#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 -0.42 -0.56 1.61 1.04 -1.26 -5.08 113.70 109.03 1x51 s SER 2 Ca 0.00 0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.78 1x51 s SER 2 Cb 0.00 0.38 0.36 0.00 0.10 0.00 0.00 66.02 66.86 1x51 s SER 2 CO 0.00 -0.50 1.06 -1.54 0.98 0.00 0.00 173.24 173.23 1x51 n SER 3 N 0.38 4.74 0.00 7.02 3.41 -1.26 -5.03 113.62 122.89 1x51 n SER 3 Ca -0.11 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 1x51 n SER 3 Cb 0.59 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1x51 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x51 n GLY 4 N -0.32 2.98 3.80 5.00 0.00 -1.26 -5.14 105.19 110.25 1x51 n GLY 4 Ca 0.35 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 6.97 -0.28 1.61 0.15 -1.26 -5.06 113.70 115.82 1x51 s SER 5 Ca 0.00 1.16 -0.20 0.00 0.70 0.00 0.00 55.95 57.61 1x51 s SER 5 Cb 0.00 -2.34 0.12 0.00 -1.71 0.00 0.00 66.02 62.10 1x51 s SER 5 CO 0.00 0.22 0.95 -0.94 1.20 0.00 0.00 173.24 174.67 1x51 s SER 6 N -0.76 -0.56 -0.08 5.45 1.04 -1.26 -5.18 113.70 112.35 1x51 s SER 6 Ca 0.28 0.96 -0.13 0.00 0.48 0.00 0.00 55.95 57.54 1x51 s SER 6 Cb -0.18 1.12 0.03 0.00 0.10 0.00 0.00 66.02 67.09 1x51 s SER 6 CO 0.17 -0.16 0.33 -0.83 0.98 0.00 0.00 173.24 173.74 1x51 s GLY 7 N 0.91 -0.22 0.00 7.32 0.00 -1.26 -5.02 107.32 109.06 1x51 s GLY 7 Ca -0.04 0.72 0.09 0.00 0.00 0.00 0.00 44.72 45.49 1x51 s GLY 7 CO -0.12 0.55 1.00 -1.55 0.00 0.00 0.00 173.10 172.98 1x51 n PRO 8 N 2.23 0.49 -2.46 2.90 -0.04 -1.26 -4.82 135.00 132.04 1x51 n PRO 8 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1x51 n PRO 8 Cb 0.57 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 1x51 n PRO 8 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x51 n ARG 9 N -0.80 -2.35 -4.16 0.54 1.85 -1.26 -4.92 116.66 105.56 1x51 n ARG 9 Ca 0.07 0.52 -0.13 0.00 -1.00 0.00 0.00 57.85 57.31 1x51 n ARG 9 Cb 0.03 -5.10 -0.11 0.00 -1.05 0.00 0.00 32.46 26.23 1x51 n ARG 9 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1x51 s LYS 10 N -5.04 0.79 -1.57 2.89 2.47 -1.26 -5.05 119.74 112.97 1x51 s LYS 10 Ca 0.01 -1.16 -0.10 0.00 -1.56 0.00 0.00 55.97 53.16 1x51 s LYS 10 Cb -0.00 -0.38 -0.08 0.00 -1.46 0.00 0.00 37.83 35.91 1x51 s LYS 10 CO 0.01 0.04 2.95 0.00 0.16 0.00 0.00 175.35 178.51 1x51 n ALA 11 N 0.48 7.52 -3.87 3.13 0.00 -1.26 -4.80 120.51 121.71 1x51 n ALA 11 Ca -0.16 -3.52 -0.00 0.00 0.00 0.00 0.00 53.44 49.76 1x51 n ALA 11 Cb 0.58 -3.32 0.01 0.00 0.00 0.00 0.00 19.45 16.72 1x51 n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x51 s SER 12 N 2.06 -0.02 -0.76 0.00 0.15 -1.26 -5.10 113.70 108.78 1x51 s SER 12 Ca 0.69 -0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 1x51 s SER 12 Cb 0.18 0.31 0.19 0.00 -1.71 0.00 0.00 66.02 65.00 1x51 s SER 12 CO -0.06 -0.61 0.63 -0.13 1.20 0.00 0.00 173.24 174.26 1x51 s ARG 13 N -2.25 3.06 0.02 5.44 0.52 -1.26 -4.90 118.95 119.58 1x51 s ARG 13 Ca 0.23 -2.70 -0.12 0.00 -0.52 0.00 0.00 55.73 52.62 1x51 s ARG 13 Cb -0.00 -4.00 0.01 0.00 0.52 0.00 0.00 34.95 31.48 1x51 s ARG 13 CO 0.01 -1.23 0.25 0.15 0.02 0.00 0.00 175.30 174.51 1x51 s LYS 14 N -0.32 0.68 0.53 3.54 -0.14 -1.26 -5.16 119.74 117.61 1x51 s LYS 14 Ca 0.20 -0.41 -0.20 0.00 -1.36 0.00 0.00 55.97 54.19 1x51 s LYS 14 Cb -0.15 0.29 -0.06 0.00 -1.68 0.00 0.00 37.83 36.23 1x51 s LYS 14 CO -0.07 -0.19 1.13 -1.25 -0.76 0.00 0.00 175.35 174.21 1x51 s PRO 15 N -1.94 3.43 0.31 -1.68 0.04 -1.26 -4.52 135.00 129.37 1x51 s PRO 15 Ca -0.10 1.63 0.09 0.00 0.04 0.00 0.00 61.00 62.66 1x51 s PRO 15 Cb -0.04 -2.07 0.49 0.00 0.04 0.00 0.00 34.50 32.93 1x51 s PRO 15 CO -0.00 -0.79 1.70 -1.00 0.04 0.00 0.00 177.00 176.95 1x51 h PRO 16 N 1.34 0.10 -0.08 0.56 0.13 -1.93 -3.33 132.00 128.79 1x51 h PRO 16 Ca -0.50 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1x51 h PRO 16 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1x51 h PRO 16 CO 0.57 0.56 -0.05 0.54 -0.23 0.00 0.00 178.00 179.39 1x51 n ARG 17 N -3.98 -0.04 -2.39 0.86 5.12 -1.26 -3.47 116.66 111.50 1x51 n ARG 17 Ca -0.02 0.86 -0.40 0.00 -1.93 0.00 0.00 57.85 56.36 1x51 n ARG 17 Cb 0.51 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 1x51 n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1x51 s GLU 18 N -3.24 3.02 -0.18 5.56 0.41 -1.25 -2.55 118.70 120.47 1x51 s GLU 18 Ca -0.01 0.05 -0.04 0.00 -0.41 0.00 0.00 54.97 54.56 1x51 s GLU 18 Cb 0.01 -4.24 0.09 0.00 -1.78 0.00 0.00 34.13 28.20 1x51 s GLU 18 CO 0.05 -2.32 0.25 -1.21 -0.49 0.00 0.00 175.26 171.54 1x51 s GLU 19 N 6.13 0.19 0.06 1.61 0.41 -1.23 -4.94 118.70 120.93 1x51 s GLU 19 Ca 0.45 0.42 0.06 0.00 -0.41 0.00 0.00 54.97 55.50 1x51 s GLU 19 Cb -0.10 -0.74 -0.03 0.00 -1.78 0.00 0.00 34.13 31.49 1x51 s GLU 19 CO 0.17 -0.53 -0.18 -1.12 -0.49 0.00 0.00 175.26 173.12 1x51 s SER 20 N 2.37 2.11 0.16 -0.19 0.01 -1.26 -1.83 113.70 115.07 1x51 s SER 20 Ca 0.06 -0.55 -0.17 0.00 1.31 0.00 0.00 55.95 56.59 1x51 s SER 20 Cb -0.14 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1x51 s SER 20 CO -0.11 0.06 0.47 -0.44 0.41 0.00 0.00 173.24 173.63 1x51 s SER 21 N -1.41 -0.27 -0.21 2.44 0.01 -0.03 -3.14 113.70 111.08 1x51 s SER 21 Ca 0.04 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.93 1x51 s SER 21 Cb -0.09 0.53 0.05 0.00 0.21 0.00 0.00 66.02 66.72 1x51 s SER 21 CO 0.02 -0.95 -0.09 0.00 0.41 0.00 0.00 173.24 172.63 1x51 s ALA 22 N -3.84 2.02 0.13 1.44 0.00 -0.15 -2.13 121.76 119.23 1x51 s ALA 22 Ca 0.06 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1x51 s ALA 22 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1x51 s ALA 22 CO -0.08 -0.94 0.14 -0.08 0.00 0.00 0.00 175.76 174.80 1x51 s THR 23 N 1.38 4.68 0.03 0.00 -1.32 -1.04 -0.73 115.64 118.63 1x51 s THR 23 Ca -0.03 -0.