51 n SER 96 Ca 0.08 0.77 -0.02 0.00 -1.33 0.00 0.00 58.87 58.37 1x51 n SER 96 Cb 0.63 -1.31 -0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1x51 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x51 n HIS 97 N 7.74 -1.77 -4.11 0.66 1.44 -1.26 -4.86 115.22 113.06 1x51 n HIS 97 Ca 0.29 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.92 1x51 n HIS 97 Cb 0.25 -1.33 -0.10 0.00 0.12 0.00 0.00 29.99 28.94 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 -2.01 0.36 -0.03 0.61 1.01 -0.35 -4.60 121.20 116.19 1x51 s ILE 98 Ca 0.00 -1.82 -0.00 0.00 0.00 0.00 0.00 60.65 58.82 1x51 s ILE 98 Cb 0.00 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.96 1x51 s ILE 98 CO 0.00 -0.95 0.03 -0.75 0.00 0.00 0.00 174.94 173.27 1x51 s LYS 99 N -3.83 0.10 0.02 2.79 2.20 0.26 -1.52 119.74 119.75 1x51 s LYS 99 Ca 0.08 0.19 0.08 0.00 -0.36 0.00 0.00 55.97 55.95 1x51 s LYS 99 Cb 0.07 -0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 35.94 1x51 s LYS 99 CO -0.08 -0.20 -0.22 -0.51 -0.36 0.00 0.00 175.35 173.97 1x51 s LEU 100 N 1.35 2.35 -0.20 5.43 2.01 -0.82 -2.74 118.68 126.05 1x51 s LEU 100 Ca -0.05 -0.46 -0.01 0.00 0.01 0.00 0.00 54.13 53.61 1x51 s LEU 100 Cb -0.13 -1.40 0.06 0.00 0.01 0.00 0.00 46.19 44.72 1x51 s LEU 100 CO -0.03 0.28 -0.02 -0.89 1.01 0.00 0.00 176.35 176.71 1x51 s THR 101 N -0.79 1.06 -0.12 5.49 2.01 0.08 -2.69 115.64 120.67 1x51 s THR 101 Ca 0.12 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1x51 s THR 101 Cb -0.10 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1x51 s THR 101 CO 0.02 -0.09 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.45 1x51 s TYR 102 N 1.62 2.88 -0.34 4.92 1.51 0.13 -0.34 117.35 127.73 1x51 s TYR 102 Ca -0.03 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.49 1x51 s TYR 102 Cb -0.17 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1x51 s TYR 102 CO -0.07 -0.04 0.33 -0.65 -1.11 0.00 0.00 175.55 174.00 1x51 s GLN 103 N 0.08 3.53 -0.03 -0.62 -1.52 -0.23 -1.03 119.66 119.84 1x51 s GLN 103 Ca -0.03 -0.50 -0.30 0.00 -1.95 0.00 0.00 55.36 52.58 1x51 s GLN 103 Cb -0.14 -3.81 -0.05 0.00 -0.22 0.00 0.00 33.01 28.79 1x51 s GLN 103 CO 0.04 -0.51 1.40 0.08 -0.25 0.00 0.00 175.29 176.05 1x51 s VAL 104 N 1.93 3.81 -0.26 1.09 1.01 -1.23 -2.13 120.40 124.62 1x51 s VAL 104 Ca 0.10 1.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 1x51 s VAL 104 Cb -0.17 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.56 1x51 s VAL 104 CO 0.11 -0.03 0.08 -0.31 0.00 0.00 0.00 175.10 174.96 1x51 s TYR 105 N 2.71 1.10 0.05 5.22 2.02 -0.84 -2.56 117.35 125.05 1x51 s TYR 105 Ca 0.63 -1.18 -0.25 0.00 -0.37 0.00 0.00 57.07 55.90 1x51 s TYR 105 Cb -0.30 -1.25 -0.06 0.00 -0.40 0.00 0.00 41.96 39.96 1x51 s TYR 105 CO 0.25 -0.76 0.77 0.20 -1.57 0.00 0.00 175.55 174.44 1x51 s GLY 106 N 1.83 2.79 -0.22 0.71 0.00 -1.08 0.28 107.32 111.63 1x51 s GLY 106 Ca 0.05 0.29 -0.05 0.00 0.00 0.00 0.00 44.72 45.01 1x51 s GLY 106 CO -0.21 1.09 0.40 -2.27 0.00 0.00 0.00 173.10 172.11 1x51 s LEU 107 N -0.08 -0.64 0.12 0.66 1.98 -0.98 -3.23 118.68 116.52 1x51 s LEU 107 Ca 0.39 0.64 0.04 0.00 -2.89 0.00 0.00 54.13 52.30 1x51 s LEU 107 Cb -0.21 1.24 -0.04 0.00 0.66 0.00 0.00 46.19 47.84 1x51 s LEU 107 CO 0.23 -0.26 -0.11 0.00 -1.89 0.00 0.00 176.35 174.32 1x51 s ALA 108 N 2.58 1.32 -0.52 5.97 0.00 -1.26 -1.48 121.76 128.37 1x51 s ALA 108 Ca 0.05 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.45 1x51 s ALA 108 Cb -0.14 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1x51 s ALA 108 CO -0.14 -0.04 0.82 -0.51 0.00 0.00 0.00 175.76 175.90 1x51 s LEU 109 N -2.75 4.36 0.27 0.00 1.43 -0.43 -4.92 118.68 116.65 1x51 s LEU 109 Ca 0.11 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1x51 s LEU 109 Cb -0.01 -2.75 0.63 0.00 0.03 0.00 0.00 46.19 44.09 1x51 s LEU 109 CO 0.01 -1.07 1.68 -0.08 0.23 0.00 0.00 176.35 177.12 1x51 h GLU 110 N 9.16 0.31 0.00 1.70 4.81 -1.99 -3.39 114.58 125.17 1x51 h GLU 110 Ca -0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1x51 h GLU 110 Cb 1.08 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1x51 h GLU 110 CO 1.03 0.20 0.00 0.41 -0.73 0.00 0.00 179.01 179.92 1x51 n GLY 111 N -1.35 0.00 0.00 1.92 0.00 -1.26 -4.97 105.19 99.52 1x51 n GLY 111 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.01 -3.61 1.61 6.02 -1.26 -5.08 117.38 115.07 1x51 n GLN 112 Ca 0.00 0.13 -0.15 0.00 -0.01 0.00 0.00 57.00 56.97 1x51 n GLN 112 Cb 0.00 -0.65 -0.07 0.00 1.02 0.00 0.00 30.24 30.54 1x51 n GLN 112 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1x51 s THR 113 N -1.04 0.00 0.00 5.09 -4.23 -1.26 -5.18 115.64 109.02 1x51 s THR 113 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1x51 s THR 113 Cb 0.00 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1x51 s THR 113 CO 0.01 -0.00 0.00 -0.81 -0.54 0.00 0.00 174.62 173.28 1x51 n PRO 114 N 2.26 -0.74 0.00 3.99 -0.04 -1.26 -5.05 135.00 134.16 1x51 n PRO 114 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1x51 n PRO 114 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1x51 n PRO 114 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1x51 n VAL 115 N -2.23 0.00 -3.78 0.52 3.14 -1.26 -4.94 118.33 109.78 1x51 n VAL 115 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 1x51 n VAL 115 Cb 0.00 -0.51 -0.07 0.00 -1.06 0.00 0.00 33.84 32.21 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 -2.44 -0.37 -3.52 1.55 -2.24 -1.26 -4.85 114.28 101.16 1x51 n THR 116 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1x51 n THR 116 Cb 0.48 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.33 -0.64 -0.07 4.28 2.01 -1.26 -5.17 115.64 111.46 1x51 s THR 117 Ca 0.31 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 1x51 s THR 117 Cb -0.18 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.36 1x51 s THR 117 CO 0.74 0.00 0.18 0.54 -0.69 0.00 0.00 174.62 175.39 1x51 s VAL 118 N 2.52 -0.02 0.91 3.82 0.11 -1.26 -4.50 120.40 121.98 1x51 s VAL 118 Ca -0.04 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 1x51 s VAL 118 Cb -0.08 -0.27 0.14 0.00 -1.53 0.00 0.00 36.38 34.63 1x51 s VAL 118 CO -0.18 0.03 1.09 -2.16 -3.33 0.00 0.00 175.10 170.55 1x51 s PRO 119 N 0.53 1.16 -0.69 1.54 0.04 -1.26 -4.91 135.00 131.40 1x51 s PRO 119 Ca -0.04 0.79 -0.26 0.00 0.04 0.00 0.00 61.00 61.53 1x51 s PRO 119 Cb -0.05 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1x51 