#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 0.79 -0.90 1.61 0.01 -1.26 -5.09 113.70 108.86 1x51 s SER 2 Ca 0.00 -0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.11 1x51 s SER 2 Cb 0.00 -0.24 0.22 0.00 0.21 0.00 0.00 66.02 66.21 1x51 s SER 2 CO 0.00 -0.15 0.88 -0.94 0.41 0.00 0.00 173.24 173.44 1x51 s SER 3 N 1.46 6.86 0.00 2.44 1.04 -1.26 -4.67 113.70 119.57 1x51 s SER 3 Ca -0.04 -2.81 0.00 0.00 0.48 0.00 0.00 55.95 53.59 1x51 s SER 3 Cb -0.13 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1x51 s SER 3 CO -0.03 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1x51 n GLY 4 N 3.88 -0.71 3.54 7.32 0.00 -1.26 -5.08 105.19 112.88 1x51 n GLY 4 Ca 0.17 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 1x51 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x51 s SER 5 N 0.00 6.71 0.01 1.61 0.15 -1.26 -4.94 113.70 115.98 1x51 s SER 5 Ca 0.00 -2.07 0.01 0.00 0.70 0.00 0.00 55.95 54.59 1x51 s SER 5 Cb 0.00 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1x51 s SER 5 CO 0.00 -1.24 -0.05 -0.94 1.20 0.00 0.00 173.24 172.21 1x51 s SER 6 N 4.29 0.51 -0.09 5.45 1.04 -1.26 -5.13 113.70 118.52 1x51 s SER 6 Ca 0.47 -0.26 -0.31 0.00 0.48 0.00 0.00 55.95 56.33 1x51 s SER 6 Cb 0.01 -0.00 0.12 0.00 0.10 0.00 0.00 66.02 66.24 1x51 s SER 6 CO -0.02 -0.07 1.01 -0.83 0.98 0.00 0.00 173.24 174.31 1x51 s GLY 7 N -0.69 -0.37 -0.00 7.32 0.00 -1.26 -5.05 107.32 107.27 1x51 s GLY 7 Ca -0.04 1.38 -0.24 0.00 0.00 0.00 0.00 44.72 45.82 1x51 s GLY 7 CO -0.00 0.52 1.30 -0.56 0.00 0.00 0.00 173.10 174.35 1x51 h PRO 8 N 2.09 0.11 -2.74 2.90 0.13 -1.94 -3.42 132.00 129.13 1x51 h PRO 8 Ca -0.17 -0.06 0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1x51 h PRO 8 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1x51 h PRO 8 CO 0.28 0.56 0.35 -0.98 -0.23 0.00 0.00 178.00 177.99 1x51 s ARG 9 N -4.29 1.63 -0.85 0.86 1.70 -1.26 -4.83 118.95 111.91 1x51 s ARG 9 Ca -0.15 -0.95 -0.25 0.00 -0.47 0.00 0.00 55.73 53.91 1x51 s ARG 9 Cb 0.03 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.83 1x51 s ARG 9 CO 0.70 -0.75 2.21 0.21 -1.08 0.00 0.00 175.30 176.59 1x51 s LYS 10 N -3.28 1.98 0.09 3.89 2.47 -1.26 -4.83 119.74 118.81 1x51 s LYS 10 Ca 0.13 0.12 -0.25 0.00 -1.56 0.00 0.00 55.97 54.41 1x51 s LYS 10 Cb -0.04 -4.91 0.08 0.00 -1.46 0.00 0.00 37.83 31.50 1x51 s LYS 10 CO 0.06 -4.05 0.73 0.00 0.16 0.00 0.00 175.35 172.25 1x51 s ALA 11 N 12.93 -1.69 -0.07 3.13 0.00 -1.26 -5.12 121.76 129.68 1x51 s ALA 11 Ca 0.83 0.70 -0.33 0.00 0.00 0.00 0.00 51.96 53.15 1x51 s ALA 11 Cb -0.10 0.68 -0.16 0.00 0.00 0.00 0.00 23.12 23.54 1x51 s ALA 11 CO 0.05 -0.74 0.94 0.45 0.00 0.00 0.00 175.76 176.46 1x51 n SER 12 N -0.32 0.16 -4.19 0.00 2.88 -1.26 -4.45 113.62 106.43 1x51 n SER 12 Ca -0.13 0.95 -0.45 0.00 -1.33 0.00 0.00 58.87 57.91 1x51 n SER 12 Cb 0.63 -0.74 -0.13 0.00 -0.75 0.00 0.00 64.21 63.22 1x51 n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x51 n ARG 13 N 1.56 0.00 -4.13 -1.46 1.74 -1.26 -4.88 116.66 108.23 1x51 n ARG 13 Ca 0.18 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.11 1x51 n ARG 13 Cb 0.05 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 1x51 n ARG 13 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x51 s LYS 14 N 7.60 0.70 0.56 5.56 -0.14 -1.26 -5.15 119.74 127.62 1x51 s LYS 14 Ca 1.24 -0.93 -0.19 0.00 -1.36 0.00 0.00 55.97 54.74 1x51 s LYS 14 Cb -1.27 -0.51 -0.05 0.00 -1.68 0.00 0.00 37.83 34.32 1x51 s LYS 14 CO 0.52 0.10 1.13 -1.25 -0.76 0.00 0.00 175.35 175.08 1x51 s PRO 15 N -1.97 3.26 0.13 -1.68 0.04 -1.26 -4.73 135.00 128.79 1x51 s PRO 15 Ca -0.03 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 1x51 s PRO 15 Cb -0.08 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1x51 s PRO 15 CO 0.01 -0.91 1.46 -1.00 0.04 0.00 0.00 177.00 176.59 1x51 h PRO 16 N 1.00 0.86 -0.97 0.56 0.13 -1.98 -3.26 132.00 128.35 1x51 h PRO 16 Ca -0.49 -0.45 0.18 0.00 -0.87 0.00 0.00 66.00 64.36 1x51 h PRO 16 Cb 1.26 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.23 1x51 h PRO 16 CO 0.56 1.10 -0.30 0.00 -0.23 0.00 0.00 178.00 179.13 1x51 h ARG 17 N 0.66 -0.01 -5.08 0.86 3.08 -1.88 -3.24 114.38 108.78 1x51 h ARG 17 Ca 0.06 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.44 1x51 h ARG 17 Cb 0.94 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.82 1x51 h ARG 17 CO 0.09 -0.00 0.33 -1.21 -1.07 0.00 0.00 179.97 178.10 1x51 s GLU 18 N -6.13 3.08 -0.20 0.04 2.02 -1.23 -2.96 118.70 113.32 1x51 s GLU 18 Ca -0.14 -1.06 -0.04 0.00 0.02 0.00 0.00 54.97 53.75 1x51 s GLU 18 Cb 0.24 -4.24 0.10 0.00 0.10 0.00 0.00 34.13 30.33 1x51 s GLU 18 CO 0.75 -1.67 0.31 -1.21 0.02 0.00 0.00 175.26 173.46 1x51 s GLU 19 N 3.38 0.25 0.05 1.61 0.41 -1.22 -4.79 118.70 118.38 1x51 s GLU 19 Ca 0.17 0.55 0.09 0.00 -0.41 0.00 0.00 54.97 55.38 1x51 s GLU 19 Cb -0.20 -0.48 -0.03 0.00 -1.78 0.00 0.00 34.13 31.64 1x51 s GLU 19 CO 0.08 -0.51 -0.26 -1.12 -0.49 0.00 0.00 175.26 172.96 1x51 s SER 20 N 2.46 3.09 -0.01 -0.19 0.01 -1.26 -2.52 113.70 115.29 1x51 s SER 20 Ca 0.07 -0.59 -0.25 0.00 1.31 0.00 0.00 55.95 56.49 1x51 s SER 20 Cb -0.14 -0.28 0.06 0.00 0.21 0.00 0.00 66.02 65.87 1x51 s SER 20 CO -0.13 0.25 0.57 -0.44 