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.60 1x51 s THR 23 Cb -0.17 -3.34 -0.02 0.00 -1.51 0.00 0.00 72.50 67.46 1x51 s THR 23 CO -0.07 -0.01 -0.09 0.00 -2.21 0.00 0.00 174.62 172.23 1x51 s VAL 25 N -0.81 5.20 -0.24 0.00 1.01 0.97 -4.40 120.40 122.12 1x51 s VAL 25 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1x51 s VAL 25 Cb -0.07 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1x51 s VAL 25 CO 0.00 -0.09 0.15 -0.22 0.00 0.00 0.00 175.10 174.94 1x51 s LEU 26 N 1.70 4.02 0.12 3.92 2.96 -1.25 -0.74 118.68 129.41 1x51 s LEU 26 Ca 0.06 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1x51 s LEU 26 Cb -0.18 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1x51 s LEU 26 CO 0.10 0.05 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.35 1x51 s GLU 27 N 1.15 1.01 -0.01 1.98 2.12 -0.72 -1.25 118.70 122.98 1x51 s GLU 27 Ca 0.07 -1.26 -0.07 0.00 0.36 0.00 0.00 54.97 54.07 1x51 s GLU 27 Cb -0.14 -0.81 0.00 0.00 0.26 0.00 0.00 34.13 33.44 1x51 s GLU 27 CO 0.05 0.15 0.14 -0.65 -0.54 0.00 0.00 175.26 174.40 1x51 s GLN 28 N -2.86 0.41 -0.09 4.30 -0.21 -0.54 -2.36 119.66 118.32 1x51 s GLN 28 Ca 0.10 -0.27 -0.30 0.00 0.02 0.00 0.00 55.36 54.91 1x51 s GLN 28 Cb -0.03 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 34.10 1x51 s GLN 28 CO 0.02 -0.09 1.52 -1.25 -2.12 0.00 0.00 175.29 173.37 1x51 s PRO 29 N -1.05 4.20 0.11 2.91 0.04 -1.26 -2.31 135.00 137.64 1x51 s PRO 29 Ca -0.11 2.01 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1x51 s PRO 29 Cb -0.06 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1x51 s PRO 29 CO 0.01 -0.79 -0.05 0.20 0.04 0.00 0.00 177.00 176.41 1x51 s GLY 30 N 2.85 1.82 0.18 0.56 0.00 -0.17 -4.92 107.32 107.64 1x51 s GLY 30 Ca 0.67 -1.23 -0.22 0.00 0.00 0.00 0.00 44.72 43.94 1x51 s GLY 30 CO 0.25 -1.22 1.43 0.00 0.00 0.00 0.00 173.10 173.55 1x51 n ALA 31 N 0.49 -0.34 -0.03 3.20 0.00 -1.26 -0.27 120.51 122.30 1x51 n ALA 31 Ca -0.12 0.86 -0.11 0.00 0.00 0.00 0.00 53.44 54.07 1x51 n ALA 31 Cb 0.53 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 1x51 n ALA 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x51 h LEU 32 N 0.00 0.20 0.00 0.00 3.38 -2.02 -3.48 115.31 113.40 1x51 h LEU 32 Ca 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1x51 h LEU 32 Cb 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1x51 h LEU 32 CO -0.89 0.30 0.00 0.61 0.09 0.00 0.00 178.44 178.55 1x51 n GLY 33 N -0.72 -2.01 3.52 0.83 0.00 0.62 -5.18 105.19 102.26 1x51 n GLY 33 Ca -0.05 0.68 -0.08 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.86 0.07 4.61 0.00 -1.26 -1.00 121.76 121.32 1x51 s ALA 34 Ca 0.00 1.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1x51 s ALA 34 Cb 0.00 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1x51 s ALA 34 CO 0.00 -0.64 0.39 1.14 0.00 0.00 0.00 175.76 176.65 1x51 s GLN 35 N -2.84 0.96 0.47 0.00 -2.07 -0.98 -4.51 119.66 110.68 1x51 s GLN 35 Ca 0.05 -0.51 0.07 0.00 -1.82 0.00 0.00 55.36 53.15 1x51 s GLN 35 Cb -0.01 0.42 -0.00 0.00 -1.09 0.00 0.00 33.01 32.33 1x51 s GLN 35 CO -0.07 -0.34 0.36 0.96 -1.32 0.00 0.00 175.29 174.87 1x51 s ILE 36 N -2.97 2.18 0.06 3.63 -4.36 0.20 -1.46 121.20 118.48 1x51 s ILE 36 Ca -0.02 -1.46 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 1x51 s ILE 36 Cb 0.00 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 1x51 s ILE 36 CO -0.06 0.00 0.05 -0.22 0.24 0.00 0.00 174.94 174.95 1x51 s LEU 37 N -4.16 3.69 -0.10 0.37 2.96 -0.38 -1.10 118.68 119.96 1x51 s LEU 37 Ca 0.41 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.24 1x51 s LEU 37 Cb -0.01 -2.32 0.04 0.00 0.50 0.00 0.00 46.19 44.40 1x51 s LEU 37 CO 0.24 0.20 0.23 -0.22 -1.32 0.00 0.00 176.35 175.49 1x51 s LEU 38 N -2.17 0.54 0.18 -0.68 2.96 0.15 -4.71 118.68 114.96 1x51 s LEU 38 Ca 0.26 0.49 0.08 0.00 -0.22 0.00 0.00 54.13 54.74 1x51 s LEU 38 Cb -0.12 0.71 -0.04 0.00 0.50 0.00 0.00 46.19 47.23 1x51 s LEU 38 CO 0.18 -0.15 -0.02 0.68 -1.32 0.00 0.00 176.35 175.72 1x51 s VAL 39 N 1.09 3.57 -0.20 1.68 -7.23 -0.38 0.52 120.40 119.46 1x51 s VAL 39 Ca -0.08 -1.52 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1x51 s VAL 39 Cb -0.09 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1x51 s VAL 39 CO -0.07 -0.13 0.01 -1.58 -0.31 0.00 0.00 175.10 173.01 1x51 s GLN 40 N -2.98 3.66 0.31 4.82 0.74 -1.14 -0.13 119.66 124.95 1x51 s GLN 40 Ca 0.27 -0.50 -0.29 0.00 0.05 0.00 0.00 55.36 54.89 1x51 s GLN 40 Cb -0.09 -3.09 -0.11 0.00 1.10 0.00 0.00 33.01 30.83 1x51 s GLN 40 CO 0.18 0.05 1.44 1.03 -0.55 0.00 0.00 175.29 177.43 1x51 s ARG 