#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5n s SER 2 N 0.00 6.20 -0.33 1.61 0.01 -1.26 -4.89 113.70 115.04 1x5n s SER 2 Ca 0.00 -1.01 -0.03 0.00 1.31 0.00 0.00 55.95 56.22 1x5n s SER 2 Cb 0.00 -2.38 0.19 0.00 0.21 0.00 0.00 66.02 64.04 1x5n s SER 2 CO 0.00 -1.29 0.88 -0.55 0.41 0.00 0.00 173.24 172.69 1x5n s SER 3 N 3.47 -0.85 -0.06 2.44 0.15 -1.26 -5.15 113.70 112.45 1x5n s SER 3 Ca 0.20 -0.20 -0.20 0.00 0.70 0.00 0.00 55.95 56.45 1x5n s SER 3 Cb -0.18 1.27 -0.05 0.00 -1.71 0.00 0.00 66.02 65.35 1x5n s SER 3 CO 0.10 -0.12 0.57 -0.83 1.20 0.00 0.00 173.24 174.17 1x5n s GLY 4 N 2.34 2.54 0.58 9.45 0.00 -1.26 -5.07 107.32 115.90 1x5n s GLY 4 Ca 0.18 -0.03 -0.09 0.00 0.00 0.00 0.00 44.72 44.78 1x5n s GLY 4 CO -0.17 0.84 0.96 -0.56 0.00 0.00 0.00 173.10 174.17 1x5n s SER 5 N 0.29 6.20 -0.06 1.64 0.01 -1.26 -4.99 113.70 115.52 1x5n s SER 5 Ca 0.31 1.25 0.20 0.00 1.31 0.00 0.00 55.95 59.02 1x5n s SER 5 Cb -0.17 -2.37 -0.27 0.00 0.21 0.00 0.00 66.02 63.42 1x5n s SER 5 CO 0.15 -0.81 0.42 -1.20 0.41 0.00 0.00 173.24 172.21 1x5n n SER 6 N -2.62 0.13 0.00 2.44 7.64 -1.26 -5.09 113.62 114.86 1x5n n SER 6 Ca 0.04 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1x5n n SER 6 Cb 0.55 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 65.16 1x5n n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5n n GLY 7 N 1.42 0.16 3.36 0.23 0.00 -1.26 -5.05 105.19 104.06 1x5n n GLY 7 Ca -0.13 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1x5n n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5n s SER 8 N -0.98 3.43 -0.07 1.61 0.15 -1.26 -5.05 113.70 111.53 1x5n s SER 8 Ca 0.00 -0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.09 1x5n s SER 8 Cb 0.00 -0.63 -0.14 0.00 -1.71 0.00 0.00 66.02 63.54 1x5n s SER 8 CO 0.00 0.31 0.70 1.55 1.20 0.00 0.00 173.24 177.00 1x5n h PRO 9 N 5.56 -0.17 0.00 5.44 0.13 -2.09 -3.47 132.00 137.41 1x5n h PRO 9 Ca -0.42 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1x5n h PRO 9 Cb 1.14 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x5n h PRO 9 CO 0.48 0.26 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 1x5n n GLY 10 N 0.92 1.09 1.71 1.56 0.00 -1.26 -4.94 105.19 104.27 1x5n n GLY 10 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1x5n n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5n n ASN 11 N 7.57 -8.85 0.00 1.61 2.85 -1.26 -5.09 115.26 112.08 1x5n n ASN 11 Ca 0.00 1.24 0.00 0.00 -0.11 0.00 0.00 54.58 55.71 1x5n n ASN 11 Cb 0.00 -4.55 0.00 0.00 1.24 0.00 0.00 39.78 36.47 1x5n n ASN 11 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1x5n n ARG 12 N 0.41 0.00 -2.67 1.20 1.85 -1.26 -5.09 116.66 111.10 1x5n n ARG 12 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 1x5n n ARG 12 Cb 0.00 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.49 1x5n n ARG 12 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1x5n n GLU 13 N -0.05 0.29 0.14 2.89 0.28 -1.26 -5.03 120.64 117.90 1x5n n GLU 13 Ca 0.00 -0.88 0.00 0.00 -0.16 0.00 0.00 57.16 56.12 1x5n n GLU 13 Cb 0.00 -0.20 0.00 0.00 1.43 0.00 0.00 31.44 32.67 1x5n n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1x5n n ASN 14 N 0.17 -2.36 -4.94 -1.84 2.85 -1.26 -5.15 115.26 102.73 1x5n n ASN 14 Ca -0.10 0.54 -0.19 0.00 -0.11 0.00 0.00 54.58 54.72 1x5n n ASN 14 Cb 0.73 2.38 -0.01 0.00 1.24 0.00 0.00 39.78 44.12 1x5n n ASN 14 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1x5n s LYS 15 N -1.59 2.67 -0.09 1.20 3.01 -1.26 -4.62 119.74 119.07 1x5n s LYS 15 Ca 0.00 -1.40 -0.08 0.00 -1.01 0.00 0.00 55.97 53.48 1x5n s LYS 15 Cb 0.00 -2.56 0.01 0.00 -1.01 0.00 0.00 37.83 34.27 1x5n s LYS 15 CO 0.00 -0.24 0.13 0.39 0.51 0.00 0.00 175.35 176.14 1x5n n GLU 16 N -1.70 -0.55 -4.51 1.68 1.02 -1.24 -4.88 120.64 110.45 1x5n n