0.41 0.00 0.00 173.24 173.90 1x51 s SER 21 N -1.25 -0.51 -0.25 2.44 0.01 -0.61 -3.18 113.70 110.34 1x51 s SER 21 Ca 0.11 0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 1x51 s SER 21 Cb -0.10 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.65 1x51 s SER 21 CO 0.02 -0.62 -0.06 0.00 0.41 0.00 0.00 173.24 172.99 1x51 s ALA 22 N -1.64 2.70 0.01 1.44 0.00 -0.67 -2.44 121.76 121.15 1x51 s ALA 22 Ca -0.10 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.38 1x51 s ALA 22 Cb -0.01 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1x51 s ALA 22 CO 0.05 -0.87 0.02 -0.08 0.00 0.00 0.00 175.76 174.87 1x51 s THR 23 N 1.31 4.24 0.16 0.00 -1.32 -0.91 -0.86 115.64 118.26 1x51 s THR 23 Ca -0.01 -0.61 0.06 0.00 -1.21 0.00 0.00 61.69 59.92 1x51 s THR 23 Cb -0.17 -2.92 -0.04 0.00 -1.51 0.00 0.00 72.50 67.86 1x51 s THR 23 CO -0.04 0.34 -0.12 0.00 -2.21 0.00 0.00 174.62 172.59 1x51 s VAL 25 N -2.93 3.95 -0.23 0.00 1.01 0.20 -4.37 120.40 118.03 1x51 s VAL 25 Ca 0.16 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1x51 s VAL 25 Cb -0.00 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1x51 s VAL 25 CO 0.03 0.22 0.14 -0.22 0.00 0.00 0.00 175.10 175.26 1x51 s LEU 26 N 1.53 4.06 0.14 3.92 2.96 -1.25 -0.36 118.68 129.68 1x51 s LEU 26 Ca 0.04 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1x51 s LEU 26 Cb -0.16 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1x51 s LEU 26 CO 0.02 0.09 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.34 1x51 s GLU 27 N 0.87 1.03 -0.02 1.98 2.12 -0.27 -1.25 118.70 123.17 1x51 s GLU 27 Ca 0.07 -1.41 -0.18 0.00 0.36 0.00 0.00 54.97 53.81 1x51 s GLU 27 Cb -0.13 -0.62 0.03 0.00 0.26 0.00 0.00 34.13 33.68 1x51 s GLU 27 CO 0.03 0.08 0.38 1.14 -0.54 0.00 0.00 175.26 176.35 1x51 s GLN 28 N -3.60 0.75 0.02 4.30 -2.07 -0.23 -2.38 119.66 116.46 1x51 s GLN 28 Ca 0.15 -0.12 -0.30 0.00 -1.82 0.00 0.00 55.36 53.27 1x51 s GLN 28 Cb 0.02 0.34 -0.06 0.00 -1.09 0.00 0.00 33.01 32.22 1x51 s GLN 28 CO 0.00 -0.22 1.43 -1.25 -1.32 0.00 0.00 175.29 173.94 1x51 s PRO 29 N -1.36 4.28 0.41 9.60 0.04 -1.26 -1.70 135.00 145.00 1x51 s PRO 29 Ca -0.13 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1x51 s PRO 29 Cb -0.04 -3.54 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 1x51 s PRO 29 CO 0.05 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1x51 n GLY 30 N 3.67 3.69 0.48 0.56 0.00 0.65 -4.90 105.19 109.33 1x51 n GLY 30 Ca 0.13 -2.34 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 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 1.21 -1.28 -0.78 4.61 0.00 -1.99 -3.09 119.26 117.93 1x51 h ALA 31 Ca -0.34 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1x51 h ALA 31 Cb 1.02 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1x51 h ALA 31 CO 0.56 -1.22 0.35 -0.07 0.00 0.00 0.00 179.25 178.87 1x51 h LEU 32 N -1.15 1.04 0.00 0.00 3.38 -2.02 -3.47 115.31 113.10 1x51 h LEU 32 Ca -0.11 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1x51 h LEU 32 Cb 0.90 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1x51 h LEU 32 CO 0.14 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.19 1x51 n GLY 33 N -0.94 -2.41 3.63 0.83 0.00 -1.17 -5.16 105.19 99.97 1x51 n GLY 33 Ca 0.07 0.80 -0.10 0.00 0.00 0.00 0.00 46.02 46.79 1x51 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x51 s ALA 34 N -1.00 -1.95 0.24 4.61 0.00 -1.26 -0.25 121.76 122.15 1x51 s ALA 34 Ca 0.00 1.85 0.06 0.00 0.00 0.00 0.00 51.96 53.88 1x51 s ALA 34 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1x51 s ALA 34 CO 0.00 -0.25 -0.07 1.14 0.00 0.00 0.00 175.76 176.58 1x51 s GLN 35 N 0.10 1.42 0.48 0.00 0.00 -0.69 -4.50 119.66 116.47 1x51 s GLN 35 Ca 0.02 -1.69 0.06 0.00 -0.00 0.00 0.00 55.36 53.74 1x51 s GLN 35 Cb -0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 33.01 31.94 1x51 s GLN 35 CO -0.05 0.05 0.24 0.96 0.00 0.00 0.00 175.29 176.50 1x51 s ILE 36 N -3.09 1.88 0.09 3.63 -4.36 0.90 -1.07 121.20 119.18 1x51 s ILE 36 Ca 0.27 -1.66 0.03 0.00 -0.26 0.00 0.00 60.65 59.03 1x51 s ILE 36 Cb 0.03 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 1x51 s ILE 36 CO 0.09 0.00 0.08 -0.22 0.24 0.00 0.00 174.94 175.13 1x51 s LEU 37 N -4.05 3.78 -0.04 0.37 2.96 -0.38 -1.67 118.68 119.65 1x51 s LEU 37 Ca 0.32 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1x51 s LEU 37 Cb 0.01 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1x51 s LEU 37 CO 0.19 0.17 0.08 -0.22 -1.32 0.00 0.00 176.35 175.24 1x51 s LEU 38 N -2.43 1.23 -0.05 -0.68 2.96 -0.33 -4.72 118.68 114.66 1x51 s LEU 38 Ca 0.29 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 1x51 s LEU 38 Cb -0.12 0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.72 1x51 s LEU 38 CO 0.22 -0.09 -0.17 0.68 -1.32 0.00 0.00 176.35 175.66 1x51 s VAL 39 N 0.71 2.81 -0.20 1.68 -7.23 -0.33 -0.97 120.40 116.87 1x51 s VAL 39 Ca -0.06 -0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1x51 s VAL 39 Cb -0.08 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 1x51 s VAL 39 CO -0.03 0.58 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.68 1x51 s GLN 40 N -0.61 3.30 0.61 4.82 0.74 -1.17 -0.57 119.66 126.78 1x51 s GLN 40 Ca 0.09 -0.68 -0.19 0.00 0.05 0.00 0.00 55.36 54.64 1x51 s GLN 40 Cb -0.11 -2.85 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 1x51 s GLN 40 CO 0.01 -0.12 1.26 1.03 -0.55 0.00 0.00 175.29 176.91 1x51 s ARG 41 N 1.23 2.79 0.00 1.67 3.00 -1.15 -4.90 118.95 121.61 1x51 s ARG 41 Ca 0.03 1.97 -0.23 0.00 0.00 0.00 0.00 55.73 57.49 1x51 s ARG 41 Cb -0.14 -1.92 -0.18 0.00 0.00 0.00 0.00 34.95 32.71 1x51 s ARG 41 CO -0.04 -1.39 1.30 -1.00 0.00 0.00 0.00 175.30 174.18 1x51 h PRO 42 N 0.78 0.15 -0.50 3.54 0.13 -1.97 -3.05 132.00 131.08 1x51 h PRO 42 Ca -0.51 -0.08 0.19 0.00 -0.87 0.00 0.00 66.00 64.73 1x51 h PRO 42 Cb 1.32 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.24 1x51 h PRO 42 CO 0.54 0.59 -0.02 -0.80 -0.23 0.00 0.00 178.00 178.08 1x51 s ASN 43 N -5.88 -0.74 -0.28 1.44 -0.87 -1.26 -4.09 114.94 103.26 1x51 s ASN 43 Ca -0.15 0.34 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 1x51 s ASN 43 Cb 0.03 1.57 0.08 0.00 -0.02 0.00 0.00 41.25 42.91 1x51 s ASN 43 CO 0.71 -0.14 0.03 -0.44 -2.57 0.00 0.00 177.10 174.69 1x51 s SER 44 N 2.92 3.99 0.12 -1.22 0.01 -1.26 -4.99 113.70 113.28 1x51 s SER 44 Ca 0.10 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.87 1x51 s SER 44 Cb -0.09 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1x51 s SER 44 CO -0.17 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1x51 n GLY 45 N 4.69 0.69 0.25 3.44 0.00 -1.26 -3.14 105.19 109.86 1x51 n GLY 45 Ca -0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.07 -8.24 0.99 3.38 -1.98 -3.27 115.31 105.11 1x51 h LEU 46 Ca 0.00 0.15 -0.39 0.00 0.09 0.00 0.00 57.88 57.73 1x51 h LEU 46 Cb 0.00 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1x51 h LEU 46 CO 0.00 -0.20 0.98 -0.76 0.09 0.00 0.00 178.44 178.54 1x51 s LEU 47 N -8.22 3.25 0.10 1.67 1.43 -1.19 -4.94 118.68 110.78 1x51 s LEU 47 Ca -0.08 -0.68 0.10 0.00 -1.03 0.00 0.00 54.13 52.44 1x51 s LEU 47 Cb 0.05 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1x51 s LEU 47 CO 0.34 -2.42 -0.27 0.00 0.23 0.00 0.00 176.35 174.24 1x51 s ALA 48 N 8.77 2.34 -0.65 4.21 0.00 -1.23 -4.07 121.76 131.13 1x51 s ALA 48 Ca 0.64 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1x51 s ALA 48 Cb -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1x51 s ALA 48 CO 0.01 0.54 0.23 0.41 0.00 0.00 0.00 175.76 176.95 1x51 n GLY 49 N 1.22 0.17 3.78 0.00 0.00 -1.15 -4.91 105.19 104.30 1x51 n GLY 49 Ca -0.18 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.99 3.94 0.00 0.99 2.01 -1.26 -4.89 118.68 116.48 1x51 s LEU 50 Ca 0.11 0.25 -0.24 0.00 0.01 0.00 0.00 54.13 54.26 1x51 s LEU 50 Cb -0.05 -2.05 -0.05 0.00 0.01 0.00 0.00 46.19 44.05 1x51 s LEU 50 CO 0.14 0.35 0.74 0.26 1.01 0.00 0.00 176.35 178.86 1x51 s TRP 51 N -1.03 3.68 0.11 0.29 0.52 -0.86 -2.91 118.94 118.74 1x51 s TRP 51 Ca 0.17 1.39 -0.25 0.00 0.02 0.00 0.00 56.10 57.43 1x51 s TRP 51 Cb -0.12 -2.81 0.08 0.00 -1.15 0.00 0.00 33.47 29.47 1x51 s TRP 51 CO 0.07 0.21 0.74 -1.83 0.02 0.00 0.00 176.95 176.16 1x51 s GLU 52 N 0.25 1.14 0.48 4.98 -1.05 0.26 -3.79 118.70 120.97 1x51 s GLU 52 Ca 0.38 -0.46 -0.24 0.00 -0.15 0.00 0.00 54.97 54.50 1x51 s GLU 52 Cb -0.19 0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 33.92 1x51 s GLU 52 CO 0.21 -0.51 1.37 -0.06 0.95 0.00 0.00 175.26 177.23 1x51 s PHE 53 N -3.50 2.48 0.40 4.83 0.08 -1.26 -1.19 117.98 119.82 1x51 s PHE 53 Ca 0.04 1.34 -0.25 0.00 0.12 0.00 0.00 56.93 58.17 1x51 s PHE 53 Cb -0.01 -3.81 -0.08 0.00 -0.57 0.00 0.00 43.02 38.54 1x51 s PHE 53 CO -0.09 -2.72 1.19 -1.25 -0.10 0.00 0.00 175.22 172.25 1x51 s PRO 54 N -2.59 4.04 0.14 0.24 0.04 -1.26 -4.83 135.00 130.77 1x51 s PRO 54 Ca 0.64 1.89 -0.06 0.00 0.04 0.00 0.00 61.00 63.50 1x51 s PRO 54 Cb -0.41 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 1x51 s PRO 54 CO 0.51 -0.35 0.20 -1.54 0.04 0.00 0.00 177.00 175.86 1x51 s SER 55 N -1.08 0.14 0.42 6.66 1.04 -1.26 -2.53 113.70 117.09 1x51 s SER 55 Ca 0.57 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 56.09 1x51 s SER 55 Cb -0.32 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1x51 s SER 55 CO 0.40 -0.81 0.06 1.33 0.98 0.00 0.00 173.24 175.20 1x51 n VAL 56 N -0.14 0.00 -2.19 5.02 0.24 -0.04 -4.92 118.33 116.30 1x51 n VAL 56 Ca -0.08 -2.15 -0.42 0.00 -2.04 0.00 0.00 64.34 59.64 1x51 n VAL 56 Cb 0.63 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.56 1x51 n VAL 56 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1x51 s THR 57 N -2.78 3.56 0.91 3.34 -4.23 -1.26 -1.68 115.64 113.50 1x51 s THR 57 Ca 0.09 1.00 -0.16 0.00 -1.18 0.00 0.00 61.69 61.44 1x51 s THR 57 Cb 0.00 -3.65 -0.09 0.00 1.34 0.00 0.00 72.50 70.11 1x51 s THR 57 CO 0.06 0.02 -0.26 1.87 -0.54 0.00 0.00 174.62 175.77 1x51 n TRP 58 N 5.03 -3.49 -3.83 3.99 -0.00 -1.19 -4.70 117.44 113.26 1x51 n TRP 58 Ca 0.13 0.12 -0.13 0.00 -0.00 0.00 0.00 57.50 57.62 1x51 n TRP 58 Cb 0.43 -1.61 -0.14 0.00 -0.00 0.00 0.00 31.31 29.99 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 -2.45 0.02 0.50 5.87 0.41 -1.26 -4.98 118.70 116.81 1x51 s GLU 59 Ca 0.49 0.10 0.29 0.00 -0.41 0.00 0.00 54.97 55.44 1x51 s GLU 59 Cb -0.24 -0.07 1.22 0.00 -1.78 0.00 0.00 34.13 33.26 1x51 s GLU 59 CO 0.74 -0.06 1.94 -1.00 -0.49 0.00 0.00 175.26 176.39 1x51 h PRO 60 N 6.52 0.00 -5.90 0.39 0.13 -1.98 -3.44 132.00 127.72 1x51 h PRO 60 Ca -0.32 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.17 1x51 h PRO 60 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1x51 h PRO 60 CO 0.48 0.12 -0.52 0.45 -0.23 0.00 0.00 178.00 178.30 1x51 s SER 61 N -5.96 6.13 0.52 1.44 0.15 -1.26 -4.99 113.70 109.73 1x51 s SER 61 Ca 0.00 0.26 0.33 0.00 0.70 0.00 0.00 55.95 57.24 1x51 s SER 61 Cb 0.10 -1.86 1.42 0.00 -1.71 0.00 0.00 66.02 63.97 1x51 s SER 61 CO 0.59 0.25 1.98 -0.08 1.20 0.00 0.00 173.24 177.18 1x51 h GLU 62 N 3.76 0.00 0.00 5.44 4.57 -2.02 -2.97 114.58 123.36 1x51 h GLU 62 Ca -0.48 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.50 1x51 h GLU 62 Cb 1.18 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 1x51 h GLU 62 CO 0.68 0.00 -1.13 0.37 -1.18 0.00 0.00 179.01 177.75 1x51 h GLN 63 N 0.00 0.00 -1.01 1.92 4.15 -1.95 -3.35 115.11 114.87 1x51 h GLN 63 Ca 0.00 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.67 1x51 h GLN 63 Cb 0.43 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.00 1x51 h GLN 63 CO 0.00 0.83 0.60 -0.07 -1.93 0.00 0.00 178.83 178.27 1x51 h LEU 64 N -1.00 0.64 0.60 -2.39 4.07 -1.94 0.18 115.31 115.47 1x51 h LEU 64 Ca -0.29 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 1x51 h LEU 64 Cb 1.17 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 1x51 h LEU 64 CO -0.18 0.08 -0.41 -0.61 -1.08 0.00 0.00 178.44 176.24 1x51 h GLN 65 N 0.54 -0.92 -0.92 1.13 5.75 -1.69 -1.06 115.11 117.94 1x51 h GLN 65 Ca 0.65 0.06 0.02 0.00 -0.15 0.00 0.00 58.65 59.24 1x51 h GLN 65 Cb 1.30 0.21 -0.05 0.00 1.07 0.00 0.00 27.48 30.01 1x51 h GLN 65 CO -0.47 -0.62 0.61 0.00 -2.65 0.00 0.00 178.83 175.70 1x51 h ARG 66 N -0.96 1.16 0.00 1.69 3.08 -1.46 0.47 114.38 118.36 1x51 h ARG 66 Ca -0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1x51 h ARG 66 Cb 0.78 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1x51 h ARG 66 CO 0.05 0.77 0.00 1.63 -1.07 0.00 0.00 179.97 181.35 1x51 n LYS 67 N -4.42 0.00 -0.20 0.04 5.02 0.55 -2.01 118.16 117.13 1x51 n LYS 67 Ca 0.12 0.63 -0.03 0.00 -2.02 0.00 0.00 58.31 57.01 1x51 n LYS 67 Cb 0.06 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.75 1x51 n LYS 67 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x51 h ALA 68 N -1.74 1.24 -0.89 7.82 0.00 -1.18 -2.69 119.26 121.82 1x51 h ALA 68 Ca 0.00 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 54.99 1x51 h ALA 68 Cb 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 17.38 1x51 h ALA 68 CO 0.00 0.57 0.32 1.25 0.00 0.00 0.00 179.25 181.39 1x51 h LEU 69 N 0.97 0.17 -0.06 0.00 5.85 0.04 0.01 115.31 122.29 1x51 h LEU 69 Ca 0.23 0.18 -0.12 0.00 0.84 0.00 0.00 57.88 59.01 1x51 h LEU 69 Cb 0.15 0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1x51 h LEU 69 CO -0.02 -0.10 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.47 1x51 h LEU 70 N 0.29 0.49 -0.98 2.25 3.38 -1.08 -3.13 115.31 116.51 1x51 h LEU 70 Ca 0.57 -0.68 0.30 0.00 0.09 0.00 0.00 57.88 58.16 1x51 h LEU 70 Cb 1.14 -0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.57 1x51 h LEU 70 CO -0.60 1.09 0.17 1.56 0.09 0.00 0.00 178.44 180.75 1x51 h GLN 71 N -0.09 0.03 0.17 1.13 4.20 -0.78 0.16 115.11 119.93 1x51 h GLN 71 Ca -0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1x51 h GLN 71 Cb 1.11 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1x51 h GLN 71 CO 0.09 0.02 -0.08 1.49 -0.67 0.00 0.00 178.83 179.67 1x51 h GLU 72 N 0.03 -0.22 -0.78 1.46 4.57 -1.51 -3.17 114.58 114.97 1x51 h GLU 72 Ca 0.65 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 59.03 1x51 h GLU 72 Cb 1.45 0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 29.96 1x51 h GLU 72 CO -0.86 0.18 0.03 -0.07 -1.18 0.00 0.00 179.01 177.10 1x51 h LEU 73 N -0.72 -0.32 -0.94 1.64 3.38 -0.74 0.34 115.31 117.95 1x51 h LEU 73 Ca -0.02 0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.27 1x51 h LEU 73 Cb 0.50 0.34 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 1x51 h LEU 73 CO 0.04 -0.18 0.57 1.56 0.09 0.00 0.00 178.44 180.52 1x51 h GLN 74 N 0.11 0.85 -0.68 1.13 4.20 -1.02 0.10 115.11 119.80 1x51 h GLN 74 Ca 0.43 -0.05 0.20 0.00 0.06 0.00 0.00 58.65 59.29 1x51 h GLN 74 Cb 0.77 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1x51 h GLN 74 CO -0.67 0.56 0.49 0.00 -0.67 0.00 0.00 178.83 178.54 1x51 h ARG 75 N 0.87 0.00 0.00 1.46 3.08 -0.29 -1.79 114.38 117.71 1x51 h ARG 75 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1x51 h ARG 75 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1x51 h ARG 75 CO -0.29 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.52 1x51 n TRP 76 N -4.30 0.00 0.00 3.04 7.02 0.25 -4.84 117.44 118.61 1x51 n TRP 76 Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 1x51 n TRP 76 Cb 0.75 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.49 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 -1.99 -0.11 0.00 6.99 0.00 -0.54 -3.98 120.51 120.88 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 1.33 0.08 3.60 0.00 0.00 -0.67 -4.47 105.19 105.06 1x51 n GLY 78 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 3.36 -0.16 