#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 5.16 -0.70 1.61 1.04 -1.26 -4.92 113.70 114.63 1x51 s SER 2 Ca 0.00 0.15 -0.27 0.00 0.48 0.00 0.00 55.95 56.31 1x51 s SER 2 Cb 0.00 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.61 1x51 s SER 2 CO 0.00 -2.53 1.29 -0.44 0.98 0.00 0.00 173.24 172.54 1x51 s SER 3 N 8.41 6.19 -0.31 7.02 0.01 -1.26 -4.73 113.70 129.03 1x51 s SER 3 Ca 0.70 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1x51 s SER 3 Cb -0.12 -2.56 0.30 0.00 0.21 0.00 0.00 66.02 63.86 1x51 s SER 3 CO 0.16 -1.78 1.36 0.61 0.41 0.00 0.00 173.24 174.00 1x51 n GLY 4 N 5.32 -1.87 3.76 3.44 0.00 -1.26 -5.15 105.19 109.44 1x51 n GLY 4 Ca 0.05 1.04 -0.41 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.07 6.72 -0.04 1.61 0.15 -1.26 -4.95 113.70 115.86 1x51 s SER 5 Ca 0.23 2.70 -0.05 0.00 0.70 0.00 0.00 55.95 59.53 1x51 s SER 5 Cb 0.25 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1x51 s SER 5 CO -0.14 -0.59 -0.12 -1.20 1.20 0.00 0.00 173.24 172.39 1x51 n SER 6 N 1.13 1.00 -0.18 5.45 7.64 -1.26 -5.09 113.62 122.31 1x51 n SER 6 Ca 0.02 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1x51 n SER 6 Cb 0.41 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 2.62 1.84 0.25 0.23 0.00 -1.26 -5.01 105.19 103.86 1x51 n GLY 7 Ca -0.12 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 1x51 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x51 h PRO 8 N 0.00 0.76 -3.73 1.61 0.13 -1.97 -3.46 132.00 125.34 1x51 h PRO 8 Ca 0.00 -0.40 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 1x51 h PRO 8 Cb 0.00 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 30.96 1x51 h PRO 8 CO 0.00 1.02 -0.52 1.03 -0.23 0.00 0.00 178.00 179.31 1x51 s ARG 9 N -4.32 0.56 0.00 0.86 1.81 -1.26 -5.08 118.95 111.52 1x51 s ARG 9 Ca -0.09 -0.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 1x51 s ARG 9 Cb 0.12 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.84 1x51 s ARG 9 CO 0.85 -0.14 0.87 1.17 -0.68 0.00 0.00 175.30 177.38 1x51 n LYS 10 N 0.94 0.00 -2.58 3.54 0.00 -1.26 -4.00 118.16 114.81 1x51 n LYS 10 Ca -0.20 0.87 -0.43 0.00 0.00 0.00 0.00 58.31 58.55 1x51 n LYS 10 Cb 0.58 -1.34 -0.02 0.00 0.00 0.00 0.00 35.03 34.25 1x51 n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x51 s ALA 11 N -3.77 3.46 -1.22 3.14 0.00 -1.26 -4.91 121.76 117.20 1x51 s ALA 11 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 1x51 s ALA 11 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1x51 s ALA 11 CO 0.00 -1.57 1.87 0.43 0.00 0.00 0.00 175.76 176.50 1x51 n SER 12 N 7.07 3.83 -0.13 0.00 7.64 -1.26 -4.58 113.62 126.19 1x51 n SER 12 Ca 0.13 -2.79 -0.26 0.00 1.01 0.00 0.00 58.87 56.95 1x51 n SER 12 Cb 0.47 -1.69 -0.10 0.00 -1.01 0.00 0.00 64.21 61.88 1x51 n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x51 n ARG 13 N 8.08 0.58 -4.03 1.43 5.12 -1.26 -5.03 116.66 121.55 1x51 n ARG 13 Ca 0.47 0.36 -0.09 0.00 -1.93 0.00 0.00 57.85 56.66 1x51 n ARG 13 Cb 0.45 -1.57 -0.11 0.00 -1.16 0.00 0.00 32.46 30.08 1x51 n ARG 13 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1x51 s LYS 14 N -2.48 0.44 0.95 5.56 -0.14 -1.26 -5.16 119.74 117.64 1x51 s LYS 14 Ca -0.35 -0.82 -0.12 0.00 -1.36 0.00 0.00 55.97 53.32 1x51 s LYS 14 Cb 0.12 0.07 0.16 0.00 -1.68 0.00 0.00 37.83 36.50 1x51 s LYS 14 CO 0.51 -0.05 1.09 -1.25 -0.76 0.00 0.00 175.35 174.89 1x51 s PRO 15 N -2.23 0.86 0.36 -1.68 0.04 -1.26 -4.91 135.00 126.18 1x51 s PRO 15 Ca -0.08 0.68 0.15 0.00 0.04 0.00 0.00 61.00 61.78 1x51 s PRO 15 Cb -0.05 -1.77 0.67 0.00 0.04 0.00 0.00 34.50 33.39 1x51 s PRO 15 CO -0.03 -2.48 1.76 -1.00 0.04 0.00 0.00 177.00 175.29 1x51 h PRO 16 N -1.72 0.00 -0.80 0.56 0.13 -1.99 -3.30 132.00 124.88 1x51 h PRO 16 Ca -0.52 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1x51 h PRO 16 Cb 1.31 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.34 1x51 h PRO 16 CO 0.56 0.42 -0.47 0.54 -0.23 0.00 0.00 178.00 178.82 1x51 n ARG 17 N -3.82 -0.35 -2.83 0.86 1.74 -1.26 -3.37 116.66 107.62 1x51 n ARG 17 Ca -0.01 1.27 -0.43 0.00 -0.77 0.00 0.00 57.85 57.91 1x51 n ARG 17 Cb 0.48 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 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 -5.25 3.13 -0.16 5.56 2.02 -1.25 -1.91 118.70 120.85 1x51 s GLU 18 Ca -0.10 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.10 1x51 s GLU 18 Cb 0.09 -4.22 0.07 0.00 0.10 0.00 0.00 34.13 30.18 1x51 s GLU 18 CO 0.50 -1.83 0.19 -1.21 0.02 0.00 0.00 175.26 172.92 1x51 s GLU 19 N 4.20 0.12 0.03 1.61 0.41 -1.22 -4.91 118.70 118.95 1x51 s GLU 19 Ca 0.24 0.31 0.08 0.00 -0.41 0.00 0.00 54.97 55.18 1x51 s GLU 19 Cb -0.16 -0.94 -0.03 0.00 -1.78 0.00 0.00 34.13 31.22 1x51 s GLU 19 CO 0.11 -0.53 -0.24 -1.12 -0.49 0.00 0.00 175.26 172.98 1x51 s SER 20 N 2.30 2.91 0.04 -0.19 0.01 -1.26 -1.99 113.70 115.51 1x51 s SER 20 Ca 0.05 -0.54 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 1x51 s SER 20 Cb -0.14 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.82 1x51 s SER 20 CO -0.10 0.24 0.23 -0.44 0.41 0.00 0.00 173.24 173.59 1x51 s SER 21 N -1.07 -0.02 -0.27 2.44 0.01 -0.65 -3.13 113.70 111.00 1x51 s SER 21 Ca 0.10 