GLU 16 Ca 0.06 0.84 -0.33 0.00 -0.02 0.00 0.00 57.16 57.71 1x5n n GLU 16 Cb 0.60 -1.10 -0.11 0.00 -0.02 0.00 0.00 31.44 30.82 1x5n n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1x5n s LYS 17 N -1.21 2.61 -0.11 3.49 -2.85 0.19 -4.95 119.74 116.92 1x5n s LYS 17 Ca 0.07 -0.67 -0.14 0.00 -1.00 0.00 0.00 55.97 54.23 1x5n s LYS 17 Cb -0.01 -2.53 -0.05 0.00 -2.06 0.00 0.00 37.83 33.19 1x5n s LYS 17 CO 0.17 0.62 0.34 0.21 0.10 0.00 0.00 175.35 176.79 1x5n s LYS 18 N -1.23 4.10 0.13 1.78 2.20 -1.26 -1.67 119.74 123.79 1x5n s LYS 18 Ca 0.16 0.21 0.04 0.00 -0.36 0.00 0.00 55.97 56.02 1x5n s LYS 18 Cb -0.11 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1x5n s LYS 18 CO 0.06 0.40 -0.10 0.14 -0.36 0.00 0.00 175.35 175.49 1x5n s VAL 19 N -0.07 1.06 -0.15 4.02 -7.23 0.15 -5.01 120.40 113.17 1x5n s VAL 19 Ca 0.20 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1x5n s VAL 19 Cb -0.14 -1.76 0.05 0.00 0.56 0.00 0.00 36.38 35.09 1x5n s VAL 19 CO 0.07 -0.74 0.03 0.12 -0.31 0.00 0.00 175.10 174.27 1x5n s PHE 20 N -3.25 0.79 -0.55 2.82 2.19 -1.26 -0.35 117.98 118.36 1x5n s PHE 20 Ca 0.14 -0.55 -0.18 0.00 0.33 0.00 0.00 56.93 56.67 1x5n s PHE 20 Cb 0.02 -0.90 0.09 0.00 -1.31 0.00 0.00 43.02 40.92 1x5n s PHE 20 CO -0.00 -0.50 0.64 0.42 1.83 0.00 0.00 175.22 177.60 1x5n s ILE 21 N 1.94 4.90 -0.39 3.12 1.09 0.59 -4.83 121.20 127.62 1x5n s ILE 21 Ca 0.01 -0.84 -0.23 0.00 -1.10 0.00 0.00 60.65 58.49 1x5n s ILE 21 Cb -0.15 -4.38 0.01 0.00 -1.06 0.00 0.00 42.46 36.88 1x5n s ILE 21 CO -0.07 -0.94 0.76 -0.55 -0.10 0.00 0.00 174.94 174.04 1x5n s SER 22 N 3.19 6.49 -1.26 3.58 0.15 -1.26 -1.87 113.70 122.72 1x5n s SER 22 Ca 0.12 0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.86 1x5n s SER 22 Cb -0.23 -2.38 0.18 0.00 -1.71 0.00 0.00 66.02 61.88 1x5n s SER 22 CO 0.08 -0.77 1.87 0.18 1.20 0.00 0.00 173.24 175.81 1x5n n LEU 23 N 6.45 6.76 -3.16 3.45 4.32 -1.09 -4.74 117.00 129.00 1x5n n LEU 23 Ca 0.02 -4.74 -0.26 0.00 -0.02 0.00 0.00 56.01 51.01 1x5n n LEU 23 Cb 0.48 -1.44 -0.06 0.00 -1.62 0.00 0.00 43.42 40.79 1x5n n LEU 23 CO 0.55 1.48 0.05 1.33 -1.22 0.00 0.00 177.39 179.58 1x5n n VAL 24 N 2.92 2.20 -3.55 4.08 0.24 -1.26 -4.74 118.33 118.21 1x5n n VAL 24 Ca 0.40 -5.23 0.00 0.00 -2.04 0.00 0.00 64.34 57.47 1x5n n VAL 24 Cb 0.35 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.14 1x5n n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5n n GLY 25 N 0.32 -0.76 1.12 7.63 0.00 -1.26 -4.95 105.19 107.29 1x5n n GLY 25 Ca 0.29 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.44 1x5n n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5n n SER 26 N 0.50 3.24 0.00 1.61 2.88 -1.26 -4.44 113.62 116.15 1x5n n SER 26 Ca 0.00 -2.29 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 1x5n n SER 26 Cb 0.00 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1x5n n SER 26 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x5n n ARG 27 N 0.63 0.00 -3.31 -1.46 5.12 -1.26 -4.98 116.66 111.40 1x5n n ARG 27 Ca 0.16 0.17 -0.16 0.00 -1.93 0.00 0.00 57.85 56.09 1x5n n ARG 27 Cb 0.62 -0.75 0.08 0.00 -1.16 0.00 0.00 32.46 31.25 1x5n n ARG 27 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x5n n GLY 28 N 1.87 -0.30 0.98 -0.13 0.00 -1.26 -4.66 105.19 101.69 1x5n n GLY 28 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1x5n n GLY 28 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x5n n LEU 29 N -3.92 -2.42 0.00 0.99 7.94 -1.26 -4.94 117.00 113.38 1x5n n LEU 29 Ca -0.22 1.84 0.00 0.00 -1.11 0.00 0.00 56.01 56.53 1x5n n LEU 29 Cb 0.64 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1x5n n LEU 29 CO 0.55 0.11 0.37 0.61 -1.11 0.00 0.00 177.39 177.93 1x5n n GLY 30 N -0.69 0.77 3.71 -3.96 0.00 -1.26 -4.80 105.19 98.95 1x5n n GLY 30 