1.61 0.04 -1.26 -4.13 135.00 134.46 1x51 s PRO 79 Ca 0.00 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.34 1x51 s PRO 79 Cb 0.00 -4.17 0.02 0.00 0.04 0.00 0.00 34.50 30.39 1x51 s PRO 79 CO 0.00 -1.83 -0.19 -0.51 0.04 0.00 0.00 177.00 174.51 1x51 s LEU 80 N 6.64 2.03 1.03 -3.56 2.01 -1.26 -5.03 118.68 120.54 1x51 s LEU 80 Ca 0.75 -0.60 -0.13 0.00 0.01 0.00 0.00 54.13 54.16 1x51 s LEU 80 Cb -0.20 -1.40 0.20 0.00 0.01 0.00 0.00 46.19 44.80 1x51 s LEU 80 CO 0.33 0.02 1.09 -2.16 1.01 0.00 0.00 176.35 176.64 1x51 s PRO 81 N 1.15 0.21 -0.06 1.29 0.04 -1.26 -5.03 135.00 131.35 1x51 s PRO 81 Ca 0.01 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1x51 s PRO 81 Cb -0.14 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1x51 s PRO 81 CO -0.09 -2.87 -0.05 0.00 0.04 0.00 0.00 177.00 174.04 1x51 n ALA 82 N -4.26 1.93 0.07 8.56 0.00 -1.26 -4.55 120.51 121.01 1x51 n ALA 82 Ca 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 1x51 n ALA 82 Cb 0.58 0.37 0.12 0.00 0.00 0.00 0.00 19.45 20.52 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 -0.01 1.37 0.00 0.00 1.35 -2.02 -2.97 112.91 110.62 1x51 h THR 83 Ca -0.13 -1.90 -0.06 0.00 -0.55 0.00 0.00 66.41 63.77 1x51 h THR 83 Cb 1.19 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 1x51 h THR 83 CO -0.02 0.57 -0.29 0.45 -0.25 0.00 0.00 175.52 175.97 1x51 h HIS 84 N 0.22 0.00 -4.15 4.73 -0.00 -1.92 -3.44 115.15 110.59 1x51 h HIS 84 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.84 1x51 h HIS 84 Cb 1.07 0.00 0.13 0.00 -0.00 0.00 0.00 27.41 28.61 1x51 h HIS 84 CO 0.02 0.29 0.42 -1.17 -0.00 0.00 0.00 177.93 177.49 1x51 s LEU 85 N -8.37 3.47 -0.23 2.43 2.96 -1.12 -4.61 118.68 113.21 1x51 s LEU 85 Ca -0.03 2.29 -0.28 0.00 -0.22 0.00 0.00 54.13 55.89 1x51 s LEU 85 Cb 0.15 -4.58 0.14 0.00 0.50 0.00 0.00 46.19 42.40 1x51 s LEU 85 CO 0.71 -1.86 1.11 0.00 -1.32 0.00 0.00 176.35 174.99 1x51 s ARG 86 N -3.72 0.43 -0.25 1.98 1.70 -1.00 -5.00 118.95 113.09 1x51 s ARG 86 Ca 0.74 0.24 -0.23 0.00 -0.47 0.00 0.00 55.73 56.01 1x51 s ARG 86 Cb -0.28 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.30 1x51 s ARG 86 CO 0.40 -0.11 0.75 -1.58 -1.08 0.00 0.00 175.30 173.68 1x51 s HIS 87 N -0.61 3.30 -0.54 5.89 5.65 -1.26 -0.97 115.29 126.74 1x51 s HIS 87 Ca 0.02 1.01 0.02 0.00 0.25 0.00 0.00 55.06 56.36 1x51 s HIS 87 Cb -0.02 -2.97 0.14 0.00 -1.18 0.00 0.00 32.58 28.54 1x51 s HIS 87 CO -0.04 -0.37 0.30 -0.51 -0.65 0.00 0.00 174.74 173.47 1x51 s LEU 88 N 2.71 4.53 0.00 8.88 1.43 -0.68 -4.97 118.68 130.58 1x51 s LEU 88 Ca 0.31 -2.97 0.00 0.00 -1.03 0.00 0.00 54.13 50.44 1x51 s LEU 88 Cb -0.15 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1x51 s LEU 88 CO 0.08 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1x51 n GLY 89 N 3.20 -0.47 3.61 -3.19 0.00 -1.26 -4.54 105.19 102.53 1x51 n GLY 89 Ca 0.06 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.61 -0.21 1.61 1.03 -1.26 -3.27 118.70 118.21 1x51 s GLU 90 Ca 0.00 -1.27 -0.04 0.00 0.03 0.00 0.00 54.97 53.69 1x51 s GLU 90 Cb 0.00 0.48 0.09 0.00 -0.80 0.00 0.00 34.13 33.90 1x51 s GLU 90 CO 0.00 -0.68 0.17 0.08 -1.33 0.00 0.00 175.26 173.50 1x51 s VAL 91 N -3.90 -0.22 -0.25 1.83 1.01 0.51 -4.83 120.40 114.55 1x51 s VAL 91 Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1x51 s VAL 91 Cb -0.01 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.72 1x51 s VAL 91 CO 0.10 -0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 174.09 1x51 s VAL 92 N 2.24 2.36 0.00 2.92 1.01 -1.26 -0.97 120.40 126.70 1x51 s VAL 92 Ca 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1x51 s VAL 92 Cb -0.16 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1x51 s VAL 92 CO -0.16 0.07 0.07 -2.28 0.00 0.00 0.00 175.10 172.80 1x51 s HIS 93 N 1.18 3.24 -0.28 5.22 2.46 -1.19 -4.97 115.29 120.94 1x51 s HIS 93 Ca -0.05 0.17 -0.03 0.00 0.47 0.00 0.00 55.06 55.62 1x51 s HIS 93 Cb -0.19 -1.72 0.03 0.00 -0.13 0.00 0.00 32.58 30.58 1x51 s HIS 93 CO -0.05 0.53 -0.00 0.99 -2.47 0.00 0.00 174.74 173.74 1x51 s THR 94 N -1.19 3.17 0.36 0.89 2.01 -1.26 -1.27 115.64 118.34 1x51 s THR 94 Ca 0.23 -1.13 0.06 0.00 0.31 0.00 0.00 61.69 61.15 1x51 s THR 94 Cb -0.12 -2.71 0.06 0.00 0.01 0.00 0.00 72.50 69.74 1x51 s THR 94 CO 0.14 0.02 0.50 0.49 -0.69 0.00 0.00 174.62 175.08 1x51 n PHE 95 N 4.69 -2.57 -1.41 4.92 3.72 0.96 -4.92 117.46 122.85 1x51 n PHE 95 Ca -0.14 -1.30 -0.50 0.00 -0.05 0.00 0.00 57.45 55.45 1x51 n PHE 95 Cb 0.45 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 38.56 1x51 n PHE 95 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x51 n SER 96 N -2.59 1.39 -2.79 4.37 7.64 -1.26 -0.24 113.62 120.13 1x51 n SER 96 Ca 0.10 0.36 -0.11 0.00 1.01 0.00 0.00 58.87 60.23 1x51 n SER 96 Cb 0.37 -1.12 -0.01 0.00 -1.01 0.00 0.00 64.21 62.44 1x51 n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x51 n HIS 97 N 9.83 -1.72 -4.03 1.43 1.44 -1.26 -4.90 115.22 116.01 1x51 n HIS 97 Ca 0.50 0.13 -0.11 0.00 -2.01 0.00 0.00 57.72 56.23 1x51 n HIS 97 Cb 0.14 -1.92 -0.11 0.00 0.12 0.00 0.00 29.99 28.22 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 -2.44 0.39 -0.09 0.61 1.01 0.66 -4.55 121.20 116.79 1x51 s ILE 98 Ca 