41 N 0.91 4.23 0.35 1.67 0.52 -1.16 -4.90 118.95 120.58 1x51 s ARG 41 Ca 0.01 2.39 0.27 0.00 -0.52 0.00 0.00 55.73 57.88 1x51 s ARG 41 Cb -0.14 -3.05 1.12 0.00 0.52 0.00 0.00 34.95 33.40 1x51 s ARG 41 CO 0.02 -0.42 1.80 -1.00 0.02 0.00 0.00 175.30 175.72 1x51 h PRO 42 N 4.00 0.00 -6.26 3.54 0.13 -1.96 -3.28 132.00 128.16 1x51 h PRO 42 Ca -0.48 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.16 1x51 h PRO 42 Cb 1.23 0.00 0.25 0.00 0.13 0.00 0.00 31.00 32.60 1x51 h PRO 42 CO 0.71 0.00 -2.04 0.09 -0.23 0.00 0.00 178.00 176.53 1x51 n ASN 43 N -2.50 -2.95 -3.55 1.44 4.13 -1.26 -4.80 115.26 105.78 1x51 n ASN 43 Ca 0.02 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1x51 n ASN 43 Cb 0.25 -0.70 -0.04 0.00 -1.54 0.00 0.00 39.78 37.75 1x51 n ASN 43 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x51 s SER 44 N -1.33 -1.10 0.00 6.41 0.15 -1.26 -3.12 113.70 113.44 1x51 s SER 44 Ca 0.44 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1x51 s SER 44 Cb 0.00 2.20 0.00 0.00 -1.71 0.00 0.00 66.02 66.51 1x51 s SER 44 CO 0.67 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.51 1x51 n GLY 45 N 5.39 -0.54 0.22 9.45 0.00 -1.26 -4.92 105.19 113.52 1x51 n GLY 45 Ca -0.10 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.64 -6.30 0.99 3.38 -2.03 -3.32 115.31 107.39 1x51 h LEU 46 Ca 0.00 0.06 -0.63 0.00 0.09 0.00 0.00 57.88 57.40 1x51 h LEU 46 Cb 0.00 0.22 -0.40 0.00 0.09 0.00 0.00 40.66 40.57 1x51 h LEU 46 CO 0.00 -0.27 -0.41 -0.11 0.09 0.00 0.00 178.44 177.74 1x51 n LEU 47 N -3.71 4.12 -4.21 1.67 0.00 -1.26 -5.04 117.00 108.57 1x51 n LEU 47 Ca -0.05 -5.42 -0.13 0.00 0.00 0.00 0.00 56.01 50.41 1x51 n LEU 47 Cb 0.19 -0.75 -0.10 0.00 0.00 0.00 0.00 43.42 42.77 1x51 n LEU 47 CO 0.10 2.01 -0.21 0.00 0.00 0.00 0.00 177.39 179.29 1x51 s ALA 48 N -2.51 1.27 -1.06 1.96 0.00 -1.25 -4.86 121.76 115.31 1x51 s ALA 48 Ca 0.39 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1x51 s ALA 48 Cb 0.13 1.40 0.00 0.00 0.00 0.00 0.00 23.12 24.65 1x51 s ALA 48 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1x51 n GLY 49 N -0.34 1.13 3.85 0.00 0.00 -1.18 -4.66 105.19 103.98 1x51 n GLY 49 Ca 0.03 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.28 4.34 0.32 0.99 2.01 -1.26 -4.74 118.68 118.06 1x51 s LEU 50 Ca 0.00 1.05 -0.27 0.00 0.01 0.00 0.00 54.13 54.92 1x51 s LEU 50 Cb 0.00 -3.23 -0.09 0.00 0.01 0.00 0.00 46.19 42.88 1x51 s LEU 50 CO 0.00 0.11 1.04 0.26 1.01 0.00 0.00 176.35 178.77 1x51 s TRP 51 N -1.45 3.56 -0.08 0.29 0.52 -1.03 -2.97 118.94 117.78 1x51 s TRP 51 Ca 0.37 1.73 -0.31 0.00 0.02 0.00 0.00 56.10 57.90 1x51 s TRP 51 Cb -0.15 -3.14 0.12 0.00 -1.15 0.00 0.00 33.47 29.15 1x51 s TRP 51 CO 0.19 -0.31 1.05 -1.83 0.02 0.00 0.00 176.95 176.06 1x51 s GLU 52 N -1.82 0.60 0.54 4.98 4.04 0.82 -4.11 118.70 123.74 1x51 s GLU 52 Ca 0.49 -0.23 -0.21 0.00 0.04 0.00 0.00 54.97 55.06 1x51 s GLU 52 Cb -0.26 0.27 -0.05 0.00 0.02 0.00 0.00 34.13 34.11 1x51 s GLU 52 CO 0.33 -0.26 1.26 -0.06 -1.84 0.00 0.00 175.26 174.69 1x51 s PHE 53 N -2.80 2.46 0.37 4.83 0.08 -1.26 -1.25 117.98 120.41 1x51 s PHE 53 Ca 0.08 1.46 -0.27 0.00 0.12 0.00 0.00 56.93 58.32 1x51 s PHE 53 Cb -0.01 -3.59 -0.09 0.00 -0.57 0.00 0.00 43.02 38.76 1x51 s PHE 53 CO -0.06 -2.34 1.20 -1.25 -0.10 0.00 0.00 175.22 172.67 1x51 s PRO 54 N -3.00 4.18 0.21 0.24 0.04 -1.26 -4.84 135.00 130.57 1x51 s PRO 54 Ca 0.72 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 63.63 1x51 s PRO 54 Cb -0.34 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1x51 s PRO 54 CO 0.40 -0.24 0.30 -1.54 0.04 0.00 0.00 177.00 175.96 1x51 s SER 55 N -0.92 0.03 0.33 6.66 1.04 -1.26 -2.42 113.70 117.16 1x51 s SER 55 Ca 0.54 -1.08 0.03 0.00 0.48 0.00 0.00 55.95 55.92 1x51 s SER 55 Cb -0.34 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.20 1x51 s SER 55 CO 0.43 -0.97 0.07 0.68 0.98 0.00 0.00 173.24 174.43 1x51 s VAL 56 N -4.06 1.05 0.70 5.02 -7.23 0.09 -4.92 120.40 111.05 1x51 s VAL 56 Ca 0.27 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 1x51 s VAL 56 Cb 0.03 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1x51 s VAL 56 CO 0.08 0.00 0.80 1.07 -0.31 0.00 0.00 175.10 176.74 1x51 n THR 57 N -0.70 2.54 -2.28 5.32 5.66 -1.26 -0.98 114.28 122.58 1x51 n THR 57 Ca -0.03 -0.40 -0.39 0.00 -3.05 0.00 0.00 64.05 60.18 1x51 n THR 57 Cb 0.66 -0.96 -0.02 0.00 -1.55 0.00 0.00 70.33 68.46 1x51 n THR 57 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1x51 s TRP 58 N -1.81 3.14 -0.05 1.09 -0.00 -1.19 -4.40 118.94 115.73 1x51 s TRP 58 Ca 0.71 1.54 0.02 0.00 -0.00 0.00 0.00 56.10 58.38 1x51 s TRP 58 Cb -0.36 -3.45 0.01 0.00 -0.00 0.00 0.00 33.47 29.68 1x51 s TRP 58 CO 0.53 -1.33 -0.10 -1.21 -0.00 0.00 0.00 176.95 174.84 1x51 s GLU 59 N -2.04 1.34 0.43 5.86 0.41 -1.26 -5.00 118.70 118.44 1x51 s GLU 59 Ca 0.53 -0.35 0.22 0.00 -0.41 0.00 0.00 54.97 54.97 1x51 s GLU 59 Cb -0.33 -1.17 0.95 0.00 -1.78 0.00 0.00 34.13 31.80 1x51 s GLU 59 CO 0.42 0.05 1.85 -1.00 -0.49 0.00 0.00 175.26 176.10 1x51 h PRO 60 N 6.76 0.00 -5.65 0.39 0.13 -1.98 -3.43 132.00 128.23 1x51 h PRO 60 Ca -0.33 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.22 