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1x5n n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5n s SER 32 N -1.32 6.92 0.06 0.00 0.15 0.08 -4.93 113.70 114.66 1x5n s SER 32 Ca 0.18 1.11 0.08 0.00 0.70 0.00 0.00 55.95 58.01 1x5n s SER 32 Cb -0.12 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1x5n s SER 32 CO 0.08 0.27 -0.19 0.27 1.20 0.00 0.00 173.24 174.87 1x5n s ILE 33 N -1.15 2.77 0.26 6.45 -4.36 -1.26 0.86 121.20 124.77 1x5n s ILE 33 Ca 0.28 -1.27 0.01 0.00 -0.26 0.00 0.00 60.65 59.41 1x5n s ILE 33 Cb -0.18 -2.19 -0.05 0.00 1.25 0.00 0.00 42.46 41.30 1x5n s ILE 33 CO 0.17 0.28 0.09 -0.55 0.24 0.00 0.00 174.94 175.17 1x5n s SER 34 N -1.60 1.30 -0.17 4.36 0.15 -0.30 -4.87 113.70 112.57 1x5n s SER 34 Ca 0.15 -1.38 -0.07 0.00 0.70 0.00 0.00 55.95 55.35 1x5n s SER 34 Cb -0.10 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1x5n s SER 34 CO 0.06 -0.72 0.07 -0.94 1.20 0.00 0.00 173.24 172.91 1x5n s SER 35 N -3.33 5.69 0.93 5.45 1.04 -1.26 -2.45 113.70 119.77 1x5n s SER 35 Ca 0.38 0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.80 1x5n s SER 35 Cb 0.08 -1.94 0.15 0.00 0.10 0.00 0.00 66.02 64.41 1x5n s SER 35 CO 0.14 0.21 1.16 -0.83 0.98 0.00 0.00 173.24 174.89 1x5n s GLY 36 N 0.15 1.60 0.70 7.32 0.00 -1.05 -4.94 107.32 111.09 1x5n s GLY 36 Ca 0.05 -0.63 -0.12 0.00 0.00 0.00 0.00 44.72 44.02 1x5n s GLY 36 CO 0.00 -0.03 0.77 -1.55 0.00 0.00 0.00 173.10 172.29 1x5n n PRO 37 N -3.79 -1.58 0.18 2.90 -0.04 -1.11 -4.47 135.00 127.08 1x5n n PRO 37 Ca 0.08 -1.21 0.04 0.00 -0.04 0.00 0.00 63.50 62.36 1x5n n PRO 37 Cb 0.59 -0.96 0.35 0.00 -0.04 0.00 0.00 33.50 33.45 1x5n n PRO 37 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1x5n h ILE 38 N -1.88 1.11 0.01 0.52 2.10 -1.97 0.74 117.51 118.14 1x5n h ILE 38 Ca -0.27 -1.46 -0.21 0.00 1.08 0.00 0.00 64.86 64.00 1x5n h ILE 38 Cb 0.78 1.83 -0.02 0.00 -1.09 0.00 0.00 36.82 38.31 1x5n h ILE 38 CO 0.18 0.39 -0.98 0.06 -1.08 0.00 0.00 178.15 176.73 1x5n h GLN 39 N 0.00 0.03 -2.03 2.19 3.07 -2.05 -3.36 115.11 112.96 1x5n h GLN 39 Ca -0.00 -0.05 -0.51 0.00 0.09 0.00 0.00 58.65 58.18 1x5n h GLN 39 Cb 0.80 0.02 -0.40 0.00 0.08 0.00 0.00 27.48 27.97 1x5n h GLN 39 CO 0.05 0.98 -1.11 1.17 0.09 0.00 0.00 178.83 180.01 1x5n n LYS 40 N -3.43 1.16 -2.53 0.06 4.81 -0.99 -5.11 118.16 112.14 1x5n n LYS 40 Ca -0.01 -3.52 -0.38 0.00 -0.87 0.00 0.00 58.31 53.54 1x5n n LYS 40 Cb 0.91 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 34.25 1x5n n LYS 40 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x5n s PRO 41 N -2.27 4.29 0.00 1.64 0.04 0.25 -2.77 135.00 136.19 1x5n s PRO 41 Ca 0.40 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1x5n s PRO 41 Cb 0.30 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1x5n s PRO 41 CO -0.09 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1x5n n GLY 42 N 0.58 -0.23 3.02 0.56 0.00 -1.26 -4.80 105.19 103.06 1x5n n GLY 42 Ca 0.03 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 1x5n n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5n s ILE 43 N -2.99 2.08 -0.05 -0.61 -1.09 -1.26 -2.54 121.20 114.74 1x5n s ILE 43 Ca 0.00 -1.84 0.05 0.00 -2.23 0.00 0.00 60.65 56.63 1x5n s ILE 43 Cb 0.00 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 1x5n s ILE 43 CO 0.00 -0.27 -0.20 -0.36 -1.23 0.00 0.00 174.94 172.88 1x5n s PHE 44 N 1.08 2.54 0.54 3.97 0.40 -1.03 0.11 117.98 125.60 1x5n s PHE 44 Ca -0.01 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.74 1x5n s PHE 44 Cb -0.19 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 1x5n s PHE 44 CO -0.07 0.01 1.17 0.42 0.70 0.00 0.00 175.22 177.45 1x5n s ILE 45 N -0.51 2.95 -0.08 0.64 1.01 -1.17 -1.15 121.20 122.89 1x5n s ILE 45 Ca 0.07 0.62 0.02 0.00 0.00 0.00 0.00 60.65 61.35 1x5n s ILE 45 