0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1x51 s ILE 98 Cb -0.07 -0.51 0.03 0.00 0.01 0.00 0.00 42.46 41.92 1x51 s ILE 98 CO 0.17 -0.44 0.02 -0.75 0.00 0.00 0.00 174.94 173.94 1x51 s LYS 99 N -1.60 0.44 0.15 2.79 2.20 -1.15 -0.03 119.74 122.55 1x51 s LYS 99 Ca -0.12 0.08 0.04 0.00 -0.36 0.00 0.00 55.97 55.61 1x51 s LYS 99 Cb -0.10 -1.10 -0.04 0.00 -1.51 0.00 0.00 37.83 35.09 1x51 s LYS 99 CO -0.00 -0.38 0.17 -0.51 -0.36 0.00 0.00 175.35 174.27 1x51 s LEU 100 N 2.01 3.95 -0.29 5.43 2.01 -0.40 -3.94 118.68 127.44 1x51 s LEU 100 Ca 0.04 -0.04 -0.01 0.00 0.01 0.00 0.00 54.13 54.13 1x51 s LEU 100 Cb -0.13 -2.55 0.10 0.00 0.01 0.00 0.00 46.19 43.61 1x51 s LEU 100 CO -0.05 0.07 0.09 -0.89 1.01 0.00 0.00 176.35 176.58 1x51 s THR 101 N -1.73 0.74 -0.24 5.49 2.01 -1.05 -3.17 115.64 117.69 1x51 s THR 101 Ca 0.32 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.02 1x51 s THR 101 Cb -0.10 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1x51 s THR 101 CO 0.25 -0.62 0.03 -0.31 -0.69 0.00 0.00 174.62 173.28 1x51 s TYR 102 N 1.69 3.05 -0.25 4.92 2.02 -0.14 -1.58 117.35 127.06 1x51 s TYR 102 Ca 0.08 -0.58 -0.21 0.00 -0.37 0.00 0.00 57.07 56.00 1x51 s TYR 102 Cb -0.17 -2.19 -0.02 0.00 -0.40 0.00 0.00 41.96 39.18 1x51 s TYR 102 CO -0.25 -0.41 0.65 -0.65 -1.57 0.00 0.00 175.55 173.32 1x51 s GLN 103 N 1.55 4.12 -0.05 -0.62 -1.52 -1.02 -0.37 119.66 121.75 1x51 s GLN 103 Ca 0.06 0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 53.76 1x51 s GLN 103 Cb -0.15 -3.65 -0.03 0.00 -0.22 0.00 0.00 33.01 28.96 1x51 s GLN 103 CO 0.01 -0.42 1.18 0.08 -0.25 0.00 0.00 175.29 175.89 1x51 s VAL 104 N 2.53 4.30 -0.00 1.09 1.01 -1.20 -2.13 120.40 125.99 1x51 s VAL 104 Ca 0.27 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.90 1x51 s VAL 104 Cb -0.15 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1x51 s VAL 104 CO 0.08 0.01 -0.09 -0.31 0.00 0.00 0.00 175.10 174.79 1x51 s TYR 105 N 2.06 0.83 -0.01 5.22 2.02 -0.75 -1.69 117.35 125.02 1x51 s TYR 105 Ca 0.55 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 1x51 s TYR 105 Cb -0.24 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 1x51 s TYR 105 CO 0.22 -0.01 -0.09 0.20 -1.57 0.00 0.00 175.55 174.31 1x51 s GLY 106 N -0.28 1.70 -0.27 0.71 0.00 -0.14 0.58 107.32 109.62 1x51 s GLY 106 Ca 0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 43.70 1x51 s GLY 106 CO -0.00 -0.85 0.54 -2.27 0.00 0.00 0.00 173.10 170.52 1x51 s LEU 107 N -1.22 -1.06 0.03 0.66 1.98 0.52 -2.36 118.68 117.22 1x51 s LEU 107 Ca 0.15 0.93 0.03 0.00 -2.89 0.00 0.00 54.13 52.35 1x51 s LEU 107 Cb -0.11 1.86 -0.02 0.00 0.66 0.00 0.00 46.19 48.58 1x51 s LEU 107 CO 0.05 -0.25 -0.09 0.00 -1.89 0.00 0.00 176.35 174.17 1x51 s ALA 108 N 2.77 0.70 -0.48 5.97 0.00 -1.26 -1.12 121.76 128.34 1x51 s ALA 108 Ca 0.09 -0.67 -0.24 0.00 0.00 0.00 0.00 51.96 51.15 1x51 s ALA 108 Cb -0.14 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1x51 s ALA 108 CO -0.18 0.07 0.84 -0.51 0.00 0.00 0.00 175.76 175.98 1x51 s LEU 109 N -1.15 4.21 0.46 0.00 1.43 -1.00 -4.91 118.68 117.72 1x51 s LEU 109 Ca -0.04 -0.19 0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1x51 s LEU 109 Cb -0.08 -2.93 1.37 0.00 0.03 0.00 0.00 46.19 44.58 1x51 s LEU 109 CO 0.01 -1.02 1.72 -0.08 0.23 0.00 0.00 176.35 177.20 1x51 h GLU 110 N 9.09 0.16 0.00 1.70 4.81 -1.99 -3.40 114.58 124.96 1x51 h GLU 110 Ca -0.25 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1x51 h GLU 110 Cb 1.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1x51 h GLU 110 CO 1.01 0.11 0.00 0.41 -0.73 0.00 0.00 179.01 179.80 1x51 n GLY 111 N -1.60 0.28 0.09 1.92 0.00 -1.26 -4.98 105.19 99.64 1x51 n GLY 111 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 0.52 -3.60 1.61 1.13 -1.26 -5.05 117.38 110.73 1x51 n GLN 112 Ca 0.00 0.43 -0.15 0.00 -1.94 0.00 0.00 57.00 55.34 1x51 n GLN 112 Cb 0.00 -1.62 -0.07 0.00 0.11 0.00 0.00 30.24 28.66 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 -2.46 0.00 0.60 5.09 -4.23 -1.26 -5.18 115.64 108.20 1x51 s THR 113 Ca -0.25 -0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.16 1x51 s THR 113 Cb 0.05 -0.99 0.15 0.00 1.34 0.00 0.00 72.50 73.05 1x51 s THR 113 CO 0.39 -0.00 0.53 -0.81 -0.54 0.00 0.00 174.62 174.20 1x51 n PRO 114 N 2.14 -2.06 -0.04 3.99 -0.04 -1.26 -5.04 135.00 132.69 1x51 n PRO 114 Ca -0.16 -0.85 -0.05 0.00 -0.04 0.00 0.00 63.50 62.40 1x51 n PRO 114 Cb 0.56 -0.80 -0.04 0.00 -0.04 0.00 0.00 33.50 33.18 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 -3.66 0.48 -3.15 0.52 3.14 -1.26 -4.94 118.33 109.46 1x51 n VAL 115 Ca 0.07 -0.21 -0.18 0.00 -2.96 0.00 0.00 64.34 61.07 1x51 n VAL 115 Cb 0.29 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 32.23 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 -2.64 0.00 -3.65 1.55 -2.24 -1.26 -4.85 114.28 101.19 1x51 n THR 116 Ca -0.14 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 1x51 n THR 116 Cb 0.67 -0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.32 -0.36 -0.29 4.28 2.01 -1.26 -5.13 115.64 112.57 1x51 s THR 117 Ca 0.35 0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.49 1x51 s THR 117 Cb -0.20 -0.42 0.11 0.00 0.01 0.00 0.00 72.50 72.00 