#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 -0.85 0.09 1.61 0.01 -1.26 -5.17 113.70 108.13 1x5n s SER 2 Ca 0.00 0.45 -0.20 0.00 1.31 0.00 0.00 55.95 57.51 1x5n s SER 2 Cb 0.00 1.68 0.05 0.00 0.21 0.00 0.00 66.02 67.96 1x5n s SER 2 CO 0.00 -0.16 0.48 -0.44 0.41 0.00 0.00 173.24 173.53 1x5n s SER 3 N 2.91 -0.37 0.00 2.44 0.01 -1.26 -5.14 113.70 112.30 1x5n s SER 3 Ca 0.10 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1x5n s SER 3 Cb -0.11 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1x5n s SER 3 CO -0.17 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1x5n n GLY 4 N 0.05 3.25 2.70 3.44 0.00 -1.26 -5.12 105.19 108.25 1x5n n GLY 4 Ca -0.17 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 1x5n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5n s SER 5 N 0.00 1.73 -0.09 1.61 1.04 -1.26 -4.98 113.70 111.75 1x5n s SER 5 Ca 0.00 -0.35 0.18 0.00 0.48 0.00 0.00 55.95 56.25 1x5n s SER 5 Cb 0.00 0.13 -0.26 0.00 0.10 0.00 0.00 66.02 65.99 1x5n s SER 5 CO 0.00 -0.33 0.26 -1.20 0.98 0.00 0.00 173.24 172.95 1x5n n SER 6 N 5.30 0.64 0.00 7.02 7.64 -1.26 -5.11 113.62 127.86 1x5n n SER 6 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1x5n n SER 6 Cb 0.49 1.47 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 1.63 1.23 3.09 0.23 0.00 -1.26 -4.97 105.19 105.13 1x5n n GLY 7 Ca -0.14 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 1x5n n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5n s SER 8 N 0.00 4.73 -0.23 1.61 0.01 -1.26 -5.08 113.70 113.48 1x5n s SER 8 Ca 0.00 -1.65 -0.29 0.00 1.31 0.00 0.00 55.95 55.31 1x5n s SER 8 Cb 0.00 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.58 1x5n s SER 8 CO 0.00 -0.30 1.31 -2.16 0.41 0.00 0.00 173.24 172.50 1x5n s PRO 9 N 1.08 4.06 0.56 12.44 0.04 -1.26 -4.79 135.00 147.12 1x5n s PRO 9 Ca -0.01 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1x5n s PRO 9 Cb -0.20 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1x5n s PRO 9 CO -0.05 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1x5n n GLY 10 N 4.02 -1.80 2.09 0.56 0.00 -1.26 -4.99 105.19 103.80 1x5n n GLY 10 Ca 0.15 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.21 -1.59 -3.71 1.61 2.85 -1.26 -5.13 115.26 108.23 1x5n n ASN 11 Ca 0.00 0.43 -0.11 0.00 -0.11 0.00 0.00 54.58 54.79 1x5n n ASN 11 Cb 0.00 1.67 -0.11 0.00 1.24 0.00 0.00 39.78 42.57 1x5n n ASN 11 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1x5n s ARG 12 N -2.00 0.37 -0.01 1.20 0.52 -1.26 -5.16 118.95 112.61 1x5n s ARG 12 Ca 0.00 0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 55.77 1x5n s ARG 12 Cb 0.00 0.02 0.01 0.00 0.52 0.00 0.00 34.95 35.50 1x5n s ARG 12 CO 0.00 -0.13 0.24 -1.21 0.02 0.00 0.00 175.30 174.22 1x5n s GLU 13 N 1.08 0.60 0.00 3.54 2.02 -1.26 -5.01 118.70 119.67 1x5n s GLU 13 Ca -0.07 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1x5n s GLU 13 Cb -0.07 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.42 