Cb -0.11 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 1x5n s ILE 45 CO 0.01 -0.10 -0.05 -1.54 0.00 0.00 0.00 174.94 173.26 1x5n n SER 46 N -1.23 3.41 -3.88 3.58 3.41 0.25 -3.56 113.62 115.59 1x5n n SER 46 Ca 0.11 -0.03 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 1x5n n SER 46 Cb 0.50 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1x5n n SER 46 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1x5n s HIS 47 N -2.16 0.23 0.00 7.33 5.65 -1.20 -4.85 115.29 120.30 1x5n s HIS 47 Ca -0.09 -0.60 -0.00 0.00 0.25 0.00 0.00 55.06 54.62 1x5n s HIS 47 Cb 0.03 0.03 -0.00 0.00 -1.18 0.00 0.00 32.58 31.45 1x5n s HIS 47 CO 0.20 -0.71 0.00 0.08 -0.65 0.00 0.00 174.74 173.66 1x5n s VAL 48 N -3.92 0.01 0.31 0.89 1.01 -1.26 -0.74 120.40 116.70 1x5n s VAL 48 Ca 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1x5n s VAL 48 Cb 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 36.38 36.32 1x5n s VAL 48 CO -0.04 -0.05 0.57 -0.54 0.00 0.00 0.00 175.10 175.04 1x5n s LYS 49 N -0.15 3.60 -0.20 2.72 1.02 -0.81 -4.92 119.74 120.99 1x5n s LYS 49 Ca -0.02 -0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.63 1x5n s LYS 49 Cb -0.01 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1x5n s LYS 49 CO -0.00 0.17 1.30 -1.25 -0.92 0.00 0.00 175.35 174.65 1x5n s PRO 50 N -3.77 4.13 -0.89 -1.68 0.04 -1.26 -2.63 135.00 128.94 1x5n s PRO 50 Ca 0.43 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1x5n s PRO 50 Cb -0.10 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1x5n s PRO 50 CO 0.32 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1x5n n GLY 51 N 3.85 1.02 0.00 0.56 0.00 -1.26 -5.01 105.19 104.35 1x5n n GLY 51 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1x5n n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5n n SER 52 N 0.65 -0.47 0.10 1.61 3.41 -1.08 -4.62 113.62 113.22 1x5n n SER 52 Ca -0.08 -0.42 0.13 0.00 -0.26 0.00 0.00 58.87 58.24 1x5n n SER 52 Cb 0.28 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.65 1x5n n SER 52 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1x5n n LEU 53 N 0.00 0.75 -0.08 1.04 7.94 -1.26 -1.75 117.00 123.65 1x5n n LEU 53 Ca 0.00 0.58 -0.22 0.00 -1.11 0.00 0.00 56.01 55.26 1x5n n LEU 53 Cb 0.00 -0.34 -0.12 0.00 0.53 0.00 0.00 43.42 43.48 1x5n n LEU 53 CO 0.00 -0.19 -0.99 -1.54 -1.11 0.00 0.00 177.39 173.56 1x5n n SER 54 N -2.21 2.01 -0.08 1.96 3.41 -1.26 -4.13 113.62 113.32 1x5n n SER 54 Ca 0.05 0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.74 1x5n n SER 54 Cb 0.41 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 1x5n n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5n h ALA 55 N -0.24 0.32 -1.16 7.33 0.00 -1.74 1.91 119.26 125.67 1x5n h ALA 55 Ca -0.50 -0.18 0.34 0.00 0.00 0.00 0.00 54.91 54.58 1x5n h ALA 55 Cb 1.78 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.37 1x5n h ALA 55 CO -0.11 -0.00 0.75 1.05 0.00 0.00 0.00 179.25 180.94 1x5n h GLU 56 N 0.21 0.24 0.00 0.00 4.11 -1.54 1.16 114.58 118.75 1x5n h GLU 56 Ca 0.07 -0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.30 1x5n h GLU 56 Cb 0.32 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1x5n h GLU 56 CO 0.00 0.16 -1.50 1.33 0.07 0.00 0.00 179.01 179.08 1x5n n VAL 57 N -4.65 1.21 0.00 -1.06 0.24 -0.96 -4.97 118.33 108.14 1x5n n VAL 57 Ca 0.30 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1x5n n VAL 57 Cb 1.13 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1x5n n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5n n GLY 58 N 1.42 1.34 3.79 7.63 0.00 0.40 -5.00 105.19 114.77 1x5n n GLY 58 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1x5n n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5n s LEU 59 N 0.00 4.51 0.21 0.99 1.43 0.61 -4.93 118.68 121.51 1x5n