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.07 1x51 s SER 21 Cb -0.10 0.31 0.05 0.00 0.21 0.00 0.00 66.02 66.49 1x51 s SER 21 CO 0.01 -0.57 -0.05 0.00 0.41 0.00 0.00 173.24 173.05 1x51 s ALA 22 N -2.48 2.70 0.02 1.44 0.00 -0.89 -1.67 121.76 120.87 1x51 s ALA 22 Ca -0.06 -1.67 0.02 0.00 0.00 0.00 0.00 51.96 50.25 1x51 s ALA 22 Cb -0.01 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1x51 s ALA 22 CO -0.03 -1.11 -0.00 -0.08 0.00 0.00 0.00 175.76 174.53 1x51 s THR 23 N 1.23 4.09 0.19 0.00 -1.32 -0.87 -1.66 115.64 117.30 1x51 s THR 23 Ca -0.05 -0.68 0.07 0.00 -1.21 0.00 0.00 61.69 59.82 1x51 s THR 23 Cb -0.19 -2.84 -0.05 0.00 -1.51 0.00 0.00 72.50 67.91 1x51 s THR 23 CO -0.03 0.33 -0.13 0.00 -2.21 0.00 0.00 174.62 172.58 1x51 s VAL 25 N -3.10 3.03 -0.16 0.00 1.01 0.14 -4.49 120.40 116.84 1x51 s VAL 25 Ca 0.21 -1.54 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 1x51 s VAL 25 Cb 0.01 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1x51 s VAL 25 CO 0.05 -0.24 0.51 -0.22 0.00 0.00 0.00 175.10 175.20 1x51 s LEU 26 N 1.22 4.21 0.07 3.92 2.96 -1.25 -0.62 118.68 129.18 1x51 s LEU 26 Ca -0.02 0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 54.55 1x51 s LEU 26 Cb -0.20 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.77 1x51 s LEU 26 CO -0.02 -0.10 0.20 -0.70 -1.32 0.00 0.00 176.35 174.42 1x51 s GLU 27 N 1.17 0.79 0.01 1.98 2.12 -0.32 -2.20 118.70 122.25 1x51 s GLU 27 Ca 0.25 -0.81 -0.10 0.00 0.36 0.00 0.00 54.97 54.67 1x51 s GLU 27 Cb -0.15 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.57 1x51 s GLU 27 CO 0.10 -0.25 0.21 1.14 -0.54 0.00 0.00 175.26 175.92 1x51 s GLN 28 N -3.33 0.59 -0.10 4.30 0.00 -1.23 -0.61 119.66 119.29 1x51 s GLN 28 Ca 0.01 -0.38 -0.29 0.00 -0.00 0.00 0.00 55.36 54.69 1x51 s GLN 28 Cb 0.02 0.25 -0.04 0.00 0.00 0.00 0.00 33.01 33.25 1x51 s GLN 28 CO -0.08 -0.16 1.53 -1.25 0.00 0.00 0.00 175.29 175.33 1x51 s PRO 29 N -1.62 4.18 0.00 9.60 0.04 -1.26 -3.41 135.00 142.53 1x51 s PRO 29 Ca -0.12 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1x51 s PRO 29 Cb -0.05 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1x51 s PRO 29 CO 0.01 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1x51 n GLY 30 N 3.98 3.77 0.07 0.56 0.00 -1.09 -4.99 105.19 107.49 1x51 n GLY 30 Ca 0.16 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 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 0.11 0.05 -0.35 4.61 0.00 -1.99 -3.40 119.26 118.29 1x51 h ALA 31 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1x51 h ALA 31 Cb 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1x51 h ALA 31 CO 0.00 0.48 0.03 -0.07 0.00 0.00 0.00 179.25 179.69 1x51 h LEU 32 N -1.00 0.57 0.00 0.00 3.38 -2.01 -3.48 115.31 112.77 1x51 h LEU 32 Ca -0.07 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1x51 h LEU 32 Cb 0.62 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1x51 h LEU 32 CO -0.04 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1x51 n GLY 33 N -0.43 -2.23 3.63 0.83 0.00 -1.26 -5.16 105.19 100.57 1x51 n GLY 33 Ca -0.02 0.71 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.02 -0.08 4.61 0.00 -1.26 -2.67 121.76 119.34 1x51 s ALA 34 Ca 0.00 1.78 0.03 0.00 0.00 0.00 0.00 51.96 53.77 1x51 s ALA 34 Cb 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1x51 s ALA 34 CO 0.00 -0.23 -0.18 -1.14 0.00 0.00 0.00 175.76 174.21 1x51 s GLN 35 N -0.15 2.35 0.64 0.00 0.74 -1.22 -3.99 119.66 118.03 1x51 s GLN 35 Ca 0.03 -0.66 0.04 0.00 0.05 0.00 0.00 55.36 54.82 1x51 s GLN 35 Cb -0.04 -1.85 0.10 0.00 1.10 0.00 0.00 33.01 32.32 1x51 s GLN 35 CO -0.06 0.12 0.88 0.96 -0.55 0.00 0.00 175.29 176.64 1x51 s ILE 36 N 0.44 2.23 -0.03 -2.34 -4.36 -0.12 -3.48 121.20 113.54 1x51 s ILE 36 Ca -0.15 -0.77 0.02 0.00 -0.26 0.00 0.00 60.65 59.48 1x51 s ILE 36 Cb -0.16 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.05 1x51 s ILE 36 CO 0.06 0.00 -0.05 -0.22 0.24 0.00 0.00 174.94 174.97 1x51 s LEU 37 N -4.90 3.27 -0.05 0.37 2.96 -0.93 -2.47 118.68 116.94 1x51 s LEU 37 Ca 0.63 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 54.48 1x51 s LEU 37 Cb -0.06 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1x51 s LEU 37 CO 0.41 0.32 0.04 -0.22 -1.32 0.00 0.00 176.35 175.58 1x51 s LEU 38 N -1.20 0.39 0.41 -0.68 2.96 0.95 -4.71 118.68 116.81 1x51 s LEU 38 Ca 0.16 0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.17 1x51 s LEU 38 Cb -0.11 -0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.32 1x51 s LEU 38 CO 0.06 -0.22 0.30 0.68 -1.32 0.00 0.00 176.35 175.85 1x51 s VAL 39 N 1.97 2.55 0.31 1.68 -7.23 0.55 0.57 120.40 120.80 1x51 s VAL 39 Ca 0.03 -1.48 0.07 0.00 -1.81 0.00 0.00 61.98 58.79 1x51 s VAL 39 Cb -0.12 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 1x51 s VAL 39 CO -0.03 -0.01 0.33 -1.10 -0.31 0.00 0.00 175.10 173.98 1x51 s GLN 40 N -4.04 2.92 0.27 4.82 -0.21 -1.15 -0.20 119.66 122.07 1x51 s GLN 40 Ca 0.45 -1.14 0.06 0.00 0.02 0.00 0.00 55.36 54.76 1x51 s GLN 40 Cb -0.01 -2.62 -0.03 0.00 1.00 0.00 0.00 33.01 31.36 1x51 s GLN 40 CO 0.26 0.16 0.32 1.03 -2.12 0.00 0.00 175.29 174.94 1x51 s ARG 41 N -4.02 3.15 1.07 2.91 0.52 -1.20 -4.92 118.95 116.47 1x51 s ARG 41 