1x51 s THR 117 CO 0.43 0.10 0.67 0.54 -0.69 0.00 0.00 174.62 175.67 1x51 s VAL 118 N 2.37 -0.50 1.01 3.82 0.11 -1.26 -4.02 120.40 121.93 1x51 s VAL 118 Ca 0.02 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 1x51 s VAL 118 Cb -0.12 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.92 1x51 s VAL 118 CO -0.08 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.62 1x51 s PRO 119 N 2.27 0.36 0.00 1.54 0.04 -1.26 -4.90 135.00 133.06 1x51 s PRO 119 Ca -0.08 0.50 0.15 0.00 0.04 0.00 0.00 61.00 61.61 1x51 s PRO 119 Cb -0.09 -1.73 0.89 0.00 0.04 0.00 0.00 34.50 33.61 1x51 s PRO 119 CO -0.19 -2.77 1.30 -0.35 0.04 0.00 0.00 177.00 175.03 1x51 n PRO 120 N -4.20 0.48 -0.08 0.56 -0.04 -1.26 -2.08 135.00 128.39 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 -1.48 0.12 0.00 -0.04 0.00 0.00 33.50 32.67 1x51 n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x51 n GLY 121 N -0.03 0.97 3.23 0.55 0.00 -1.26 -4.98 105.19 103.67 1x51 n GLY 121 Ca 0.11 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.36 1.35 -0.05 4.61 0.00 -0.88 -3.05 121.76 122.37 1x51 s ALA 122 Ca 0.25 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 1x51 s ALA 122 Cb 0.16 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1x51 s ALA 122 CO 0.23 -0.12 0.12 -0.98 0.00 0.00 0.00 175.76 175.00 1x51 s ARG 123 N -3.76 0.12 -0.55 0.00 1.70 -0.14 -4.74 118.95 111.58 1x51 s ARG 123 Ca 0.16 0.20 -0.18 0.00 -0.47 0.00 0.00 55.73 55.44 1x51 s ARG 123 Cb 0.03 0.01 0.10 0.00 -0.57 0.00 0.00 34.95 34.53 1x51 s ARG 123 CO -0.01 -0.05 0.59 -1.58 -1.08 0.00 0.00 175.30 173.18 1x51 s TRP 124 N 0.29 3.11 0.37 5.89 0.52 -1.26 -1.19 118.94 126.68 1x51 s TRP 124 Ca -0.02 -1.02 0.08 0.00 0.02 0.00 0.00 56.10 55.16 1x51 s TRP 124 Cb -0.03 -3.80 -0.06 0.00 -1.15 0.00 0.00 33.47 28.43 1x51 s TRP 124 CO -0.01 -1.12 0.05 -0.48 0.02 0.00 0.00 176.95 175.40 1x51 s LEU 125 N 2.20 2.97 0.84 2.99 0.05 -0.67 -4.94 118.68 122.12 1x51 s LEU 125 Ca 0.08 -1.11 -0.10 0.00 0.05 0.00 0.00 54.13 53.05 1x51 s LEU 125 Cb -0.26 -1.25 0.14 0.00 -2.05 0.00 0.00 46.19 42.78 1x51 s LEU 125 CO 0.06 -0.36 1.17 0.42 -0.55 0.00 0.00 176.35 177.09 1x51 s THR 126 N -2.59 2.09 0.15 5.48 -4.23 -1.26 -0.07 115.64 115.21 1x51 s THR 126 Ca 0.36 -0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.54 1x51 s THR 126 Cb 0.03 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.99 1x51 s THR 126 CO 0.20 0.00 1.74 1.56 -0.54 0.00 0.00 174.62 177.58 1x51 h GLN 127 N -1.11 0.65 -0.53 3.99 4.20 -1.93 -2.07 115.11 118.31 1x51 h GLN 127 Ca -0.43 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.13 1x51 h GLN 127 Cb 1.27 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 1x51 h GLN 127 CO 0.47 0.53 0.08 0.93 -0.67 0.00 0.00 178.83 180.17 1x51 h GLU 128 N 0.60 0.88 -0.64 1.46 4.39 -1.95 -2.76 114.58 116.56 1x51 h GLU 128 Ca 0.16 -0.24 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1x51 h GLU 128 Cb 0.09 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1x51 h GLU 128 CO -0.02 0.87 0.42 0.93 -1.16 0.00 0.00 179.01 180.04 1x51 h GLU 129 N 0.77 0.75 0.06 2.33 4.39 -1.88 -2.53 114.58 118.46 1x51 h GLU 129 Ca 0.16 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1x51 h GLU 129 Cb 0.42 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1x51 h GLU 129 CO 0.01 0.50 -0.03 0.35 -1.16 0.00 0.00 179.01 178.68 1x51 h PHE 130 N 0.77 -0.07 -0.31 4.33 3.57 -1.08 0.20 116.94 124.35 1x51 h PHE 130 Ca 0.25 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.82 1x51 h PHE 130 Cb 0.05 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 1x51 h PHE 130 CO -0.00 -0.01 -0.14 0.45 -2.23 0.00 0.00 178.31 176.37 1x51 h HIS 131 N -0.11 -0.35 0.00 0.41 3.86 -1.36 -0.63 115.15 116.97 1x51 h HIS 131 Ca -0.01 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1x51 h HIS 131 Cb 0.09 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1x51 h HIS 131 CO -0.06 -0.22 -0.37 1.79 0.86 0.00 0.00 177.93 179.93 1x51 h THR 132 N -0.09 1.17 -2.46 2.45 1.35 -1.36 -3.45 112.91 110.52 1x51 h THR 132 Ca 0.16 -1.32 -0.28 0.00 -0.55 0.00 0.00 66.41 64.42 1x51 h THR 132 Cb 0.34 1.73 0.17 0.00 -1.73 0.00 0.00 68.15 68.65 1x51 h THR 132 CO -0.37 0.36 -0.14 0.00 -0.25 0.00 0.00 175.52 175.13 1x51 n ALA 133 N -2.43 -4.07 -3.32 6.62 0.00 0.70 -4.92 120.51 113.10 1x51 n ALA 133 Ca -0.02 -1.18 -0.47 0.00 0.00 0.00 0.00 53.44 51.78 1x51 n ALA 133 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.08 3.90 0.05 0.00 0.00 -1.26 -5.00 121.76 117.36 1x51 s ALA 134 Ca 0.52 -2.99 0.07 0.00 0.00 0.00 0.00 51.96 49.56 1x51 s ALA 134 Cb -0.09 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1x51 s ALA 134 CO 0.43 -2.17 -0.20 0.08 0.00 0.00 0.00 175.76 173.90 1x51 s VAL 135 N 0.77 1.64 0.39 0.00 1.01 -1.25 -2.02 120.40 120.95 1x51 s VAL 135 Ca 0.12 -1.23 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 1x51 s VAL 135 Cb -0.19 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1x51 s VAL 135 CO -0.04 0.16 1.14 -0.44 0.00 0.00 0.00 175.10 175.93 1x51 s SER 136 N -1.26 6.62 0.05 3.32 0.01 -1.26 -4.77 113.70 116.41 1x51 s SER 136 Ca 0.07 2.28 -0.11 0.00 1.31 0.00 0.00 55.95 59.51 1x51 s SER 136 Cb -0.09 