s LEU 59 Ca 0.00 1.59 -0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1x5n s LEU 59 Cb 0.00 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1x5n s LEU 59 CO 0.00 0.15 0.13 -1.61 0.23 0.00 0.00 176.35 175.25 1x5n s GLU 60 N -1.41 1.25 0.24 1.70 2.02 -1.26 -4.29 118.70 116.94 1x5n s GLU 60 Ca 0.38 -1.66 -0.31 0.00 0.02 0.00 0.00 54.97 53.39 1x5n s GLU 60 Cb -0.21 0.17 -0.12 0.00 0.10 0.00 0.00 34.13 34.07 1x5n s GLU 60 CO 0.24 -0.38 1.68 0.42 0.02 0.00 0.00 175.26 177.25 1x5n s ILE 61 N -4.07 2.03 0.00 -1.63 1.01 -1.26 -2.02 121.20 115.26 1x5n s ILE 61 Ca 0.39 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1x5n s ILE 61 Cb 0.07 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1x5n s ILE 61 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1x5n n GLY 62 N 3.40 2.06 3.55 6.18 0.00 -1.23 -4.67 105.19 114.47 1x5n n GLY 62 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1x5n n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5n s ASP 63 N -0.84 4.47 -0.26 1.61 1.01 -0.86 -0.65 116.67 121.15 1x5n s ASP 63 Ca 0.00 0.62 -0.26 0.00 0.71 0.00 0.00 52.55 53.62 1x5n s ASP 63 Cb 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1x5n s ASP 63 CO 0.00 -3.03 0.91 -1.58 0.21 0.00 0.00 175.17 171.68 1x5n s GLN 64 N 8.15 4.15 -0.40 8.23 0.74 -1.26 -3.06 119.66 136.21 1x5n s GLN 64 Ca 0.90 1.01 -0.28 0.00 0.05 0.00 0.00 55.36 57.04 1x5n s GLN 64 Cb -0.15 -3.67 -0.02 0.00 1.10 0.00 0.00 33.01 30.27 1x5n s GLN 64 CO 0.19 -0.63 1.83 0.42 -0.55 0.00 0.00 175.29 176.55 1x5n s ILE 65 N 3.08 3.43 -0.08 -2.34 1.01 0.30 -3.86 121.20 122.74 1x5n s ILE 65 Ca 0.38 0.40 0.21 0.00 0.00 0.00 0.00 60.65 61.65 1x5n s ILE 65 Cb -0.15 -3.70 -0.27 0.00 0.01 0.00 0.00 42.46 38.36 1x5n s ILE 65 CO 0.09 -0.52 0.53 1.33 0.00 0.00 0.00 174.94 176.37 1x5n n VAL 66 N 7.39 0.30 -3.66 2.92 0.24 -0.51 -4.26 118.33 120.75 1x5n n VAL 66 Ca 0.23 -0.56 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 1x5n n VAL 66 Cb 0.48 -0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.65 1x5n n VAL 66 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x5n s GLU 67 N -3.35 0.89 -0.23 7.34 2.12 -1.12 -1.64 118.70 122.71 1x5n s GLU 67 Ca -0.07 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 1x5n s GLU 67 Cb 0.12 0.40 0.12 0.00 0.26 0.00 0.00 34.13 35.04 1x5n s GLU 67 CO 0.88 -0.29 0.38 0.08 -0.54 0.00 0.00 175.26 175.76 1x5n s VAL 68 N -2.06 -0.60 -1.67 3.70 1.01 -0.92 0.15 120.40 120.01 1x5n s VAL 68 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1x5n s VAL 68 Cb -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1x5n s VAL 68 CO 0.01 -0.09 0.00 -3.20 0.00 0.00 0.00 175.10 171.82 1x5n n ASN 69 N 5.37 -5.57 0.00 3.32 2.85 0.57 0.67 115.26 122.47 1x5n n ASN 69 Ca -0.04 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 1x5n n ASN 69 Cb 0.50 -4.49 0.00 0.00 1.24 0.00 0.00 39.78 37.03 1x5n n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5n n GLY 70 N -0.05 0.50 3.81 8.20 0.00 -1.26 -4.90 105.19 111.50 1x5n n GLY 70 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1x5n n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5n s VAL 71 N -2.00 3.94 -0.89 1.61 1.01 0.21 -4.97 120.40 119.32 1x5n s VAL 71 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 1x5n s VAL 71 Cb 0.00 -3.45 0.14 0.00 0.00 0.00 0.00 36.38 33.07 1x5n s VAL 71 CO 0.00 -0.53 1.05 -0.62 0.00 0.00 0.00 175.10 175.00 1x5n s ASP 72 N -2.82 6.61 -0.20 3.32 2.15 -1.26 -2.17 116.67 122.30 1x5n s ASP 72 Ca 0.63 -2.06 0.09 0.00 0.43 0.00 0.00 52.55 51.64 1x5n s ASP 72 Cb -0.15 -2.37 0.57 0.00 -0.30 0.00 0.00 42.92 40.68 1x5n s ASP 72 CO 0.35 -1.01 1.44 0.49 -0.17 0.00 0.00 175.17 176.27 1x5n n PHE 73 N 6.22 1.62 -0.08 -5.34 3.01 -0.65 -4.23 117.46 118.01 1x5n n PHE 73 Ca 0.20 -0.68 -0.11 0.00 1.01 0.00 0.00 57.45 57.87 1x5n n PHE 73 Cb 0.48 -0.46 0.02 0.00 -0.01 0.00 0.00 39.48 39.51 1x5n n PHE 73 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5n h SER 74 N 2.52 0.86 -1.26 4.37 0.87 -1.70 -3.35 113.55 115.86 1x5n h SER 74 Ca 0.08 -0.40 -0.39 0.00 -1.23 0.00 0.00 61.79 59.84 1x5n h SER 74 Cb 1.70 -0.24 -0.40 0.00 -0.44 0.00 0.00 62.40 63.02 1x5n h SER 74 CO 0.43 1.16 -1.19 0.59 -0.53 0.00 0.00 176.83 177.29 1x5n n ASN 75 N -4.04 1.35 -1.95 6.23 3.02 -1.26 -4.34 115.26 114.27 1x5n n ASN 75 Ca -0.02 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.72 1x5n n ASN 75 Cb 0.55 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x5n n LEU 76 N 0.02 0.00 -4.35 3.41 4.77 -1.26 -5.01 117.00 114.58 1x5n n LEU 76 Ca 0.14 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 1x5n n LEU 76 Cb 0.78 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.76 1x5n n LEU 76 CO 0.26 -0.31 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.13 1x5n s ASP 77 N -1.00 1.52 0.00 -1.43 2.15 -1.26 -4.75 116.67 111.91 1x5n s ASP 77 Ca 0.00 -1.36 0.16 0.00 0.43 0.00 0.00 52.55 51.77 1x5n s ASP 77 Cb 0.00 0.09 0.76 0.00 -0.30 0.00 0.00 42.92 43.47 1x5n s ASP 77 CO 0.00 -0.68 1.47 1.57 -0.17 0.00 0.00 175.17 177.36 1x5n n HIS 78 N -0.51 0.00 -0.07 -5.34 -0.00 -1.26 0.93 115.22 108.97 1x5n n HIS 78 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.62 1x5n n HIS 78 Cb 0.66 -0.36 -0.08 0.00 -0.00 0.00 0.00 29.99 30.22 1x5n n HIS 78 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1x5n n LYS 79 N -1.36 1.02 0.11 1.57 5.02 -1.26 -3.90 118.16 119.35 1x5n n LYS 79 Ca 0.06 0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.23 1x5n n LYS 79 Cb 0.15 -1.29 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 1x5n n LYS 79 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x5n h GLU 80 N 0.00 0.34 -0.06 1.97 4.39 -1.87 -0.21 114.58 119.13 1x5n h GLU 80 Ca -0.32 -0.55 -0.18 0.00 0.34 0.00 0.00 59.36 58.65 1x5n h GLU 80 Cb 1.58 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 1x5n h GLU 80 CO -0.03 1.25 -0.73 0.00 -1.16 0.00 0.00 179.01 178.34 1x5n h ALA 81 N 0.52 0.63 0.20 3.43 0.00 0.30 -1.82 119.26 122.53 1x5n h ALA 81 Ca -0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1x5n h ALA 81 Cb 1.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1x5n h ALA 81 CO 0.21 0.78 -0.10 0.28 0.00 0.00 0.00 179.25 180.43 1x5n h VAL 82 N 0.23 0.36 -0.81 0.00 2.07 -1.67 -2.46 116.25 113.97 1x5n h VAL 82 Ca -0.03 -0.97 0.19 0.00 0.82 0.00 0.00 66.70 66.71 1x5n h VAL 82 Cb 1.30 0.63 -0.12 0.00 -1.52 0.00 0.00 31.29 31.58 1x5n h VAL 82 CO 0.12 0.10 0.24 -1.13 0.02 0.00 0.00 177.57 176.92 1x5n h ASN 83 N -1.02 0.08 0.20 0.57 -1.24 -1.12 1.94 115.58 115.01 1x5n h ASN 83 Ca -0.03 0.16 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 1x5n h ASN 83 Cb 0.38 0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.62 1x5n h ASN 83 CO 0.05 -0.05 -0.12 0.58 -1.29 0.00 0.00 177.43 176.59 1x5n h VAL 84 N 0.29 0.83 0.11 2.57 2.07 -1.39 1.57 116.25 122.30 1x5n h VAL 84 Ca 0.48 -0.46 -0.28 0.00 0.82 0.00 0.00 66.70 67.26 1x5n h VAL 84 Cb 0.88 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1x5n h VAL 84 CO -0.55 0.12 -1.34 -0.07 0.02 0.00 0.00 177.57 175.75 1x5n h LEU 85 N 0.00 0.35 -0.01 2.57 3.38 0.31 -3.30 115.31 118.61 1x5n h LEU 85 Ca -0.00 -0.42 -0.24 0.00 0.09 0.00 0.00 57.88 57.30 1x5n h LEU 85 Cb 0.26 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1x5n h LEU 85 CO 0.02 1.34 -1.10 0.11 0.09 0.00 0.00 178.44 178.90 1x5n h LYS 86 N 0.06 0.24 -0.10 1.13 1.57 0.20 -3.36 116.57 116.32 1x5n h LYS 86 Ca -0.17 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1x5n h LYS 86 Cb 1.97 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.39 