1x51 h PRO 60 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1x51 h PRO 60 CO 0.48 0.26 -0.19 0.45 -0.23 0.00 0.00 178.00 178.77 1x51 s SER 61 N -6.32 6.60 0.57 1.44 0.15 -1.26 -4.95 113.70 109.93 1x51 s SER 61 Ca -0.01 0.71 0.28 0.00 0.70 0.00 0.00 55.95 57.64 1x51 s SER 61 Cb 0.11 -2.26 1.51 0.00 -1.71 0.00 0.00 66.02 63.68 1x51 s SER 61 CO 0.65 0.02 1.98 -0.08 1.20 0.00 0.00 173.24 177.01 1x51 h GLU 62 N 6.76 0.00 0.00 5.44 4.57 -2.01 -1.92 114.58 127.42 1x51 h GLU 62 Ca -0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1x51 h GLU 62 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1x51 h GLU 62 CO 0.75 0.00 -0.14 0.37 -1.18 0.00 0.00 179.01 178.81 1x51 h GLN 63 N 0.00 0.00 -1.07 1.92 4.15 -1.95 -3.29 115.11 114.88 1x51 h GLN 63 Ca 0.19 0.00 0.40 0.00 0.77 0.00 0.00 58.65 60.01 1x51 h GLN 63 Cb 0.94 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.47 1x51 h GLN 63 CO -0.00 0.00 0.61 -0.07 -1.93 0.00 0.00 178.83 177.44 1x51 h LEU 64 N -0.86 0.35 0.72 -2.39 4.07 -1.89 0.24 115.31 115.55 1x51 h LEU 64 Ca 0.00 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 1x51 h LEU 64 Cb 0.14 0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.10 1x51 h LEU 64 CO 0.00 -0.31 -0.36 -0.61 -1.08 0.00 0.00 178.44 176.08 1x51 h GLN 65 N 0.10 -0.95 -0.93 1.13 5.75 -1.50 -2.27 115.11 116.43 1x51 h GLN 65 Ca 0.82 0.06 0.01 0.00 -0.15 0.00 0.00 58.65 59.39 1x51 h GLN 65 Cb 2.18 0.22 -0.05 0.00 1.07 0.00 0.00 27.48 30.90 1x51 h GLN 65 CO -0.66 -0.63 0.62 0.00 -2.65 0.00 0.00 178.83 175.50 1x51 h ARG 66 N -0.99 1.23 -0.35 1.69 3.08 -0.72 0.12 114.38 118.44 1x51 h ARG 66 Ca -0.10 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 59.95 1x51 h ARG 66 Cb 0.76 -0.28 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 1x51 h ARG 66 CO 0.15 0.81 -0.18 0.87 -1.07 0.00 0.00 179.97 180.56 1x51 h LYS 67 N 1.26 -0.12 0.06 0.04 1.57 -0.72 -2.65 116.57 116.02 1x51 h LYS 67 Ca 0.34 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1x51 h LYS 67 Cb -0.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1x51 h LYS 67 CO -0.07 -0.08 -0.03 0.00 -0.57 0.00 0.00 179.45 178.70 1x51 h ALA 68 N 1.13 -0.09 -1.06 3.86 0.00 -1.11 -2.77 119.26 119.23 1x51 h ALA 68 Ca 0.18 -0.29 0.35 0.00 0.00 0.00 0.00 54.91 55.15 1x51 h ALA 68 Cb 0.39 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1x51 h ALA 68 CO -0.43 -0.21 0.69 -0.11 0.00 0.00 0.00 179.25 179.20 1x51 n LEU 69 N -4.82 0.13 -0.03 0.00 7.94 0.40 0.16 117.00 120.77 1x51 n LEU 69 Ca -0.08 0.96 -0.21 0.00 -1.11 0.00 0.00 56.01 55.56 1x51 n LEU 69 Cb 0.30 -0.47 -0.13 0.00 0.53 0.00 0.00 43.42 43.65 1x51 n LEU 69 CO 0.30 -1.03 -0.49 -0.07 -1.11 0.00 0.00 177.39 174.98 1x51 h LEU 70 N 0.00 0.25 -1.27 -1.96 3.38 -1.50 -3.18 115.31 111.03 1x51 h LEU 70 Ca 0.64 -0.77 0.12 0.00 0.09 0.00 0.00 57.88 57.96 1x51 h LEU 70 Cb 2.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.80 1x51 h LEU 70 CO -0.29 1.60 0.77 0.06 0.09 0.00 0.00 178.44 180.67 1x51 h GLN 71 N -0.49 0.00 0.00 1.13 3.07 0.18 -0.05 115.11 118.96 1x51 h GLN 71 Ca -0.33 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.19 1x51 h GLN 71 Cb 1.63 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.16 1x51 h GLN 71 CO -0.03 0.00 -1.35 -1.91 0.09 0.00 0.00 178.83 175.64 1x51 n GLU 72 N -3.12 0.55 -0.30 0.06 4.07 -0.70 -4.16 120.64 117.04 1x51 n GLU 72 Ca 0.08 0.49 0.13 0.00 -0.06 0.00 0.00 57.16 57.79 1x51 n GLU 72 Cb 0.92 -1.67 0.28 0.00 -0.06 0.00 0.00 31.44 30.92 1x51 n GLU 72 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1x51 h LEU 73 N -1.00 0.01 -1.14 4.31 3.38 -1.02 0.52 115.31 120.37 1x51 h LEU 73 Ca -0.33 0.19 0.11 0.00 0.09 0.00 0.00 57.88 57.94 1x51 h LEU 73 Cb 1.19 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 1x51 h LEU 73 CO -0.20 -0.14 0.60 1.56 0.09 0.00 0.00 178.44 180.35 1x51 h GLN 74 N 0.22 0.89 -0.86 1.13 4.20 -1.44 0.07 115.11 119.32 1x51 h GLN 74 Ca 0.54 -0.05 0.25 0.00 0.06 0.00 0.00 58.65 59.45 1x51 h GLN 74 Cb 1.09 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.63 1x51 h GLN 74 CO -0.64 0.59 0.61 0.00 -0.67 0.00 0.00 178.83 178.72 1x51 h ARG 75 N 0.92 0.01 0.00 1.46 2.47 -0.12 -1.96 114.38 117.17 1x51 h ARG 75 Ca 0.45 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 1x51 h ARG 75 Cb 0.46 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1x51 h ARG 75 CO -0.21 0.01 0.00 0.91 0.56 0.00 0.00 179.97 181.24 1x51 n TRP 76 N -4.29 0.00 0.00 3.04 7.02 -0.06 -4.81 117.44 118.35 1x51 n TRP 76 Ca 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.66 1x51 n TRP 76 Cb 0.92 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.64 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 -2.13 -0.08 0.00 6.99 0.00 -0.80 -3.94 120.51 120.55 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 1.46 -0.23 3.63 0.00 0.00 -0.74 -4.50 105.19 104.81 1x51 n GLY 78 Ca 0.00 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1x51 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x51 s PRO 79 N 0.00 3.74 -0.03 1.61 0.04 -1.26 -4.15 135.00 134.94 1x51 s PRO 79 Ca 0.00 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1x51 s