Ca 0.40 -0.95 -0.15 0.00 -0.52 0.00 0.00 55.73 54.52 1x51 s ARG 41 Cb -0.07 -2.73 0.22 0.00 0.52 0.00 0.00 34.95 32.89 1x51 s ARG 41 CO 0.28 0.33 1.10 -1.25 0.02 0.00 0.00 175.30 175.78 1x51 s PRO 42 N -3.97 -0.16 -0.61 3.54 0.04 -1.26 -3.96 135.00 128.62 1x51 s PRO 42 Ca 0.36 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.44 1x51 s PRO 42 Cb -0.08 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1x51 s PRO 42 CO 0.28 -3.09 1.41 -0.80 0.04 0.00 0.00 177.00 174.84 1x51 s ASN 43 N -3.59 6.08 -0.15 6.66 -0.87 -1.26 -4.24 114.94 117.56 1x51 s ASN 43 Ca 0.67 0.11 -0.12 0.00 -1.57 0.00 0.00 52.86 51.96 1x51 s ASN 43 Cb -0.16 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.48 1x51 s ASN 43 CO 0.57 -1.78 -0.21 -0.24 -2.57 0.00 0.00 177.10 172.87 1x51 n SER 44 N 9.75 1.84 0.00 -1.22 2.88 -1.26 -5.08 113.62 120.53 1x51 n SER 44 Ca 0.11 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1x51 n SER 44 Cb 0.49 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1x51 n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x51 n GLY 45 N 1.57 -1.66 0.26 0.46 0.00 -1.26 -5.01 105.19 99.55 1x51 n GLY 45 Ca -0.10 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 1x51 n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x51 h LEU 46 N 0.00 -0.51 -7.96 0.99 3.38 -2.02 -3.40 115.31 105.80 1x51 h LEU 46 Ca 0.00 -0.03 -0.77 0.00 0.09 0.00 0.00 57.88 57.16 1x51 h LEU 46 Cb 0.00 0.13 -0.25 0.00 0.09 0.00 0.00 40.66 40.63 1x51 h LEU 46 CO 0.00 -0.08 -0.07 -0.22 0.09 0.00 0.00 178.44 178.16 1x51 s LEU 47 N -9.24 6.46 0.11 1.67 2.96 -1.26 -5.02 118.68 114.36 1x51 s LEU 47 Ca -0.10 -2.24 -0.05 0.00 -0.22 0.00 0.00 54.13 51.52 1x51 s LEU 47 Cb 0.01 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1x51 s LEU 47 CO 0.33 -0.71 0.13 0.00 -1.32 0.00 0.00 176.35 174.77 1x51 s ALA 48 N 0.88 0.34 -0.54 5.97 0.00 -1.26 -4.70 121.76 122.45 1x51 s ALA 48 Ca 0.10 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1x51 s ALA 48 Cb -0.20 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1x51 s ALA 48 CO -0.03 -0.51 0.35 0.41 0.00 0.00 0.00 175.76 175.98 1x51 n GLY 49 N -0.08 0.32 4.01 0.00 0.00 -1.25 -5.02 105.19 103.18 1x51 n GLY 49 Ca -0.10 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.10 3.35 -0.35 0.99 2.01 -1.26 -4.90 118.68 115.41 1x51 s LEU 50 Ca 0.17 -0.53 -0.08 0.00 0.01 0.00 0.00 54.13 53.70 1x51 s LEU 50 Cb -0.08 -2.24 0.03 0.00 0.01 0.00 0.00 46.19 43.92 1x51 s LEU 50 CO 0.21 -1.12 0.15 0.26 1.01 0.00 0.00 176.35 176.86 1x51 s TRP 51 N -2.59 3.24 0.15 0.29 0.52 -1.06 -3.25 118.94 116.25 1x51 s TRP 51 Ca 0.59 -1.17 -0.05 0.00 0.02 0.00 0.00 56.10 55.49 1x51 s TRP 51 Cb -0.08 -2.34 -0.03 0.00 -1.15 0.00 0.00 33.47 29.87 1x51 s TRP 51 CO 0.37 -0.68 0.17 -1.83 0.02 0.00 0.00 176.95 175.00 1x51 s GLU 52 N 1.48 1.06 0.56 4.98 1.03 0.72 -4.07 118.70 124.46 1x51 s GLU 52 Ca 0.00 -1.33 -0.18 0.00 0.03 0.00 0.00 54.97 53.49 1x51 s GLU 52 Cb -0.19 0.31 -0.05 0.00 -0.80 0.00 0.00 34.13 33.40 1x51 s GLU 52 CO 0.04 -0.35 1.09 -0.06 -1.33 0.00 0.00 175.26 174.66 1x51 s PHE 53 N -4.02 2.80 0.36 4.83 0.08 -1.26 -0.33 117.98 120.43 1x51 s PHE 53 Ca 0.22 1.55 -0.27 0.00 0.12 0.00 0.00 56.93 58.55 1x51 s PHE 53 Cb 0.05 -3.16 -0.09 0.00 -0.57 0.00 0.00 43.02 39.25 1x51 s PHE 53 CO 0.02 -1.34 1.20 -1.25 -0.10 0.00 0.00 175.22 173.76 1x51 s PRO 54 N -3.59 4.24 0.10 0.24 0.04 -1.26 -4.81 135.00 129.96 1x51 s PRO 54 Ca 0.69 1.96 -0.07 0.00 0.04 0.00 0.00 61.00 63.61 1x51 s PRO 54 Cb -0.20 -2.89 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 1x51 s PRO 54 CO 0.30 -0.20 0.18 -1.54 0.04 0.00 0.00 177.00 175.78 1x51 s SER 55 N -0.88 0.15 0.42 6.66 1.04 -1.26 -3.05 113.70 116.79 1x51 s SER 55 Ca 0.52 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 56.22 1x51 s SER 55 Cb -0.34 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1x51 s SER 55 CO 0.44 -0.75 0.05 0.68 0.98 0.00 0.00 173.24 174.63 1x51 s VAL 56 N -3.90 1.18 0.46 5.02 -7.23 -0.66 -4.95 120.40 110.31 1x51 s VAL 56 Ca 0.09 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.01 1x51 s VAL 56 Cb 0.05 -2.51 -0.08 0.00 0.56 0.00 0.00 36.38 34.40 1x51 s VAL 56 CO -0.08 0.00 1.38 0.42 -0.31 0.00 0.00 175.10 176.52 1x51 s THR 57 N -3.02 2.22 1.13 5.32 -4.23 -1.26 -2.10 115.64 113.69 1x51 s THR 57 Ca 0.23 0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 60.79 1x51 s THR 57 Cb 0.05 -3.11 0.22 0.00 1.34 0.00 0.00 72.50 71.00 1x51 s THR 57 CO 0.12 0.02 0.76 1.87 -0.54 0.00 0.00 174.62 176.85 1x51 n TRP 58 N -0.27 -1.09 -3.66 3.99 -0.00 -1.18 -4.62 117.44 110.61 1x51 n TRP 58 Ca 0.06 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.50 57.45 1x51 n TRP 58 Cb 0.43 -1.71 -0.08 0.00 -0.00 0.00 0.00 31.31 29.95 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 -4.16 0.62 0.53 5.87 0.41 -1.26 -4.95 118.70 115.75 1x51 s GLU 59 Ca 0.65 1.02 0.33 0.00 -0.41 0.00 0.00 54.97 56.56 1x51 s GLU 59 Cb -0.22 0.14 1.37 0.00 -1.78 0.00 0.00 34.13 33.64 1x51 s GLU 59 CO 0.65 -0.14 1.97 -1.00 -0.49 0.00 0.00 175.26 176.25 1x51 h PRO 60 N 6.63 0.00 -5.18 0.39 0.13 -1.98 -3.43 132.00 128.56 1x51 h PRO 60 Ca -0.32 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.19 