1x5n h LYS 86 CO 0.18 1.13 -0.06 0.45 -0.57 0.00 0.00 179.45 180.57 1x5n n SER 87 N -3.57 -0.11 -4.65 0.86 2.88 0.53 -4.55 113.62 105.01 1x5n n SER 87 Ca -0.06 0.82 -0.25 0.00 -1.33 0.00 0.00 58.87 58.05 1x5n n SER 87 Cb 0.94 -0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.98 1x5n n SER 87 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5n s SER 88 N -3.32 4.23 -0.05 -3.46 0.15 -1.26 -5.08 113.70 104.91 1x5n s SER 88 Ca -0.01 -0.99 -0.01 0.00 0.70 0.00 0.00 55.95 55.64 1x5n s SER 88 Cb 0.01 -0.54 -0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1x5n s SER 88 CO 0.06 -0.27 0.05 0.03 1.20 0.00 0.00 173.24 174.31 1x5n h ARG 89 N 1.75 -0.03 -6.52 5.44 2.47 -1.82 -3.44 114.38 112.24 1x5n h ARG 89 Ca -0.43 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 57.73 1x5n h ARG 89 Cb 1.25 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 29.51 1x5n h ARG 89 CO 0.67 -0.02 0.87 -1.12 0.56 0.00 0.00 179.97 180.94 1x5n s SER 90 N -4.37 6.74 0.03 7.04 0.01 -1.26 -2.65 113.70 119.24 1x5n s SER 90 Ca -0.00 0.67 0.05 0.00 1.31 0.00 0.00 55.95 57.98 1x5n s SER 90 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1x5n s SER 90 CO 0.01 -1.09 -0.14 -0.76 0.41 0.00 0.00 173.24 171.67 1x5n s LEU 91 N 4.10 2.14 -0.52 2.44 1.43 -0.78 -4.99 118.68 122.50 1x5n s LEU 91 Ca 0.46 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 1x5n s LEU 91 Cb -0.09 -0.63 0.11 0.00 0.03 0.00 0.00 46.19 45.61 1x5n s LEU 91 CO 0.25 0.07 0.46 -0.89 0.23 0.00 0.00 176.35 176.47 1x5n s THR 92 N -0.72 5.18 0.10 5.49 2.01 -1.26 -0.30 115.64 126.14 1x5n s THR 92 Ca 0.02 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.47 1x5n s THR 92 Cb -0.07 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 68.12 1x5n s THR 92 CO 0.01 -0.77 0.57 -0.63 -0.69 0.00 0.00 174.62 173.11 1x5n s ILE 93 N 1.60 4.75 -0.25 1.82 1.01 0.52 0.21 121.20 130.88 1x5n s ILE 93 Ca 0.03 1.14 0.02 0.00 0.00 0.00 0.00 60.65 61.84 1x5n s ILE 93 Cb -0.28 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.39 1x5n s ILE 93 CO 0.04 0.47 -0.08 -0.44 0.00 0.00 0.00 174.94 174.93 1x5n s SER 94 N -1.26 4.14 0.42 3.58 0.01 0.12 0.32 113.70 121.03 1x5n s SER 94 Ca 0.32 -1.29 0.07 0.00 1.31 0.00 0.00 55.95 56.36 1x5n s SER 94 Cb -0.18 -1.36 -0.03 0.00 0.21 0.00 0.00 66.02 64.66 1x5n s SER 94 CO 0.19 -0.22 0.33 0.27 0.41 0.00 0.00 173.24 174.23 1x5n s ILE 95 N 1.25 2.52 -0.38 1.44 -4.36 -0.67 -1.43 121.20 119.58 1x5n s ILE 95 Ca -0.07 -1.44 0.06 0.00 -0.26 0.00 0.00 60.65 58.94 1x5n s ILE 95 Cb -0.19 -2.96 0.57 0.00 1.25 0.00 0.00 42.46 41.12 1x5n s ILE 95 CO -0.06 0.00 1.68 0.52 0.24 0.00 0.00 174.94 177.32 1x5n n VAL 96 N -1.48 2.90 -3.06 8.37 0.31 -1.25 0.57 118.33 124.68 1x5n n VAL 96 Ca 0.02 -2.51 -0.00 0.00 -0.01 0.00 0.00 64.34 61.84 1x5n n VAL 96 Cb 0.63 -0.48 -0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1x5n n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5n n ALA 97 N -1.10 -2.09 -3.56 3.52 0.00 -1.26 -3.48 120.51 112.53 1x5n n ALA 97 Ca 0.47 0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.93 1x5n n ALA 97 Cb 1.26 -0.85 0.05 0.00 0.00 0.00 0.00 19.45 19.92 1x5n n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n n ALA 98 N 1.53 -2.16 -0.16 0.00 0.00 -1.26 -4.91 120.51 113.55 1x5n n ALA 98 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1x5n n ALA 98 Cb 0.32 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.79 1x5n n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n n ALA 99 N -4.05 -0.38 -2.53 0.00 0.00 0.18 -3.65 120.51 110.08 1x5n n ALA 99 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.82 1x5n n ALA 99 Cb 0.66 0.04 0.02 0.00 0.00 0.00 0.00 19.45 20.16 1x5n n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x5n n GLY 100 N -0.93 5.95 0.23 0.00 0.00 -0.66 -4.72 105.19 105.06 1x5n n GLY 100 Ca 0.00 -2.60 0.07 0.00 0.00 0.00 0.00 46.02 43.49 1x5n n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x5n h ARG 101 N 3.73 0.00 0.00 1.61 3.08 -1.70 -0.90 114.38 120.20 1x5n h ARG 101 Ca 0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.53 1x5n h ARG 101 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1x5n h ARG 101 CO 1.17 0.17 -0.01 1.05 -1.07 0.00 0.00 179.97 181.29 1x5n h GLU 102 N 0.00 0.00 0.00 0.04 4.11 -1.90 0.82 114.58 117.66 1x5n h GLU 102 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x5n h GLU 102 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1x5n h GLU 102 CO 0.02 0.01 0.00 -0.07 0.07 0.00 0.00 179.01 179.04 1x5n h LEU 103 N 0.00 0.00 -4.92 3.06 3.38 -1.55 -2.96 115.31 112.32 1x5n h LEU 103 Ca -0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1x5n h LEU 103 Cb 0.12 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.46 1x5n h LEU 103 CO 0.00 0.00 -1.11 0.49 0.09 0.00 0.00 178.44 177.91 1x5n n PHE 104 N -2.53 1.57 -1.84 1.13 3.72 0.28 -4.93 117.46 114.85 1x5n n PHE 104 Ca 0.00 -2.83 -0.35 0.00 -0.05 0.00 0.00 57.45 54.22 1x5n n PHE 104 Cb 0.19 -0.32 -0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1x5n n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x5n n MET 105 N -0.15 3.04 -3.66 -1.08 0.00 -1.12 -4.87 117.12 109.28 1x5n n MET 105 Ca 0.15 -3.19 -0.13 0.00 0.00 0.00 0.00 57.70 54.52 1x5n n MET 105 Cb 0.79 -2.27 -0.08 0.00 0.00 0.00 0.00 33.22 31.66 1x5n n MET 105 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1x5n s THR 106 N -3.63 -0.00 0.26 3.17 -1.32 -1.26 -5.10 115.64 107.76 1x5n s THR 106 Ca 0.53 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.11 1x5n s THR 106 Cb 0.37 -0.89 -0.04 0.00 -1.51 0.00 0.00 72.50 70.43 1x5n s THR 106 CO -0.29 0.00 -0.02 -0.62 -2.21 0.00 0.00 174.62 171.48 1x5n s ASP 107 N 0.43 4.47 -0.28 8.08 2.15 -1.26 -5.13 116.67 125.12 1x5n s ASP 107 Ca -0.01 -0.66 -0.22 0.00 0.43 0.00 0.00 52.55 52.09 1x5n s ASP 107 Cb -0.05 -0.81 0.12 0.00 -0.30 0.00 0.00 42.92 41.89 1x5n s ASP 107 CO -0.01 0.01 0.97 -0.60 -0.17 0.00 0.00 175.17 175.38 1x5n s ARG 108 N -3.59 0.51 1.18 4.34 3.52 -1.26 -5.17 118.95 118.48 1x5n s ARG 108 Ca 0.31 0.69 -0.15 0.00 -0.13 0.00 0.00 55.73 56.45 1x5n s ARG 108 Cb -0.07 0.21 0.28 0.00 -1.56 0.00 0.00 34.95 33.81 1x5n s ARG 108 CO 0.19 -0.07 1.03 -1.12 -0.81 0.00 0.00 175.30 174.52 1x5n s SER 109 N 0.60 0.99 0.01 -2.12 0.01 -1.26 -5.07 113.70 106.86 1x5n s SER 109 Ca -0.01 1.22 -0.28 0.00 1.31 0.00 0.00 55.95 58.20 1x5n s SER 109 Cb -0.05 -1.88 0.09 0.00 0.21 0.00 0.00 66.02 64.40 1x5n s SER 109 CO -0.09 -4.15 0.81 -0.83 0.41 0.00 0.00 173.24 169.39 1x5n s GLY 110 N -2.97 -0.49 0.96 3.44 0.00 -1.26 -5.18 107.32 101.82 1x5n s GLY 110 Ca 0.68 1.04 -0.16 0.00 0.00 0.00 0.00 44.72 46.28 1x5n s GLY 110 CO 0.61 0.44 1.06 -1.55 0.00 0.00 0.00 173.10 173.66 1x5n n PRO 111 N -0.04 -1.99 -3.40 2.90 -0.04 -1.26 -5.10 135.00 126.08 1x5n n PRO 111 Ca -0.12 -1.66 0.02 0.00 -0.04 0.00 0.00 63.50 61.70 1x5n n PRO 111 Cb 0.62 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 1x5n n PRO 111 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5n s SER 112 N -4.66 -0.85 -0.06 3.54 0.01 -1.26 -5.15 113.70 105.26 1x5n s SER 112 Ca 0.64 0.96 -0.14 0.00 1.31 0.00 0.00 55.95 58.71 1x5n s SER 112 Cb -0.04 1.89 -0.05 0.00 0.21 0.00 0.00 66.02 68.03 1x5n s SER 112 CO 0.47 -0.16 0.37 -0.44 0.41 0.00 0.00 173.24 173.88 1x5n s SER 113 N 2.71 6.67 0.00 2.44 0.01 -1.26 -5.39 113.70 118.88 1x5n s SER 113 Ca 0.01 0.80 0.31 0.00 1.31 0.00 0.00 55.95 58.38 1x5n s SER 113 Cb -0.10 -2.22 1.86 0.00 0.21 0.00 0.00 66.02 65.77 1x5n s SER 113 CO -0.18 0.24 2.19 0.61 0.41 0.00 0.00 173.24 176.51