PRO 79 Cb 0.00 -4.05 -0.00 0.00 0.04 0.00 0.00 34.50 30.49 1x51 s PRO 79 CO 0.00 -1.36 -0.13 -0.51 0.04 0.00 0.00 177.00 175.03 1x51 s LEU 80 N 5.39 1.88 0.00 -3.56 2.01 -1.26 -5.02 118.68 118.12 1x51 s LEU 80 Ca 0.72 -0.27 -0.21 0.00 0.01 0.00 0.00 54.13 54.38 1x51 s LEU 80 Cb -0.24 -0.77 0.31 0.00 0.01 0.00 0.00 46.19 45.50 1x51 s LEU 80 CO 0.30 0.12 1.10 -0.81 1.01 0.00 0.00 176.35 178.07 1x51 n PRO 81 N 3.14 -3.18 0.05 1.29 -0.04 -1.26 -5.05 135.00 129.95 1x51 n PRO 81 Ca -0.18 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1x51 n PRO 81 Cb 0.54 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -4.90 3.00 -0.26 0.55 0.00 -1.26 -4.77 120.51 112.87 1x51 n ALA 82 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.16 1x51 n ALA 82 Cb 0.59 0.25 0.05 0.00 0.00 0.00 0.00 19.45 20.35 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 0.00 1.26 -1.01 0.00 1.35 -2.03 -2.73 112.91 109.75 1x51 h THR 83 Ca 0.00 -0.92 0.23 0.00 -0.55 0.00 0.00 66.41 65.17 1x51 h THR 83 Cb 0.27 0.47 -0.11 0.00 -1.73 0.00 0.00 68.15 67.05 1x51 h THR 83 CO 0.00 0.36 0.61 0.45 -0.25 0.00 0.00 175.52 176.69 1x51 h HIS 84 N 1.08 0.97 -2.00 4.73 -0.00 -1.96 -3.40 115.15 114.57 1x51 h HIS 84 Ca 0.23 0.03 -0.62 0.00 -0.00 0.00 0.00 60.37 60.01 1x51 h HIS 84 Cb 0.32 -0.28 0.02 0.00 -0.00 0.00 0.00 27.41 27.46 1x51 h HIS 84 CO 0.03 0.12 1.08 -0.11 -0.00 0.00 0.00 177.93 179.05 1x51 n LEU 85 N -4.80 3.37 -4.17 2.43 7.94 -1.03 -4.84 117.00 115.90 1x51 n LEU 85 Ca 0.25 0.98 -0.23 0.00 -1.11 0.00 0.00 56.01 55.90 1x51 n LEU 85 Cb 0.71 -1.36 -0.14 0.00 0.53 0.00 0.00 43.42 43.16 1x51 n LEU 85 CO 0.20 -0.08 -0.49 -0.60 -1.11 0.00 0.00 177.39 175.30 1x51 s ARG 86 N 3.96 1.24 -0.14 1.96 6.06 -1.09 -5.02 118.95 125.91 1x51 s ARG 86 Ca 0.93 -0.72 -0.28 0.00 -2.50 0.00 0.00 55.73 53.16 1x51 s ARG 86 Cb -0.72 -1.25 -0.01 0.00 0.06 0.00 0.00 34.95 33.03 1x51 s ARG 86 CO 0.52 0.33 0.94 -1.58 -2.50 0.00 0.00 175.30 173.01 1x51 s HIS 87 N -0.61 3.46 -0.42 5.12 5.65 -1.26 -2.20 115.29 125.03 1x51 s HIS 87 Ca 0.05 1.45 0.02 0.00 0.25 0.00 0.00 55.06 56.83 1x51 s HIS 87 Cb -0.07 -3.12 0.13 0.00 -1.18 0.00 0.00 32.58 28.33 1x51 s HIS 87 CO 0.00 -0.25 0.21 -0.51 -0.65 0.00 0.00 174.74 173.54 1x51 s LEU 88 N 2.16 2.99 0.00 8.88 1.43 -1.13 -4.85 118.68 128.17 1x51 s LEU 88 Ca 0.44 -2.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.05 1x51 s LEU 88 Cb -0.17 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1x51 s LEU 88 CO 0.15 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1x51 n GLY 89 N 3.74 -1.28 3.24 -3.19 0.00 -1.26 -4.57 105.19 101.87 1x51 n GLY 89 Ca 0.06 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.14 1.27 -0.08 1.61 -1.05 -1.26 -3.29 118.70 114.76 1x51 s GLU 90 Ca 0.00 -1.62 -0.01 0.00 -0.15 0.00 0.00 54.97 53.18 1x51 s GLU 90 Cb 0.00 0.29 0.03 0.00 -0.44 0.00 0.00 34.13 34.01 1x51 s GLU 90 CO 0.00 -0.43 0.00 0.08 0.95 0.00 0.00 175.26 175.86 1x51 s VAL 91 N -4.10 0.40 -0.23 1.83 1.01 0.20 -4.85 120.40 114.66 1x51 s VAL 91 Ca 0.38 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1x51 s VAL 91 Cb 0.06 -0.57 0.07 0.00 0.00 0.00 0.00 36.38 35.94 1x51 s VAL 91 CO 0.13 0.24 0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1x51 s VAL 92 N 1.96 0.58 -0.25 2.92 1.01 -1.26 0.36 120.40 125.72 1x51 s VAL 92 Ca 0.05 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1x51 s VAL 92 Cb -0.12 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1x51 s VAL 92 CO -0.05 -0.34 0.20 -2.28 0.00 0.00 0.00 175.10 172.62 1x51 s HIS 93 N 1.81 3.29 -0.44 5.22 2.46 -1.23 -4.99 115.29 121.42 1x51 s HIS 93 Ca 0.02 0.25 -0.20 0.00 0.47 0.00 0.00 55.06 55.59 1x51 s HIS 93 Cb -0.17 -2.34 0.03 0.00 -0.13 0.00 0.00 32.58 29.97 1x51 s HIS 93 CO -0.14 -0.01 0.63 0.99 -2.47 0.00 0.00 174.74 173.74 1x51 s THR 94 N 1.31 4.85 0.55 0.89 2.01 -1.26 -2.79 115.64 121.20 1x51 s THR 94 Ca 0.09 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 1x51 s THR 94 Cb -0.14 -4.20 0.12 0.00 0.01 0.00 0.00 72.50 68.29 1x51 s THR 94 CO 0.07 -0.61 0.75 0.49 -0.69 0.00 0.00 174.62 174.63 1x51 n PHE 95 N 6.21 -3.74 0.00 4.92 3.72 0.11 -4.99 117.46 123.68 1x51 n PHE 95 Ca -0.02 -0.82 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 1x51 n PHE 95 Cb 0.48 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 1x51 n PHE 95 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x51 n SER 96 N -3.35 0.00 -0.65 4.37 2.88 -1.26 -3.80 113.62 111.82 1x51 n SER 96 Ca 0.10 0.85 0.05 0.00 -1.33 0.00 0.00 58.87 58.54 1x51 n SER 96 Cb 0.35 -0.35 0.20 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.99 0.18 -3.92 0.66 1.44 -1.26 -5.02 115.22 105.32 1x51 n HIS 97 Ca 0.00 -1.47 -0.10 0.00 -2.01 0.00 0.00 57.72 54.14 1x51 n HIS 97 Cb 0.00 -0.28 -0.10 0.00 0.12 0.00 0.00 29.99 29.73 1x51 n HIS 97 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1x51 s ILE 98 N -3.21 0.09 -0.09 0.61 1.01 -1.25 -4.50 121.20 113.87 1x51 s ILE 98 Ca 0.39 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 1x51 s ILE 98 Cb 0.37 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 42.52 1x51 s ILE 98 CO -0.05 -0.42 -0.05 -0.75 0.00 0.00 0.00 