1x51 h PRO 60 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1x51 h PRO 60 CO 0.19 0.00 -0.59 0.45 -0.23 0.00 0.00 178.00 177.82 1x51 s SER 61 N -5.53 5.40 0.42 1.44 0.15 -1.26 -4.98 113.70 109.34 1x51 s SER 61 Ca 0.01 -0.03 0.20 0.00 0.70 0.00 0.00 55.95 56.83 1x51 s SER 61 Cb 0.09 -1.93 1.14 0.00 -1.71 0.00 0.00 66.02 63.60 1x51 s SER 61 CO 0.52 0.11 1.80 1.05 1.20 0.00 0.00 173.24 177.93 1x51 h GLU 62 N 7.17 0.35 0.13 5.44 4.11 -2.01 -1.81 114.58 127.96 1x51 h GLU 62 Ca -0.36 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 1x51 h GLU 62 Cb 1.17 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1x51 h GLU 62 CO 0.65 0.23 -0.06 0.37 0.07 0.00 0.00 179.01 180.27 1x51 h GLN 63 N 0.36 -0.17 -1.06 1.06 4.15 -1.95 -3.05 115.11 114.45 1x51 h GLN 63 Ca 0.55 0.01 0.40 0.00 0.77 0.00 0.00 58.65 60.39 1x51 h GLN 63 Cb 1.46 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 29.04 1x51 h GLN 63 CO -0.23 -0.12 0.63 1.28 -1.93 0.00 0.00 178.83 178.46 1x51 n LEU 64 N -3.07 0.26 0.18 -2.39 4.32 -1.03 0.81 117.00 116.08 1x51 n LEU 64 Ca -0.02 1.39 -0.14 0.00 -0.02 0.00 0.00 56.01 57.22 1x51 n LEU 64 Cb 0.07 -0.68 -0.08 0.00 -1.62 0.00 0.00 43.42 41.11 1x51 n LEU 64 CO 0.05 -1.54 0.69 -0.61 -1.22 0.00 0.00 177.39 174.76 1x51 h GLN 65 N 0.00 -0.41 -0.52 3.23 5.75 -1.39 -1.57 115.11 120.19 1x51 h GLN 65 Ca 0.78 0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 59.25 1x51 h GLN 65 Cb 2.28 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 30.90 1x51 h GLN 65 CO -0.58 -0.19 0.08 0.00 -2.65 0.00 0.00 178.83 175.49 1x51 h ARG 66 N -0.55 0.86 -0.31 1.69 3.08 0.51 0.37 114.38 120.03 1x51 h ARG 66 Ca -0.04 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 59.83 1x51 h ARG 66 Cb 0.41 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 1x51 h ARG 66 CO 0.07 0.85 -0.04 0.87 -1.07 0.00 0.00 179.97 180.65 1x51 h LYS 67 N 0.75 0.04 0.00 0.04 1.57 -0.59 -1.73 116.57 116.66 1x51 h LYS 67 Ca 0.16 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.68 1x51 h LYS 67 Cb 0.41 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1x51 h LYS 67 CO 0.01 0.03 -1.01 0.00 -0.57 0.00 0.00 179.45 177.91 1x51 h ALA 68 N 1.30 0.23 -0.05 3.86 0.00 -1.19 -3.12 119.26 120.29 1x51 h ALA 68 Ca 0.15 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1x51 h ALA 68 Cb 0.22 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1x51 h ALA 68 CO -0.29 0.74 -0.53 1.25 0.00 0.00 0.00 179.25 180.42 1x51 h LEU 69 N 0.32 -1.64 0.16 0.00 5.85 0.15 -2.54 115.31 117.60 1x51 h LEU 69 Ca -0.11 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1x51 h LEU 69 Cb 1.65 0.63 -0.03 0.00 0.37 0.00 0.00 40.66 43.28 1x51 h LEU 69 CO 0.19 -0.50 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.46 1x51 h LEU 70 N -0.63 -0.73 -0.79 2.25 3.38 -1.45 -2.10 115.31 115.24 1x51 h LEU 70 Ca 0.02 0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.37 1x51 h LEU 70 Cb 0.69 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.57 1x51 h LEU 70 CO -0.38 -0.36 0.32 0.00 0.09 0.00 0.00 178.44 178.12 1x51 n GLN 71 N -5.38 -0.05 0.10 1.13 1.13 -1.01 0.36 117.38 113.66 1x51 n GLN 71 Ca -0.07 1.12 -0.11 0.00 -1.94 0.00 0.00 57.00 56.00 1x51 n GLN 71 Cb 0.29 -1.94 -0.07 0.00 0.11 0.00 0.00 30.24 28.63 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 -0.30 -0.84 -1.09 4.57 -0.99 -3.17 114.58 112.75 1x51 h GLU 72 Ca 0.62 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 59.03 1x51 h GLU 72 Cb 1.58 0.07 -0.15 0.00 -0.16 0.00 0.00 28.75 30.09 1x51 h GLU 72 CO -0.64 0.06 0.04 -0.07 -1.18 0.00 0.00 179.01 177.22 1x51 h LEU 73 N -0.91 -0.33 -0.67 1.64 3.38 0.24 0.34 115.31 119.00 1x51 h LEU 73 Ca -0.03 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1x51 h LEU 73 Cb 0.50 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1x51 h LEU 73 CO 0.05 -0.22 0.31 1.56 0.09 0.00 0.00 178.44 180.23 1x51 h GLN 74 N 0.10 0.51 -0.66 1.13 4.20 -1.18 0.82 115.11 120.02 1x51 h GLN 74 Ca 0.48 -0.03 0.19 0.00 0.06 0.00 0.00 58.65 59.35 1x51 h GLN 74 Cb 0.91 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1x51 h GLN 74 CO -0.74 0.34 0.47 0.00 -0.67 0.00 0.00 178.83 178.24 1x51 h ARG 75 N 0.53 0.01 0.00 1.46 3.08 -0.29 -1.36 114.38 117.80 1x51 h ARG 75 Ca 0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1x51 h ARG 75 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1x51 h ARG 75 CO -0.28 0.01 -0.02 -1.49 -1.07 0.00 0.00 179.97 177.12 1x51 h TRP 76 N 0.01 0.00 0.00 3.04 4.06 -0.76 -3.46 115.95 118.85 1x51 h TRP 76 Ca 0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1x51 h TRP 76 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1x51 h TRP 76 CO -0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1x51 n ALA 77 N -2.28 -0.00 0.00 1.49 0.00 -0.12 -4.20 120.51 115.41 1x51 n ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x51 n ALA 77 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1x51 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x51 n GLY 78 N 2.09 -0.62 3.63 0.00 0.00 -0.52 -4.67 105.19 105.11 1x51 n GLY 78 Ca 0.00 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 3.81 -0.06 1.61 0.04 -1.26 -4.03 135.00 135.11 1x51 s PRO 79 Ca 0.00 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1x51 s PRO 79 Cb 0.00 -4.03 -0.00 0.00 0.04 0.00 0.00 34.50 30.51 1x51 s PRO 79 CO 0.00 -1.28 -0.18 -0.51 0.04 0.00 0.00 177.00 175.07 1x51 s LEU 80 N 5.15 1.91 1.23 -3.56 2.01 -1.26 -4.96 118.68 119.20 1x51 s LEU 80 Ca 0.71 -0.39 -0.20 0.00 0.01 0.00 0.00 54.13 54.26 1x51 s LEU 80 Cb -0.25 -1.05 0.30 0.00 0.01 0.00 0.00 46.19 45.20 1x51 s LEU 80 CO 0.29 0.14 1.11 -2.16 1.01 0.00 0.00 176.35 176.74 1x51 s PRO 81 N 0.18 -1.46 0.05 1.29 0.04 -1.26 -5.06 135.00 128.79 1x51 s PRO 81 Ca -0.08 -0.15 -0.01 0.00 0.04 0.00 0.00 61.00 60.80 1x51 s PRO 81 Cb -0.14 -1.58 -0.00 0.00 0.04 0.00 0.00 34.50 32.83 1x51 s PRO 81 CO 0.04 -3.85 -0.01 0.00 0.04 0.00 0.00 177.00 173.21 1x51 n ALA 82 N -4.84 2.85 -0.02 8.56 0.00 -1.26 -4.77 120.51 121.02 1x51 n ALA 82 Ca 0.14 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1x51 n ALA 82 Cb 0.60 0.14 -0.04 0.00 0.00 0.00 0.00 19.45 20.15 1x51 n ALA 82 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x51 h THR 83 N -0.04 0.84 -0.73 0.00 1.35 -2.04 -2.83 112.91 109.46 1x51 h THR 83 Ca 0.00 -0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 1x51 h THR 83 Cb 0.04 0.84 -0.12 0.00 -1.73 0.00 0.00 68.15 67.18 1x51 h THR 83 CO 0.00 0.00 -0.29 1.41 -0.25 0.00 0.00 175.52 176.39 1x51 n HIS 84 N -5.17 0.00 -1.44 4.73 -0.00 -1.26 -4.47 115.22 107.62 1x51 n HIS 84 Ca -0.03 0.91 -0.46 0.00 -0.00 0.00 0.00 57.72 58.13 1x51 n HIS 84 Cb 0.10 -0.76 -0.02 0.00 -0.00 0.00 0.00 29.99 29.31 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 -5.07 -0.63 -3.64 2.41 7.94 -1.07 -4.89 117.00 112.05 1x51 n LEU 85 Ca 0.07 1.10 -0.08 0.00 -1.11 0.00 0.00 56.01 55.99 1x51 n LEU 85 Cb 0.29 -1.03 -0.07 0.00 0.53 0.00 0.00 43.42 43.14 1x51 n LEU 85 CO -0.10 -2.73 0.39 0.00 -1.11 0.00 0.00 177.39 173.83 1x51 s ARG 86 N -1.16 0.71 -0.03 1.96 1.70 -1.22 -5.04 118.95 115.87 1x51 s ARG 86 Ca 0.62 1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 56.74 1x51 s ARG 86 Cb -0.83 0.18 -0.06 0.00 -0.57 0.00 0.00 34.95 33.67 1x51 s ARG 86 CO 0.58 -0.14 1.54 -1.58 -1.08 0.00 0.00 175.30 174.62 1x51 s HIS 87 N 1.40 2.40 -0.40 5.89 5.65 -1.26 -2.89 115.29 126.08 1x51 s HIS 87 Ca -0.08 0.48 0.02 0.00 0.25 0.00 0.00 55.06 55.72 1x51 s HIS 87 Cb -0.05 -3.81 0.12 0.00 -1.18 0.00 0.00 32.58 27.66 1x51 s HIS 87 CO -0.16 -3.23 0.18 -0.51 -0.65 0.00 0.00 174.74 170.37 1x51 s LEU 88 N 3.26 2.86 0.00 8.88 1.43 -0.91 -4.99 118.68 129.21 1x51 s LEU 88 Ca 0.69 -2.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.47 1x51 s LEU 88 Cb -0.33 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1x51 s LEU 88 CO 0.28 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.15 1x51 n GLY 89 N 3.96 -1.87 3.38 -3.19 0.00 -1.26 -4.55 105.19 101.65 1x51 n GLY 89 Ca 0.05 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.54 1.43 -0.13 1.61 1.03 -1.26 -3.17 118.70 116.66 1x51 s GLU 90 Ca 0.00 -1.52 -0.04 0.00 0.03 0.00 0.00 54.97 53.44 1x51 s GLU 90 Cb 0.00 0.36 0.06 0.00 -0.80 0.00 0.00 34.13 33.76 1x51 s GLU 90 CO 0.00 -0.54 0.16 0.08 -1.33 0.00 0.00 175.26 173.64 1x51 s VAL 91 N -3.97 -0.25 -0.21 1.83 1.01 -1.02 -4.85 120.40 112.95 1x51 s VAL 91 Ca 0.32 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1x51 s VAL 91 Cb 0.03 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 36.02 1x51 s VAL 91 CO 0.12 -0.01 -0.08 -0.69 0.00 0.00 0.00 175.10 174.44 1x51 s VAL 92 N 2.28 1.53 -0.38 2.92 1.01 -1.26 -0.72 120.40 125.77 1x51 s VAL 92 Ca 0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1x51 s VAL 92 Cb -0.14 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1x51 s VAL 92 CO -0.08 0.08 0.30 -2.28 0.00 0.00 0.00 175.10 173.11 1x51 s HIS 93 N 1.43 3.23 -0.68 5.22 2.46 -1.05 -4.97 115.29 120.93 1x51 s HIS 93 Ca -0.02 -0.41 -0.27 0.00 0.47 0.00 0.00 55.06 54.83 1x51 s HIS 93 Cb -0.17 -2.58 0.04 0.00 -0.13 0.00 0.00 32.58 29.73 1x51 s HIS 93 CO -0.07 -0.51 1.20 0.99 -2.47 0.00 0.00 174.74 173.87 1x51 s THR 94 N 1.75 3.91 1.16 0.89 2.01 -1.26 -2.64 115.64 121.46 1x51 s THR 94 Ca 0.06 0.43 -0.19 0.00 0.31 0.00 0.00 61.69 62.30 1x51 s THR 94 Cb -0.18 -4.82 0.28 0.00 0.01 0.00 0.00 72.50 67.79 1x51 s THR 94 CO 0.11 -1.63 1.11 0.49 -0.69 0.00 0.00 174.62 174.01 1x51 n PHE 95 N 8.82 -3.90 0.13 4.92 3.72 0.18 -4.96 117.46 126.36 1x51 n PHE 95 Ca 0.03 -1.00 -0.13 0.00 -0.05 0.00 0.00 57.45 56.30 1x51 n PHE 95 Cb 0.48 -1.09 -0.07 0.00 -0.94 0.00 0.00 39.48 37.86 1x51 n PHE 95 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1x51 h SER 96 N -2.50 -0.30 0.00 4.37 0.02 -2.05 -3.32 113.55 109.77 1x51 h SER 96 Ca -0.41 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1x51 h SER 96 Cb 1.22 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.76 1x51 h SER 96 CO 0.27 -0.19 -0.49 0.00 -1.14 0.00 0.00 176.83 175.28 1x51 n HIS 97 N -5.24 0.00 -3.94 3.45 -0.00 -1.26 -5.06 115.22 103.17 1x51 n HIS 97 Ca -0.08 -0.69 -0.09 0.00 -0.00 0.00 0.00 57.72 56.86 1x51 n HIS 97 Cb 0.16 -0.14 -0.09 0.00 -0.00 0.00 0.00 29.99 29.91 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 -1.43 0.14 -0.16 0.61 1.01 -1.25 -4.54 121.20 115.58 1x51 