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1x51 s SER 136 CO 0.02 -0.60 0.88 0.41 0.41 0.00 0.00 173.24 174.36 1x51 n THR 137 N 0.13 -0.23 -0.06 1.44 -1.04 -1.26 -1.17 114.28 112.09 1x51 n THR 137 Ca 0.04 1.36 -0.02 0.00 -2.04 0.00 0.00 64.05 63.38 1x51 n THR 137 Cb 0.47 -1.73 -0.02 0.00 -1.82 0.00 0.00 70.33 67.23 1x51 n THR 137 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x51 h ALA 138 N -0.18 -0.21 -0.99 2.41 0.00 -2.00 -0.81 119.26 117.48 1x51 h ALA 138 Ca 0.05 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1x51 h ALA 138 Cb 0.14 0.98 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1x51 h ALA 138 CO -0.32 -0.28 -0.42 -1.33 0.00 0.00 0.00 179.25 176.89 1x51 n MET 139 N -3.38 -0.27 -0.32 0.00 2.00 -0.31 0.14 117.12 114.98 1x51 n MET 139 Ca 0.00 1.52 0.18 0.00 0.00 0.00 0.00 57.70 59.40 1x51 n MET 139 Cb 0.06 -2.25 0.43 0.00 0.00 0.00 0.00 33.22 31.45 1x51 n MET 139 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1x51 h LYS 140 N 0.00 0.54 -0.25 0.03 1.57 0.12 0.37 116.57 118.95 1x51 h LYS 140 Ca 0.31 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1x51 h LYS 140 Cb 0.56 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1x51 h LYS 140 CO -0.97 0.35 -0.15 0.87 -0.57 0.00 0.00 179.45 178.98 1x51 h LYS 141 N 0.55 0.43 0.00 3.15 1.57 0.25 -2.16 116.57 120.36 1x51 h LYS 141 Ca 0.57 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 1x51 h LYS 141 Cb 1.20 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1x51 h LYS 141 CO -0.33 0.57 -0.03 0.28 -0.57 0.00 0.00 179.45 179.37 1x51 h VAL 142 N 0.39 0.31 0.00 0.50 2.07 0.49 -2.30 116.25 117.71 1x51 h VAL 142 Ca 0.07 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1x51 h VAL 142 Cb 0.50 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1x51 h VAL 142 CO 0.03 0.03 -0.00 0.15 0.02 0.00 0.00 177.57 177.80 1x51 h PHE 143 N 0.00 0.00 -1.07 1.57 3.57 -1.28 -2.99 116.94 116.74 1x51 h PHE 143 Ca -0.00 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.79 1x51 h PHE 143 Cb 0.13 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.78 1x51 h PHE 143 CO 0.00 0.00 0.70 0.07 -2.23 0.00 0.00 178.31 176.85 1x51 h ARG 144 N -0.85 0.32 -0.07 1.11 0.11 -1.47 0.64 114.38 114.18 1x51 h ARG 144 Ca 0.00 -0.02 -0.13 0.00 0.10 0.00 0.00 59.98 59.93 1x51 h ARG 144 Cb 0.00 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 1x51 h ARG 144 CO 0.00 0.21 -0.56 0.28 0.10 0.00 0.00 179.97 180.00 1x51 h VAL 145 N 0.33 1.37 -0.26 0.08 2.07 -1.54 -3.19 116.25 115.11 1x51 h VAL 145 Ca 0.61 -1.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1x51 h VAL 145 Cb 1.66 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1x51 h VAL 145 CO -0.27 0.55 0.00 0.22 0.02 0.00 0.00 177.57 178.09 1x51 h TYR 146 N 0.17 0.51 -0.50 1.57 3.20 0.44 -3.27 116.97 119.08 1x51 h TYR 146 Ca -0.00 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 61.83 1x51 h TYR 146 Cb 1.03 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 39.10 1x51 h TYR 146 CO 0.02 0.62 -0.40 1.96 -1.64 0.00 0.00 178.16 178.72 1x51 h GLN 147 N 0.24 -0.12 -5.60 1.82 4.20 -1.38 -3.27 115.11 111.00 1x51 h GLN 147 Ca 0.07 0.01 -0.62 0.00 0.06 0.00 0.00 58.65 58.17 1x51 h GLN 147 Cb 0.42 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 28.09 1x51 h GLN 147 CO 0.01 -0.08 0.75 0.20 -0.67 0.00 0.00 178.83 179.04 1x51 s GLY 148 N -1.98 1.35 0.27 3.46 0.00 -1.23 -4.89 107.32 104.30 1x51 s GLY 148 Ca -0.09 -1.92 -0.01 0.00 0.00 0.00 0.00 44.72 42.69 1x51 s GLY 148 CO 0.42 2.21 1.66 1.46 0.00 0.00 0.00 173.10 178.85 1x51 h GLN 149 N 9.56 0.22 -5.90 2.90 4.20 -1.77 -3.39 115.11 120.93 1x51 h GLN 149 Ca -0.18 -0.01 -0.63 0.00 0.06 0.00 0.00 58.65 57.89 1x51 h GLN 149 Cb 1.06 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 1x51 h GLN 149 CO 1.21 0.14 -0.35 -1.12 -0.67 0.00 0.00 178.83 178.05 1x51 s SER 150 N -5.16 6.56 0.05 1.46 0.01 -1.26 -4.53 113.70 110.83 1x51 s SER 150 Ca -0.12 0.66 -0.29 0.00 1.31 0.00 0.00 55.95 57.51 1x51 s SER 150 Cb 0.24 -2.13 -0.15 0.00 0.21 0.00 0.00 66.02 64.18 1x51 s SER 150 CO 0.76 0.29 1.44 1.23 0.41 0.00 0.00 173.24 177.37 1x51 h GLY 151 N 4.34 -1.11 -0.90 3.44 0.00 -1.96 -3.44 103.07 103.44 1x51 h GLY 151 Ca -0.51 0.44 -0.42 0.00 0.00 0.00 0.00 47.33 46.83 1x51 h GLY 151 CO 0.63 -0.39 0.15 2.56 0.00 0.00 0.00 176.54 179.49 1x51 s PRO 152 N -5.27 -0.89 -0.06 4.80 0.04 -1.26 -5.08 135.00 127.28 1x51 s PRO 152 Ca -0.15 0.05 -0.00 0.00 0.04 0.00 0.00 61.00 60.93 1x51 s PRO 152 Cb 0.02 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 32.96 1x51 s PRO 152 CO 0.46 -3.52 -0.01 0.45 0.04 0.00 0.00 177.00 174.42 1x51 s SER 153 N -3.81 1.29 0.07 6.66 0.15 -1.26 -5.05 113.70 111.75 1x51 s SER 153 Ca 0.70 -0.09 -0.33 0.00 0.70 0.00 0.00 55.95 56.93 1x51 s SER 153 Cb -0.12 -0.42 -0.19 0.00 -1.71 0.00 0.00 66.02 63.58 1x51 s SER 153 CO 0.56 -0.14 1.62 -1.28 1.20 0.00 0.00 173.24 175.19 1x51 h SER 154 N 7.89 -0.75 -0.01 5.45 0.87 -1.99 -3.55 113.55 121.46 1x51 h SER 154 Ca -0.27 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1x51 h SER 154 Cb 1.13 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1x51 h SER 154 CO 0.34 -0.53 0.00 0.61 -0.53 0.00 0.00 176.83 176.72