174.94 173.67 1x51 s LYS 99 N -1.37 1.15 0.15 2.79 2.20 -1.06 0.06 119.74 123.67 1x51 s LYS 99 Ca -0.15 -0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 1x51 s LYS 99 Cb -0.08 -1.29 -0.04 0.00 -1.51 0.00 0.00 37.83 34.91 1x51 s LYS 99 CO 0.00 -0.25 0.10 -0.51 -0.36 0.00 0.00 175.35 174.34 1x51 s LEU 100 N 1.67 3.71 -0.26 5.43 2.01 -1.12 -3.47 118.68 126.65 1x51 s LEU 100 Ca 0.02 -0.16 -0.02 0.00 0.01 0.00 0.00 54.13 53.98 1x51 s LEU 100 Cb -0.13 -2.34 0.08 0.00 0.01 0.00 0.00 46.19 43.81 1x51 s LEU 100 CO -0.06 0.09 0.08 -0.89 1.01 0.00 0.00 176.35 176.58 1x51 s THR 101 N -1.69 0.50 -0.12 5.49 2.01 -0.76 -3.52 115.64 117.55 1x51 s THR 101 Ca 0.30 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 1x51 s THR 101 Cb -0.10 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1x51 s THR 101 CO 0.22 -0.51 0.02 -0.31 -0.69 0.00 0.00 174.62 173.36 1x51 s TYR 102 N 1.83 3.21 -0.32 4.92 1.51 0.16 -0.85 117.35 127.80 1x51 s TYR 102 Ca 0.05 0.14 -0.10 0.00 -1.01 0.00 0.00 57.07 56.15 1x51 s TYR 102 Cb -0.17 -1.89 -0.00 0.00 -0.11 0.00 0.00 41.96 39.79 1x51 s TYR 102 CO -0.21 0.36 0.17 -0.65 -1.11 0.00 0.00 175.55 174.10 1x51 s GLN 103 N -0.46 3.28 0.00 -0.62 -1.52 -0.90 -0.63 119.66 118.82 1x51 s GLN 103 Ca 0.09 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.44 1x51 s GLN 103 Cb -0.12 -3.60 -0.05 0.00 -0.22 0.00 0.00 33.01 29.02 1x51 s GLN 103 CO 0.02 -0.45 1.30 0.08 -0.25 0.00 0.00 175.29 175.98 1x51 s VAL 104 N 1.61 3.92 -0.13 1.09 1.01 -1.21 -2.49 120.40 124.21 1x51 s VAL 104 Ca 0.04 1.31 -0.04 0.00 0.00 0.00 0.00 61.98 63.30 1x51 s VAL 104 Cb -0.17 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1x51 s VAL 104 CO 0.07 0.02 0.08 -0.31 0.00 0.00 0.00 175.10 174.95 1x51 s TYR 105 N 2.01 0.22 0.23 5.22 2.02 -1.04 -2.83 117.35 123.19 1x51 s TYR 105 Ca 0.60 -0.18 -0.19 0.00 -0.37 0.00 0.00 57.07 56.94 1x51 s TYR 105 Cb -0.29 -0.66 -0.08 0.00 -0.40 0.00 0.00 41.96 40.53 1x51 s TYR 105 CO 0.26 -0.42 0.71 0.20 -1.57 0.00 0.00 175.55 174.73 1x51 s GLY 106 N 2.13 2.57 -0.27 0.71 0.00 -0.93 -0.02 107.32 111.50 1x51 s GLY 106 Ca 0.03 0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.82 1x51 s GLY 106 CO -0.07 0.46 0.54 -2.27 0.00 0.00 0.00 173.10 171.76 1x51 s LEU 107 N -2.11 -1.04 0.09 0.66 1.98 0.08 -2.67 118.68 115.66 1x51 s LEU 107 Ca 0.44 1.00 0.05 0.00 -2.89 0.00 0.00 54.13 52.73 1x51 s LEU 107 Cb -0.16 1.87 -0.03 0.00 0.66 0.00 0.00 46.19 48.53 1x51 s LEU 107 CO 0.20 -0.25 -0.12 0.00 -1.89 0.00 0.00 176.35 174.29 1x51 s ALA 108 N 2.77 1.20 -0.45 5.97 0.00 -1.26 -1.75 121.76 128.24 1x51 s ALA 108 Ca 0.07 -1.13 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 1x51 s ALA 108 Cb -0.14 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1x51 s ALA 108 CO -0.18 0.07 0.51 -0.51 0.00 0.00 0.00 175.76 175.65 1x51 s LEU 109 N -2.16 4.92 0.41 0.00 1.43 -0.99 -4.93 118.68 117.35 1x51 s LEU 109 Ca 0.03 -0.76 0.20 0.00 -1.03 0.00 0.00 54.13 52.56 1x51 s LEU 109 Cb -0.06 -2.43 1.13 0.00 0.03 0.00 0.00 46.19 44.87 1x51 s LEU 109 CO 0.02 -0.70 1.77 -0.08 0.23 0.00 0.00 176.35 177.59 1x51 h GLU 110 N 8.82 0.35 0.00 1.70 4.22 -2.00 -3.40 114.58 124.28 1x51 h GLU 110 Ca -0.27 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1x51 h GLU 110 Cb 1.10 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1x51 h GLU 110 CO 0.86 0.23 0.00 0.41 -2.18 0.00 0.00 179.01 178.34 1x51 n GLY 111 N -1.49 0.00 0.01 1.92 0.00 -1.26 -4.97 105.19 99.40 1x51 n GLY 111 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 1x51 n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x51 h GLN 112 N 0.00 0.00 -2.68 1.61 1.08 -2.00 -3.49 115.11 109.63 1x51 h GLN 112 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1x51 h GLN 112 Cb 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.21 1x51 h GLN 112 CO 0.00 0.00 -0.17 0.95 -0.95 0.00 0.00 178.83 178.66 1x51 s THR 113 N -1.13 0.01 1.03 -0.54 -4.23 -1.26 -5.17 115.64 104.35 1x51 s THR 113 Ca -0.00 -0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.27 1x51 s THR 113 Cb 0.00 -0.66 0.21 0.00 1.34 0.00 0.00 72.50 73.39 1x51 s THR 113 CO 0.00 -0.06 1.09 -2.16 -0.54 0.00 0.00 174.62 172.96 1x51 s PRO 114 N -0.25 0.17 -0.23 3.99 0.04 -1.26 -5.02 135.00 132.44 1x51 s PRO 114 Ca -0.04 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.44 1x51 s PRO 114 Cb -0.03 -1.71 -0.15 0.00 0.04 0.00 0.00 34.50 32.65 1x51 s PRO 114 CO 0.02 -2.89 -0.20 1.55 0.04 0.00 0.00 177.00 175.52 1x51 n VAL 115 N -4.27 1.29 -1.87 -0.36 3.14 -1.26 -4.95 118.33 110.05 1x51 n VAL 115 Ca 0.06 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1x51 n VAL 115 Cb 0.58 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.05 1x51 n VAL 115 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1x51 n THR 116 N -3.17 0.00 -3.91 1.55 -2.24 -1.26 -4.83 114.28 100.42 1x51 n THR 116 Ca -0.40 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.18 1x51 n THR 116 Cb 0.92 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.55 0.28 -0.30 4.28 2.01 -1.26 -5.12 115.64 113.98 1x51 s THR 117 Ca 0.00 0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.96 1x51 s THR 