s PRO 119 CO -0.03 -2.30 1.89 -1.25 0.04 0.00 0.00 177.00 175.35 1x51 s PRO 120 N -4.94 2.60 0.00 0.56 0.04 -1.26 -2.77 135.00 129.24 1x51 s PRO 120 Ca 0.64 0.36 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1x51 s PRO 120 Cb -0.18 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.78 1x51 s PRO 120 CO 0.57 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1x51 n GLY 121 N 6.02 0.36 3.57 0.56 0.00 -1.26 -5.11 105.19 109.33 1x51 n GLY 121 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 2.95 0.05 4.61 0.00 -1.11 -2.13 121.76 126.12 1x51 s ALA 122 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 51.96 50.55 1x51 s ALA 122 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 1x51 s ALA 122 CO 0.00 0.48 -0.12 0.50 0.00 0.00 0.00 175.76 176.63 1x51 s ARG 123 N -2.77 0.72 -0.40 0.00 3.52 0.62 -4.88 118.95 115.76 1x51 s ARG 123 Ca 0.25 -0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 55.00 1x51 s ARG 123 Cb -0.09 -0.65 0.10 0.00 -1.56 0.00 0.00 34.95 32.75 1x51 s ARG 123 CO 0.15 0.14 0.20 -1.58 -0.81 0.00 0.00 175.30 173.40 1x51 s TRP 124 N -1.17 3.53 0.39 5.12 0.52 -1.26 -0.93 118.94 125.14 1x51 s TRP 124 Ca -0.04 -2.25 0.07 0.00 0.02 0.00 0.00 56.10 53.90 1x51 s TRP 124 Cb -0.09 -3.10 -0.08 0.00 -1.15 0.00 0.00 33.47 29.05 1x51 s TRP 124 CO 0.01 -0.95 0.01 -0.48 0.02 0.00 0.00 176.95 175.56 1x51 s LEU 125 N 1.19 2.79 0.49 2.99 0.05 -1.05 -4.97 118.68 120.16 1x51 s LEU 125 Ca 0.06 -1.36 -0.02 0.00 0.05 0.00 0.00 54.13 52.87 1x51 s LEU 125 Cb -0.23 -0.85 -0.00 0.00 -2.05 0.00 0.00 46.19 43.07 1x51 s LEU 125 CO -0.03 -0.45 0.74 0.42 -0.55 0.00 0.00 176.35 176.48 1x51 s THR 126 N -2.77 3.91 0.23 5.48 -4.23 -1.26 -0.18 115.64 116.82 1x51 s THR 126 Ca 0.35 -0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1x51 s THR 126 Cb 0.09 -3.48 0.23 0.00 1.34 0.00 0.00 72.50 70.68 1x51 s THR 126 CO 0.18 -0.38 1.67 1.56 -0.54 0.00 0.00 174.62 177.10 1x51 h GLN 127 N 0.23 0.17 -0.79 3.99 7.50 -1.93 0.17 115.11 124.45 1x51 h GLN 127 Ca -0.46 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 58.66 1x51 h GLN 127 Cb 1.25 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.71 1x51 h GLN 127 CO 0.58 0.11 0.41 0.93 -1.50 0.00 0.00 178.83 179.36 1x51 h GLU 128 N 0.17 1.11 -0.21 1.46 5.08 -1.94 -2.80 114.58 117.46 1x51 h GLU 128 Ca 0.38 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1x51 h GLU 128 Cb 0.64 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1x51 h GLU 128 CO -0.55 0.84 0.07 0.93 -1.00 0.00 0.00 179.01 179.30 1x51 h GLU 129 N 1.11 0.32 -0.25 2.33 4.39 -1.12 -3.16 114.58 118.22 1x51 h GLU 129 Ca 0.28 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.97 1x51 h GLU 129 Cb 0.07 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.59 1x51 h GLU 129 CO -0.04 0.41 -0.35 0.35 -1.16 0.00 0.00 179.01 178.23 1x51 h PHE 130 N 0.17 -0.97 -0.62 4.33 3.04 -0.79 -1.64 116.94 120.46 1x51 h PHE 130 Ca 0.07 0.05 0.06 0.00 3.98 0.00 0.00 57.97 62.12 1x51 h PHE 130 Cb 0.22 0.46 -0.07 0.00 2.56 0.00 0.00 35.95 39.12 1x51 h PHE 130 CO 0.00 -0.41 -0.37 0.72 -2.02 0.00 0.00 178.31 176.24 1x51 n HIS 131 N -5.42 -0.27 0.20 0.41 8.25 -1.11 0.19 115.22 117.48 1x51 n HIS 131 Ca -0.02 0.78 0.15 0.00 -0.26 0.00 0.00 57.72 58.37 1x51 n HIS 131 Cb 0.34 -0.54 0.77 0.00 1.12 0.00 0.00 29.99 31.68 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 0.67 -3.85 1.59 1.35 -1.52 -3.43 112.91 107.72 1x51 h THR 132 Ca 0.10 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.41 1x51 h THR 132 Cb 0.25 0.89 0.18 0.00 -1.73 0.00 0.00 68.15 67.75 1x51 h THR 132 CO -0.58 0.00 0.15 0.00 -0.25 0.00 0.00 175.52 174.83 1x51 n ALA 133 N -2.44 -0.19 -2.56 6.62 0.00 0.51 -4.89 120.51 117.56 1x51 n ALA 133 Ca 0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 1x51 n ALA 133 Cb 0.26 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.86 2.76 0.14 0.00 0.00 -1.26 -4.98 121.76 116.56 1x51 s ALA 134 Ca 0.73 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1x51 s ALA 134 Cb -0.33 -4.26 -0.04 0.00 0.00 0.00 0.00 23.12 18.49 1x51 s ALA 134 CO 0.50 -3.29 -0.11 0.08 0.00 0.00 0.00 175.76 172.94 1x51 s VAL 135 N 5.66 1.22 0.32 0.00 1.01 -1.26 -3.30 120.40 124.05 1x51 s VAL 135 Ca 0.35 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.21 1x51 s VAL 135 Cb -0.08 -1.75 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 1x51 s VAL 135 CO 0.14 -0.65 0.75 -0.94 0.00 0.00 0.00 175.10 174.39 1x51 s SER 136 N -2.97 6.82 0.02 3.32 1.04 -1.26 -4.82 113.70 115.85 1x51 s SER 136 Ca 0.14 1.32 -0.03 0.00 0.48 0.00 0.00 55.95 57.86 1x51 s SER 136 Cb 0.00 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 1x51 s SER 136 CO 0.01 -0.18 0.78 0.41 0.98 0.00 0.00 173.24 175.24 1x51 n THR 137 N -0.24 -0.07 -0.39 2.02 -1.04 -1.26 0.28 114.28 113.59 1x51 n THR 137 Ca 0.03 1.17 -0.09 0.00 -2.04 0.00 0.00 64.05 63.12 1x51 n THR 137 Cb 0.53 -1.54 -0.08 0.00 -1.82 0.00 0.00 70.33 67.42 1x51 n THR 137 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x51 n ALA 138 N -2.82 -0.55 0.22 2.41 0.00 -1.26 0.20 120.51 118.71 1x51 n ALA 138 Ca 0.00 0.80 0.11 0.00 0.00 0.00 0.00 53.44 54.36 1x51 n ALA 138 Cb 0.03 -0.16 0.69 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 0.01 0.00 2.07 -1.17 0.32 114.93 116.15 1x51 h MET 139 Ca 0.17 0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.60 1x51 h MET 139 Cb 0.40 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.11 1x51 h MET 139 CO -0.88 0.00 -0.89 0.87 1.07 0.00 0.00 176.91 177.08 1x51 h LYS 140 N 0.00 0.11 0.00 1.72 1.57 0.69 -3.16 116.57 117.50 1x51 h LYS 140 Ca 0.05 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1x51 h LYS 140 Cb 0.19 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1x51 h LYS 140 CO -0.00 0.92 -0.57 0.36 -0.57 0.00 0.00 179.45 179.59 1x51 n LYS 141 N -3.59 0.10 0.22 3.15 2.85 0.22 -3.77 118.16 117.35 1x51 n LYS 141 Ca -0.02 0.02 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 1x51 n LYS 141 Cb 0.82 -1.56 0.46 0.00 -0.65 0.00 0.00 35.03 34.10 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 0.00 0.03 0.58 2.07 -0.40 -3.14 116.25 115.39 1x51 h VAL 142 Ca 0.00 -0.64 -0.29 0.00 0.82 0.00 0.00 66.70 66.59 1x51 h VAL 142 Cb 0.58 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1x51 h VAL 142 CO 0.00 0.00 -1.59 0.33 0.02 0.00 0.00 177.57 176.33 1x51 n PHE 143 N -2.90 0.95 0.31 1.57 7.35 -1.25 -4.07 117.46 119.42 1x51 n PHE 143 Ca 0.02 0.35 0.18 0.00 -0.76 0.00 0.00 57.45 57.24 1x51 n PHE 143 Cb 0.39 -1.10 0.94 0.00 0.35 0.00 0.00 39.48 40.05 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 -0.74 0.00 0.00 -4.13 0.11 -1.67 0.43 114.38 108.38 1x51 h ARG 144 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1x51 h ARG 144 Cb 1.