s ILE 98 Ca 0.24 -1.14 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1x51 s ILE 98 Cb 0.24 -0.93 0.04 0.00 0.01 0.00 0.00 42.46 41.83 1x51 s ILE 98 CO -0.05 -0.63 -0.04 -0.75 0.00 0.00 0.00 174.94 173.48 1x51 s LYS 99 N -2.70 1.30 -0.14 2.79 2.20 -0.80 0.50 119.74 122.89 1x51 s LYS 99 Ca -0.04 -0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 55.04 1x51 s LYS 99 Cb -0.01 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.33 1x51 s LYS 99 CO -0.05 -0.44 0.09 -0.51 -0.36 0.00 0.00 175.35 174.07 1x51 s LEU 100 N 1.68 4.03 -0.37 5.43 2.01 -1.08 -3.45 118.68 126.93 1x51 s LEU 100 Ca 0.01 0.25 0.03 0.00 0.01 0.00 0.00 54.13 54.43 1x51 s LEU 100 Cb -0.15 -1.99 0.11 0.00 0.01 0.00 0.00 46.19 44.16 1x51 s LEU 100 CO -0.07 0.30 0.10 -0.89 1.01 0.00 0.00 176.35 176.80 1x51 s THR 101 N -0.39 2.01 0.18 5.49 2.01 -0.84 -2.52 115.64 121.58 1x51 s THR 101 Ca 0.10 -2.34 -0.02 0.00 0.31 0.00 0.00 61.69 59.74 1x51 s THR 101 Cb -0.12 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1x51 s THR 101 CO 0.02 -0.66 0.39 -0.31 -0.69 0.00 0.00 174.62 173.36 1x51 s TYR 102 N 0.82 3.48 -0.26 4.92 1.51 0.10 -1.63 117.35 126.29 1x51 s TYR 102 Ca 0.12 0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 56.60 1x51 s TYR 102 Cb -0.20 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1x51 s TYR 102 CO -0.09 0.39 -0.05 -0.65 -1.11 0.00 0.00 175.55 174.03 1x51 s GLN 103 N -3.06 2.76 -0.05 -0.62 -1.52 -0.67 -2.43 119.66 114.07 1x51 s GLN 103 Ca 0.40 -1.03 -0.30 0.00 -1.95 0.00 0.00 55.36 52.48 1x51 s GLN 103 Cb -0.11 -3.01 -0.04 0.00 -0.22 0.00 0.00 33.01 29.63 1x51 s GLN 103 CO 0.27 -0.43 1.25 0.08 -0.25 0.00 0.00 175.29 176.21 1x51 s VAL 104 N 1.31 4.14 -0.02 1.09 1.01 -1.19 -2.05 120.40 124.69 1x51 s VAL 104 Ca -0.01 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.46 1x51 s VAL 104 Cb -0.17 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1x51 s VAL 104 CO -0.04 -0.01 -0.07 -0.31 0.00 0.00 0.00 175.10 174.67 1x51 s TYR 105 N 2.37 0.74 -0.17 5.22 2.02 -0.86 -2.13 117.35 124.52 1x51 s TYR 105 Ca 0.58 -0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 57.09 1x51 s TYR 105 Cb -0.26 -0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 1x51 s TYR 105 CO 0.22 -0.07 -0.08 0.20 -1.57 0.00 0.00 175.55 174.25 1x51 s GLY 106 N 0.16 1.60 -0.26 0.71 0.00 -1.14 0.27 107.32 108.65 1x51 s GLY 106 Ca -0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 1x51 s GLY 106 CO 0.00 0.11 0.09 -2.27 0.00 0.00 0.00 173.10 171.02 1x51 s LEU 107 N 0.85 1.44 -0.11 0.66 1.98 0.20 -3.43 118.68 120.28 1x51 s LEU 107 Ca -0.02 -1.27 0.03 0.00 -2.89 0.00 0.00 54.13 49.98 1x51 s LEU 107 Cb -0.15 -0.64 0.00 0.00 0.66 0.00 0.00 46.19 46.06 1x51 s LEU 107 CO 0.01 -0.39 -0.23 0.00 -1.89 0.00 0.00 176.35 173.85 1x51 s ALA 108 N 1.82 2.21 -0.64 5.97 0.00 -1.26 -1.17 121.76 128.70 1x51 s ALA 108 Ca 0.06 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.76 1x51 s ALA 108 Cb -0.17 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.09 1x51 s ALA 108 CO -0.22 0.23 1.53 -0.51 0.00 0.00 0.00 175.76 176.79 1x51 s LEU 109 N 0.43 3.28 0.08 0.00 1.43 0.22 -4.86 118.68 119.26 1x51 s LEU 109 Ca -0.16 0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 52.82 1x51 s LEU 109 Cb -0.17 -2.70 -0.11 0.00 0.03 0.00 0.00 46.19 43.24 1x51 s LEU 109 CO 0.07 -1.99 1.40 -0.08 0.23 0.00 0.00 176.35 175.98 1x51 h GLU 110 N 12.10 0.55 0.00 1.70 4.57 -1.98 -3.36 114.58 128.17 1x51 h GLU 110 Ca -0.27 -0.28 -0.19 0.00 -1.18 0.00 0.00 59.36 57.44 1x51 h GLU 110 Cb 1.10 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.56 1x51 h GLU 110 CO 1.23 0.86 -0.28 0.41 -1.18 0.00 0.00 179.01 180.05 1x51 n GLY 111 N 0.13 1.30 2.64 1.92 0.00 -1.26 -4.94 105.19 104.97 1x51 n GLY 111 Ca -0.05 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.82 0.84 -2.22 1.61 1.13 -1.26 -5.09 117.38 111.57 1x51 n GLN 112 Ca -0.09 -2.26 -0.39 0.00 -1.94 0.00 0.00 57.00 52.33 1x51 n GLN 112 Cb 0.83 0.06 -0.02 0.00 0.11 0.00 0.00 30.24 31.23 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 -1.69 2.99 0.98 5.09 -4.23 -1.26 -5.02 115.64 112.51 1x51 s THR 113 Ca 0.31 0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 61.55 1x51 s THR 113 Cb -0.02 -3.49 0.18 0.00 1.34 0.00 0.00 72.50 70.51 1x51 s THR 113 CO 0.19 0.10 1.09 -2.16 -0.54 0.00 0.00 174.62 173.31 1x51 s PRO 114 N -2.25 0.56 -0.11 3.99 0.04 -1.26 -4.91 135.00 131.06 1x51 s PRO 114 Ca 0.57 0.