117 Cb 0.00 -0.40 0.15 0.00 0.01 0.00 0.00 72.50 72.26 1x51 s THR 117 CO 0.00 0.20 0.84 0.54 -0.69 0.00 0.00 174.62 175.51 1x51 s VAL 118 N 1.38 -0.71 1.02 3.82 0.11 -1.25 -4.10 120.40 120.66 1x51 s VAL 118 Ca -0.04 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 1x51 s VAL 118 Cb -0.13 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 33.92 1x51 s VAL 118 CO -0.02 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.68 1x51 s PRO 119 N 2.66 0.27 0.00 1.54 0.04 -1.26 -4.89 135.00 133.35 1x51 s PRO 119 Ca -0.03 0.47 0.11 0.00 0.04 0.00 0.00 61.00 61.59 1x51 s PRO 119 Cb -0.09 -1.72 0.65 0.00 0.04 0.00 0.00 34.50 33.38 1x51 s PRO 119 CO -0.18 -2.83 1.08 -0.35 0.04 0.00 0.00 177.00 174.76 1x51 n PRO 120 N -4.24 0.49 -0.07 0.56 -0.04 -1.26 -2.10 135.00 128.34 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 -1.35 0.11 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.90 3.41 0.55 0.00 -1.26 -4.99 105.19 103.78 1x51 n GLY 121 Ca 0.08 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.34 2.19 -0.16 4.61 0.00 -0.89 -2.88 121.76 123.27 1x51 s ALA 122 Ca 0.24 -1.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.12 1x51 s ALA 122 Cb 0.16 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.94 1x51 s ALA 122 CO 0.23 -0.29 0.41 -0.98 0.00 0.00 0.00 175.76 175.13 1x51 s ARG 123 N -3.88 0.43 -0.38 0.00 1.70 0.19 -4.84 118.95 112.17 1x51 s ARG 123 Ca 0.34 0.68 -0.13 0.00 -0.47 0.00 0.00 55.73 56.16 1x51 s ARG 123 Cb 0.08 0.10 0.02 0.00 -0.57 0.00 0.00 34.95 34.57 1x51 s ARG 123 CO 0.14 -0.11 0.24 -1.58 -1.08 0.00 0.00 175.30 172.91 1x51 s TRP 124 N 0.82 3.24 0.34 5.89 0.52 -1.26 0.34 118.94 128.83 1x51 s TRP 124 Ca -0.05 -0.71 0.05 0.00 0.02 0.00 0.00 56.10 55.41 1x51 s TRP 124 Cb -0.06 -2.50 -0.07 0.00 -1.15 0.00 0.00 33.47 29.70 1x51 s TRP 124 CO -0.06 -0.58 0.03 -0.48 0.02 0.00 0.00 176.95 175.87 1x51 s LEU 125 N 1.63 2.41 0.80 2.99 0.05 -0.26 -4.97 118.68 121.33 1x51 s LEU 125 Ca 0.04 -1.35 -0.08 0.00 0.05 0.00 0.00 54.13 52.79 1x51 s LEU 125 Cb -0.19 -0.56 0.13 0.00 -2.05 0.00 0.00 46.19 43.52 1x51 s LEU 125 CO 0.08 -0.53 1.12 0.42 -0.55 0.00 0.00 176.35 176.89 1x51 s THR 126 N -3.10 2.13 0.21 5.48 -4.23 -1.26 0.60 115.64 115.47 1x51 s THR 126 Ca 0.35 -0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.49 1x51 s THR 126 Cb 0.08 -2.86 0.15 0.00 1.34 0.00 0.00 72.50 71.22 1x51 s THR 126 CO 0.16 0.00 1.82 1.56 -0.54 0.00 0.00 174.62 177.62 1x51 h GLN 127 N -0.94 1.07 0.00 3.99 7.50 -1.93 -1.51 115.11 123.29 1x51 h GLN 127 Ca -0.42 -0.13 -0.06 0.00 0.50 0.00 0.00 58.65 58.54 1x51 h GLN 127 Cb 1.27 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.59 1x51 h GLN 127 CO 0.46 0.80 -0.30 1.05 -1.50 0.00 0.00 178.83 179.34 1x51 h GLU 128 N 1.06 0.00 -0.16 1.46 4.11 -1.95 -3.14 114.58 115.96 1x51 h GLU 128 Ca 0.27 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.48 1x51 h GLU 128 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1x51 h GLU 128 CO -0.04 0.30 -0.75 0.93 0.07 0.00 0.00 179.01 179.52 1x51 h GLU 129 N 0.00 0.78 -0.18 1.06 5.08 -1.75 -3.28 114.58 116.30 1x51 h GLU 129 Ca -0.00 -0.62 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 1x51 h GLU 129 Cb 0.98 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1x51 h GLU 129 CO 0.04 1.23 0.07 0.35 -1.00 0.00 0.00 179.01 179.70 1x51 h PHE 130 N 0.54 0.26 -0.51 4.33 3.04 -1.28 -1.95 116.94 121.37 1x51 h PHE 130 Ca -0.05 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.94 1x51 h PHE 130 Cb 1.38 -0.08 -0.08 0.00 2.56 0.00 0.00 35.95 39.73 1x51 h PHE 130 CO 0.08 0.31 -0.45 0.45 -2.02 0.00 0.00 178.31 176.68 1x51 h HIS 131 N 0.14 -1.41 0.00 0.41 3.86 -1.60 0.34 115.15 116.89 1x51 h HIS 131 Ca 0.06 0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1x51 h HIS 131 Cb 0.16 0.68 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 1x51 h HIS 131 CO -0.02 -0.35 -0.08 1.79 0.86 0.00 0.00 177.93 180.14 1x51 h THR 132 N -0.19 0.96 -3.80 2.45 1.35 -1.61 -3.44 112.91 108.63 1x51 h THR 132 Ca 0.08 -0.28 -0.56 0.00 -0.55 0.00 0.00 66.41 65.11 1x51 h THR 132 Cb 0.41 1.16 0.17 0.00 -1.73 0.00 0.00 68.15 68.16 1x51 h THR 132 CO -0.58 0.08 0.15 0.00 -0.25 0.00 0.00 175.52 174.92 1x51 n ALA 133 N -2.48 -0.06 -2.49 6.62 0.00 0.12 -4.88 120.51 117.33 1x51 n ALA 133 Ca -0.03 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1x51 n ALA 133 Cb 0.16 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 1x51 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x51 s ALA 134 N -1.76 2.68 0.07 0.00 0.00 -1.26 -4.98 121.76 116.51 1x51 s ALA 134 Ca 0.74 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 51.48 1x51 s ALA 134 Cb -0.35 -4.27 -0.03 0.00 0.00 0.00 0.00 23.12 18.47 1x51 s ALA 134 CO 0.49 -3.37 -0.19 0.08 0.00 0.00 0.00 175.76 172.77 1x51 s VAL 135 N 6.15 1.50 0.30 0.00 1.01 -1.26 -2.46 120.40 125.64 1x51 s VAL 135 Ca 0.39 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1x51 s VAL 135 Cb -0.08 -1.35 -0.10 0.00 0.00 0.00 0.00 36.38 34.85 1x51 s VAL 135 CO 0.15 0.01 1.27 -0.55 0.00 0.00 0.00 175.10 175.99 1x51 s SER 136 N -1.51 6.89 0.05 3.32 0.15 -1.26 -4.78 113.70 116.56 1x51 s SER 136 Ca 0.05 2.56 -0.09 0.00 0.70 0.00 0.00 55.95 59.17 1x51 s SER 136 Cb -0.09 -2.64 -0.02 0.00 -1.71 0.00 0.00 66.02 61.56 1x51 s SER 136 CO 0.03 -0.46 0.85 0.41 1.20 0.00 0.00 173.24 175.27 1x51 n THR 137 N 1.23 -0.20 -0.00 6.45 -1.04 -1.26 -1.30 114.28 118.16 1x51 n THR 137 Ca 0.01 1.31 -0.00 0.00 -2.04 0.00 0.00 64.05 63.33 1x51 n THR 137 Cb 0.42 -1.68 -0.00 0.00 -1.82 0.00 0.00 70.33 67.25 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 -3.02 -0.01 -0.30 2.41 0.00 -1.26 -1.08 120.51 117.25 1x51 n ALA 138 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1x51 n ALA 138 Cb 0.08 0.