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.60 1x51 h ARG 144 CO -0.16 0.00 -0.26 0.28 0.10 0.00 0.00 179.97 179.92 1x51 h VAL 145 N 0.00 0.00 0.01 0.08 2.07 -1.69 -3.27 116.25 113.45 1x51 h VAL 145 Ca 0.00 -0.93 -0.33 0.00 0.82 0.00 0.00 66.70 66.26 1x51 h VAL 145 Cb 0.34 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 1x51 h VAL 145 CO 0.00 0.00 -2.02 0.00 0.02 0.00 0.00 177.57 175.57 1x51 n TYR 146 N -2.88 0.60 -0.18 1.57 9.36 0.14 -4.23 117.16 121.54 1x51 n TYR 146 Ca 0.03 0.21 -0.03 0.00 3.32 0.00 0.00 57.90 61.42 1x51 n TYR 146 Cb 0.52 -1.11 0.16 0.00 -0.63 0.00 0.00 39.34 38.29 1x51 n TYR 146 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1x51 h GLN 147 N 0.00 0.94 -1.64 2.98 4.20 -1.40 -2.84 115.11 117.35 1x51 h GLN 147 Ca -0.41 -0.18 -0.42 0.00 0.06 0.00 0.00 58.65 57.71 1x51 h GLN 147 Cb 2.10 -0.15 -0.17 0.00 0.30 0.00 0.00 27.48 29.56 1x51 h GLN 147 CO 0.05 0.80 0.46 0.41 -0.67 0.00 0.00 178.83 179.88 1x51 n GLY 148 N -0.90 4.36 3.25 3.46 0.00 -1.23 -4.89 105.19 109.24 1x51 n GLY 148 Ca 0.05 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.99 1.31 1.24 1.61 -1.52 -1.08 -5.05 119.66 114.18 1x51 s GLN 149 Ca 0.43 -1.65 -0.17 0.00 -1.95 0.00 0.00 55.36 52.03 1x51 s GLN 149 Cb 0.32 0.30 0.30 0.00 -0.22 0.00 0.00 33.01 33.70 1x51 s GLN 149 CO -0.08 -0.45 1.01 -1.12 -0.25 0.00 0.00 175.29 174.40 1x51 s SER 150 N -3.17 0.48 0.00 5.90 0.01 -1.26 -4.57 113.70 111.08 1x51 s SER 150 Ca 0.38 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1x51 s SER 150 Cb 0.06 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1x51 s SER 150 CO 0.14 -4.46 0.00 0.61 0.41 0.00 0.00 173.24 169.94 1x51 n GLY 151 N 0.50 2.22 0.05 3.44 0.00 -1.26 -4.83 105.19 105.31 1x51 n GLY 151 Ca 0.07 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.47 1x51 n GLY 151 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x51 n PRO 152 N 0.00 0.07 -2.20 1.61 -0.04 -1.26 -4.67 135.00 128.51 1x51 n PRO 152 Ca 0.00 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.35 1x51 n PRO 152 Cb 0.00 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1x51 n PRO 152 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x51 s SER 153 N -3.44 6.04 -0.35 3.54 1.04 -1.26 -4.97 113.70 114.30 1x51 s SER 153 Ca 0.06 0.87 -0.19 0.00 0.48 0.00 0.00 55.95 57.17 1x51 s SER 153 Cb 0.09 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.68 1x51 s SER 153 CO 0.31 -1.67 0.57 -0.55 0.98 0.00 0.00 173.24 172.87 1x51 s SER 154 N 5.21 6.37 0.00 7.02 0.15 -1.26 -5.14 113.70 126.05 1x51 s SER 154 Ca 0.67 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1x51 s SER 154 Cb -0.16 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1x51 s SER 154 CO 0.31 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.84