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1x51 s PRO 114 Cb -0.33 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1x51 s PRO 114 CO 0.42 -2.66 -0.16 1.55 0.04 0.00 0.00 177.00 176.19 1x51 n VAL 115 N -4.13 0.79 -3.05 -0.36 3.14 -1.26 -4.81 118.33 108.64 1x51 n VAL 115 Ca 0.05 -0.11 -0.21 0.00 -2.96 0.00 0.00 64.34 61.11 1x51 n VAL 115 Cb 0.57 -1.71 -0.04 0.00 -1.06 0.00 0.00 33.84 31.60 1x51 n VAL 115 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1x51 n THR 116 N -3.62 0.00 -3.69 1.55 5.66 -1.26 -4.82 114.28 108.10 1x51 n THR 116 Ca -0.22 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.67 1x51 n THR 116 Cb 0.62 -0.25 -0.11 0.00 -1.55 0.00 0.00 70.33 69.04 1x51 n THR 116 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1x51 s THR 117 N -2.16 -0.18 -0.17 1.09 2.01 -1.26 -5.16 115.64 109.82 1x51 s THR 117 Ca 0.42 0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.42 1x51 s THR 117 Cb -0.24 -0.62 0.05 0.00 0.01 0.00 0.00 72.50 71.70 1x51 s THR 117 CO 0.51 0.05 0.42 0.54 -0.69 0.00 0.00 174.62 175.45 1x51 s VAL 118 N 1.72 -0.01 1.01 3.82 0.11 -1.26 -4.33 120.40 121.46 1x51 s VAL 118 Ca -0.07 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 58.90 1x51 s VAL 118 Cb -0.09 -0.61 0.19 0.00 -1.53 0.00 0.00 36.38 34.34 1x51 s VAL 118 CO -0.13 0.02 1.09 -2.16 -3.33 0.00 0.00 175.10 170.60 1x51 s PRO 119 N 0.91 0.34 0.00 1.54 0.04 -1.26 -4.89 135.00 131.68 1x51 s PRO 119 Ca -0.06 0.50 0.11 0.00 0.04 0.00 0.00 61.00 61.59 1x51 s PRO 119 Cb -0.06 -1.73 0.63 0.00 0.04 0.00 0.00 34.50 33.38 1x51 s PRO 119 CO -0.07 -2.79 1.07 -0.35 0.04 0.00 0.00 177.00 174.89 1x51 n PRO 120 N -4.21 0.49 -0.17 0.56 -0.04 -1.26 -2.13 135.00 128.24 1x51 n PRO 120 Ca 0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.57 1x51 n PRO 120 Cb 0.57 -1.34 0.15 0.00 -0.04 0.00 0.00 33.50 32.84 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 2.55 3.24 0.55 0.00 -1.26 -5.01 105.19 105.24 1x51 n GLY 121 Ca 0.08 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.00 1.46 -0.14 4.61 0.00 -0.90 -2.94 121.76 122.86 1x51 s ALA 122 Ca 0.23 -1.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.22 1x51 s ALA 122 Cb 0.12 1.37 0.04 0.00 0.00 0.00 0.00 23.12 24.65 1x51 s ALA 122 CO 0.16 -0.59 0.43 -0.98 0.00 0.00 0.00 175.76 174.77 1x51 s ARG 123 N -3.94 0.54 -0.32 0.00 1.70 0.19 -4.79 118.95 112.34 1x51 s ARG 123 Ca 0.39 0.49 -0.07 0.00 -0.47 0.00 0.00 55.73 56.08 1x51 s ARG 123 Cb 0.06 0.26 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1x51 s ARG 123 CO 0.17 -0.08 0.10 -1.58 -1.08 0.00 0.00 175.30 172.82 1x51 s TRP 124 N -0.00 3.20 0.29 5.89 0.52 -1.26 -0.03 118.94 127.55 1x51 s TRP 124 Ca -0.02 -1.18 0.04 0.00 0.02 0.00 0.00 56.10 54.96 1x51 s TRP 124 Cb -0.03 -2.28 -0.06 0.00 -1.15 0.00 0.00 33.47 29.95 1x51 s TRP 124 CO 0.01 -0.65 0.02 -0.48 0.02 0.00 0.00 176.95 175.88 1x51 s LEU 125 N 1.46 2.22 0.63 2.99 0.05 -1.03 -4.99 118.68 120.00 1x51 s LEU 125 Ca 0.01 -1.31 -0.11 0.00 0.05 0.00 0.00 54.13 52.77 1x51 s LEU 125 Cb -0.18 -0.39 -0.04 0.00 -2.05 0.00 0.00 46.19 43.53 1x51 s LEU 125 CO 0.03 -0.54 1.03 0.42 -0.55 0.00 0.00 176.35 176.74 1x51 s THR 126 N -3.28 4.64 0.25 5.48 -4.23 -1.26 -0.95 115.64 116.29 1x51 s THR 126 Ca 0.34 0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 61.67 1x51 s THR 126 Cb 0.07 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.30 1x51 s THR 126 CO 0.13 -1.12 1.71 1.56 -0.54 0.00 0.00 174.62 176.36 1x51 h GLN 127 N -0.34 0.36 -0.16 3.99 4.20 -1.93 -0.91 115.11 120.32 1x51 h GLN 127 Ca -0.44 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 1x51 h GLN 127 Cb 1.19 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1x51 h GLN 127 CO 0.62 0.24 0.09 0.93 -0.67 0.00 0.00 178.83 180.04 1x51 h GLU 128 N 0.37 0.23 -0.69 1.46 5.08 -1.92 -2.82 114.58 116.28 1x51 h GLU 128 Ca 0.43 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.88 1x51 h GLU 128 Cb 0.70 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 1x51 h GLU 128 CO -0.46 0.23 0.28 0.93 -1.00 0.00 0.00 179.01 178.99 1x51 h GLU 129 N 0.16 0.44 0.15 2.33 4.39 -1.57 -2.56 114.58 117.93 1x51 h GLU 129 Ca 0.06 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1x51 h GLU 129 Cb 0.07 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 1x51 h GLU 129 CO -0.01 0.29 -0.53 0.35 -1.16 0.00 0.00 179.01 177.95 1x51 h PHE 130 N 0.45 -1.53 -0.68 4.33 3.57 -1.07 0.21 116.94 122.22 1x51 h PHE 130 Ca 0.36 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.96 1x51 h PHE 130 Cb 0.49 0.65 -0.08 0.00 2.79 0.00 0.00 35.95 39.79 1x51 h PHE 130 CO -0.16 -0.61 -0.40 0.72 -2.23 0.00 0.00 178.31 175.63 1x51 n HIS 131 N -5.49 -0.30 0.23 0.41 8.25 -0.97 0.23 115.22 117.58 1x51 n HIS 131 Ca -0.09 0.85 0.09 0.00 -0.26 0.00 0.00 57.72 58.31 1x51 n HIS 131 Cb 0.42 -0.54 0.55 0.00 1.12 0.00 0.00 29.99 31.54 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 0.81 -2.61 1.59 1.35 -1.48 -3.44 112.91 109.13 1x51 h THR 132 Ca 0.11 -0.88 -0.52 0.00 -0.55 0.00 0.00 66.41 64.57 1x51 h THR 132 Cb 0.28 1.53 0.06 0.00 -1.73 0.00 0.00 68.15 68.28 1x51 h THR 132 CO -0.64 0.22 1.04 0.00 -0.25 0.00 0.00 175.52 175.88 1x51 n ALA 133 N -2.34 2.69 -1.54 6.62 0.00 0.63 -4.83 120.51 121.74 1x51 n ALA 133 Ca -0.02 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 1x51 n ALA 133 Cb 0.33 -2.54 -0.05 0.00 0.00 0.00 0.00 19.45 17.18 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 4.38 0.90 -2.75 0.00 0.00 -1.26 -4.92 120.51 116.86 1x51 n ALA 134 Ca 0.17 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.79 1x51 n ALA 134 Cb 0.35 -2.96 -0.12 0.00 0.00 0.00 0.00 19.45 16.73 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 10.65 0.94 0.32 0.00 1.01 -1.26 -2.55 120.40 129.51 1x51 s VAL 135 Ca 1.05 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 1x51 s VAL 135 Cb -0.43 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 