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.16 -1.09 0.00 2.07 -1.57 0.53 114.93 114.71 1x51 h MET 139 Ca 0.00 0.01 0.36 0.00 -2.07 0.00 0.00 59.70 58.00 1x51 h MET 139 Cb 0.00 0.04 -0.14 0.00 -1.87 0.00 0.00 31.60 29.63 1x51 h MET 139 CO -0.01 -0.11 0.65 0.87 1.07 0.00 0.00 176.91 179.38 1x51 h LYS 140 N -0.17 0.23 -0.21 1.72 1.57 -0.01 1.27 116.57 120.97 1x51 h LYS 140 Ca 0.14 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1x51 h LYS 140 Cb 0.50 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1x51 h LYS 140 CO -0.79 0.15 -0.28 0.87 -0.57 0.00 0.00 179.45 178.82 1x51 h LYS 141 N 0.23 0.41 0.00 3.15 1.57 0.17 -2.38 116.57 119.73 1x51 h LYS 141 Ca 0.76 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 1x51 h LYS 141 Cb 1.95 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.24 1x51 h LYS 141 CO -0.54 0.66 0.00 0.28 -0.57 0.00 0.00 179.45 179.28 1x51 h VAL 142 N 0.36 0.00 0.00 0.50 2.07 0.24 -2.77 116.25 116.65 1x51 h VAL 142 Ca 0.05 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1x51 h VAL 142 Cb 0.69 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1x51 h VAL 142 CO 0.05 0.00 -0.15 0.15 0.02 0.00 0.00 177.57 177.65 1x51 h PHE 143 N 0.00 0.00 0.00 1.57 3.57 -1.16 -3.00 116.94 117.92 1x51 h PHE 143 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1x51 h PHE 143 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1x51 h PHE 143 CO 0.00 0.48 0.20 0.07 -2.23 0.00 0.00 178.31 176.83 1x51 h ARG 144 N -1.00 0.00 0.11 1.11 0.11 -1.44 0.79 114.38 114.07 1x51 h ARG 144 Ca -0.03 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.73 1x51 h ARG 144 Cb 0.51 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 1x51 h ARG 144 CO -0.02 0.00 -1.72 0.28 0.10 0.00 0.00 179.97 178.62 1x51 h VAL 145 N 0.00 0.93 -0.10 0.08 2.07 -1.58 -3.35 116.25 114.30 1x51 h VAL 145 Ca 0.00 -2.62 -0.10 0.00 0.82 0.00 0.00 66.70 64.80 1x51 h VAL 145 Cb 0.39 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1x51 h VAL 145 CO 0.00 0.79 -0.38 0.22 0.02 0.00 0.00 177.57 178.22 1x51 h TYR 146 N 0.06 0.24 -0.53 1.57 3.20 -0.71 -3.14 116.97 117.67 1x51 h TYR 146 Ca -0.31 -0.06 0.11 0.00 3.14 0.00 0.00 58.73 61.60 1x51 h TYR 146 Cb 2.03 -0.06 -0.10 0.00 1.54 0.00 0.00 36.73 40.14 1x51 h TYR 146 CO 0.06 0.57 -0.16 1.96 -1.64 0.00 0.00 178.16 178.95 1x51 h GLN 147 N 0.18 -0.03 -5.20 1.82 1.08 -1.54 -3.36 115.11 108.06 1x51 h GLN 147 Ca 0.02 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.58 1x51 h GLN 147 Cb 0.76 0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 28.05 1x51 h GLN 147 CO 0.06 -0.02 -0.09 0.20 -0.95 0.00 0.00 178.83 178.03 1x51 s GLY 148 N -3.28 1.84 -0.09 3.46 0.00 -1.19 -4.96 107.32 103.09 1x51 s GLY 148 Ca -0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 1x51 s GLY 148 CO 0.72 1.21 -0.05 1.46 0.00 0.00 0.00 173.10 176.44 1x51 h GLN 149 N 8.41 0.00 -7.03 2.90 4.20 -1.82 -3.47 115.11 118.30 1x51 h GLN 149 Ca -0.28 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.91 1x51 h GLN 149 Cb 1.13 0.00 0.08 0.00 0.30 0.00 0.00 27.48 29.00 1x51 h GLN 149 CO 0.75 0.00 0.51 -1.12 -0.67 0.00 0.00 178.83 178.30 1x51 s SER 150 N -5.20 5.85 0.00 1.46 0.01 -1.26 -4.30 113.70 110.27 1x51 s SER 150 Ca -0.04 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.63 1x51 s SER 150 Cb 0.01 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1x51 s SER 150 CO 0.07 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1x51 n GLY 151 N 0.50 1.26 0.24 3.44 0.00 -1.26 -4.81 105.19 104.55 1x51 n GLY 151 Ca 0.09 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.79 1x51 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x51 h PRO 152 N 0.00 0.00 0.34 1.61 0.13 -1.93 -3.22 132.00 128.94 1x51 h PRO 152 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1x51 h PRO 152 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1x51 h PRO 152 CO 0.00 0.00 -0.22 0.77 -0.23 0.00 0.00 178.00 178.32 1x51 h SER 153 N 0.00 -0.55 -3.63 1.44 0.02 -1.88 -3.43 113.55 105.51 1x51 h SER 153 Ca 0.00 0.04 -0.51 0.00 -0.84 0.00 0.00 61.79 60.47 1x51 h SER 153 Cb 0.46 0.17 -0.32 0.00 0.14 0.00 0.00 62.40 62.84 1x51 h SER 153 CO 0.00 -0.35 -0.82 -0.55 -1.14 0.00 0.00 176.83 173.97 1x51 s SER 154 N -4.72 1.78 0.00 3.07 0.15 -1.21 -5.08 113.70 107.68 1x51 s SER 154 Ca -0.16 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1x51 s SER 154 Cb 0.05 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1x51 s SER 154 CO 0.64 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.76