34.90 1x51 s VAL 135 CO 0.33 -0.27 1.41 -0.55 0.00 0.00 0.00 175.10 176.02 1x51 s SER 136 N -1.70 6.60 0.05 3.32 0.15 -1.26 -4.76 113.70 116.11 1x51 s SER 136 Ca -0.04 2.80 -0.10 0.00 0.70 0.00 0.00 55.95 59.31 1x51 s SER 136 Cb -0.10 -2.65 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1x51 s SER 136 CO 0.02 -0.69 0.99 0.41 1.20 0.00 0.00 173.24 175.16 1x51 n THR 137 N 1.18 -0.22 -0.25 6.45 -1.04 -1.26 -1.00 114.28 118.14 1x51 n THR 137 Ca 0.02 1.52 -0.07 0.00 -2.04 0.00 0.00 64.05 63.49 1x51 n THR 137 Cb 0.40 -1.95 -0.06 0.00 -1.82 0.00 0.00 70.33 66.91 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 -3.04 -0.38 -0.26 2.41 0.00 -1.26 -0.22 120.51 117.77 1x51 n ALA 138 Ca 0.01 0.50 0.04 0.00 0.00 0.00 0.00 53.44 53.99 1x51 n ALA 138 Cb 0.08 0.11 0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 0.07 -0.44 0.00 2.07 -1.50 0.63 114.93 115.76 1x51 h MET 139 Ca 0.09 -0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.76 1x51 h MET 139 Cb 0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 1x51 h MET 139 CO -0.56 0.05 0.30 0.87 1.07 0.00 0.00 176.91 178.64 1x51 h LYS 140 N 0.07 0.44 -0.23 1.72 1.57 0.12 -1.44 116.57 118.82 1x51 h LYS 140 Ca 0.40 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 59.00 1x51 h LYS 140 Cb 0.68 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1x51 h LYS 140 CO -0.69 0.29 -0.47 0.87 -0.57 0.00 0.00 179.45 178.89 1x51 h LYS 141 N 0.45 0.61 -0.08 3.15 1.57 0.25 -2.92 116.57 119.61 1x51 h LYS 141 Ca 0.18 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1x51 h LYS 141 Cb 0.17 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1x51 h LYS 141 CO -0.05 0.95 0.07 0.28 -0.57 0.00 0.00 179.45 180.13 1x51 h VAL 142 N 0.49 0.79 0.14 0.50 2.07 -0.10 -2.20 116.25 117.93 1x51 h VAL 142 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1x51 h VAL 142 Cb 1.00 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1x51 h VAL 142 CO 0.09 0.00 -0.06 0.15 0.02 0.00 0.00 177.57 177.77 1x51 h PHE 143 N 0.00 -0.17 -1.08 1.57 3.57 -1.41 -2.15 116.94 117.27 1x51 h PHE 143 Ca 0.04 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.84 1x51 h PHE 143 Cb 0.17 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1x51 h PHE 143 CO 0.00 -0.10 0.77 0.07 -2.23 0.00 0.00 178.31 176.81 1x51 h ARG 144 N -0.26 0.04 0.00 1.11 0.11 -1.59 0.86 114.38 114.66 1x51 h ARG 144 Ca -0.02 -0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.94 1x51 h ARG 144 Cb 0.14 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 1x51 h ARG 144 CO 0.03 0.03 -0.57 0.28 0.10 0.00 0.00 179.97 179.84 1x51 h VAL 145 N 0.05 1.34 0.17 0.08 2.07 -1.38 -3.19 116.25 115.38 1x51 h VAL 145 Ca 0.52 -1.99 -0.32 0.00 0.82 0.00 0.00 66.70 65.73 1x51 h VAL 145 Cb 2.01 2.10 0.01 0.00 -1.52 0.00 0.00 31.29 33.88 1x51 h VAL 145 CO -0.04 0.56 -1.51 0.22 0.02 0.00 0.00 177.57 176.82 1x51 h TYR 146 N 0.00 0.65 -0.98 1.57 3.20 0.14 -3.32 116.97 118.22 1x51 h TYR 146 Ca -0.01 -0.47 0.24 0.00 3.14 0.00 0.00 58.73 61.63 1x51 h TYR 146 Cb 1.05 -0.03 -0.12 0.00 1.54 0.00 0.00 36.73 39.17 1x51 h TYR 146 CO 0.00 1.47 0.56 1.96 -1.64 0.00 0.00 178.16 180.51 1x51 h GLN 147 N 0.10 0.54 -0.23 1.82 4.20 -1.09 -2.75 115.11 117.71 1x51 h GLN 147 Ca -0.25 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.45 1x51 h GLN 147 Cb 2.06 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.70 1x51 h GLN 147 CO 0.20 0.36 -0.13 0.41 -0.67 0.00 0.00 178.83 179.00 1x51 n GLY 148 N -1.32 -2.11 3.44 3.46 0.00 -1.24 -2.33 105.19 105.10 1x51 n GLY 148 Ca 0.26 0.56 -0.44 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.75 4.05 -0.02 1.61 -1.52 -1.04 -4.67 119.66 114.32 1x51 s GLN 149 Ca -0.03 -2.60 0.20 0.00 -1.95 0.00 0.00 55.36 50.98 1x51 s GLN 149 Cb 0.02 -4.96 -0.28 0.00 -0.22 0.00 0.00 33.01 27.58 1x51 s GLN 149 CO 0.14 -1.67 0.57 -1.13 -0.25 0.00 0.00 175.29 172.95 1x51 n SER 150 N 5.23 0.59 -4.85 5.90 3.41 -0.98 -4.96 113.62 117.96 1x51 n SER 150 Ca 0.33 -0.33 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1x51 n SER 150 Cb 0.43 1.60 -0.06 0.00 -0.26 0.00 0.00 64.21 65.92 1x51 n SER 150 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x51 s GLY 151 N -3.79 2.40 0.00 5.00 0.00 -1.26 -4.96 107.32 104.70 1x51 s GLY 151 Ca -0.02 -0.30 0.15 0.00 0.00 0.00 0.00 44.72 44.55 1x51 s GLY 151 CO 0.82 -0.02 1.40 -1.55 0.00 0.00 0.00 173.10 173.76 1x51 n PRO 152 N 1.23 0.23 -1.51 2.90 -0.04 -1.26 -4.86 135.00 131.69 1x51 n PRO 152 Ca -0.10 0.13 -0.57 0.00 -0.04 0.00 0.00 63.50 62.93 1x51 n PRO 152 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.26 0.19 -3.53 3.54 2.88 -1.26 -4.96 113.62 109.22 1x51 n SER 153 Ca 0.07 1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 58.65 1x51 n SER 153 Cb 0.11 -0.97 -0.11 0.00 -0.75 0.00 0.00 64.21 62.50 1x51 n SER 153 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x51 s SER 154 N -0.01 0.37 0.00 -3.46 1.04 -1.26 -5.14 113.70 105.24 1x51 s SER 154 Ca 0.87 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.71 1x51 s SER 154 Cb -1.18 0.92 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1x51 s SER 154 CO 0.55 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.11