1x5n s GLU 13 CO -0.09 -0.16 0.00 0.09 0.02 0.00 0.00 175.26 175.12 1x5n n ASN 14 N 1.31 0.00 -4.89 -0.19 4.13 -1.26 -5.14 115.26 109.22 1x5n n ASN 14 Ca -0.22 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.78 1x5n n ASN 14 Cb 0.56 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.88 1x5n n ASN 14 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1x5n s LYS 15 N 0.00 2.08 -0.07 3.52 0.00 -1.26 -4.64 119.74 119.37 1x5n s LYS 15 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 55.97 55.70 1x5n s LYS 15 Cb 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 37.83 35.72 1x5n s LYS 15 CO 0.00 -1.35 0.09 0.39 0.00 0.00 0.00 175.35 174.48 1x5n n GLU 16 N -3.02 -0.55 -4.48 1.78 1.02 -1.25 -4.93 120.64 109.21 1x5n n GLU 16 Ca 0.08 0.89 -0.32 0.00 -0.02 0.00 0.00 57.16 57.80 1x5n n GLU 16 Cb 0.61 -1.21 -0.11 0.00 -0.02 0.00 0.00 31.44 30.71 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 2.53 -0.28 3.49 -2.85 0.12 -4.96 119.74 116.58 1x5n s LYS 17 Ca 0.05 -0.73 -0.13 0.00 -1.00 0.00 0.00 55.97 54.16 1x5n s LYS 17 Cb -0.01 -2.49 -0.04 0.00 -2.06 0.00 0.00 37.83 33.24 1x5n s LYS 17 CO 0.14 0.60 0.29 0.21 0.10 0.00 0.00 175.35 176.68 1x5n s LYS 18 N -1.40 3.94 -0.18 1.78 2.20 -1.26 -1.46 119.74 123.37 1x5n s LYS 18 Ca 0.17 -0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 1x5n s LYS 18 Cb -0.11 -3.67 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1x5n s LYS 18 CO 0.07 -0.26 -0.20 0.14 -0.36 0.00 0.00 175.35 174.74 1x5n s VAL 19 N 1.92 2.06 -0.35 4.02 -7.23 0.27 -4.98 120.40 116.10 1x5n s VAL 19 Ca 0.11 -0.94 -0.15 0.00 -1.81 0.00 0.00 61.98 59.19 1x5n s VAL 19 Cb -0.16 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 1x5n s VAL 19 CO 0.11 0.54 0.34 0.12 -0.31 0.00 0.00 175.10 175.90 1x5n s PHE 20 N 1.25 3.21 -0.22 2.82 2.19 -1.26 0.80 117.98 126.77 1x5n s PHE 20 Ca 0.04 -0.12 -0.08 0.00 0.33 0.00 0.00 56.93 57.09 1x5n s PHE 20 Cb -0.13 -2.65 -0.04 0.00 -1.31 0.00 0.00 43.02 38.89 1x5n s PHE 20 CO -0.12 -0.45 0.10 0.42 1.83 0.00 0.00 175.22 177.00 1x5n s ILE 21 N 1.95 4.88 -0.12 3.12 -1.09 0.58 -4.94 121.20 125.58 1x5n s ILE 21 Ca 0.10 0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 1x5n s ILE 21 Cb -0.17 -3.25 -0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1x5n s ILE 21 CO 0.12 0.39 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.57 1x5n s SER 22 N 0.93 3.40 -1.09 3.58 0.01 -1.25 -0.46 113.70 118.81 1x5n s SER 22 Ca 0.05 -0.49 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1x5n s SER 22 Cb -0.14 -1.49 0.24 0.00 0.21 0.00 0.00 66.02 64.84 1x5n s SER 22 CO 0.03 0.14 2.10 0.18 0.41 0.00 0.00 173.24 176.10 1x5n n LEU 23 N 3.66 7.58 -4.59 2.44 7.99 -0.20 -4.93 117.00 128.95 1x5n n LEU 23 Ca -0.19 -5.10 -0.27 0.00 -0.01 0.00 0.00 56.01 50.45 1x5n n LEU 23 Cb 0.53 -1.23 -0.10 0.00 -0.11 0.00 0.00 43.42 42.50 1x5n n LEU 23 CO 0.29 2.02 -0.33 0.68 -1.51 0.00 0.00 177.39 178.54 1x5n s VAL 24 N -3.13 2.16 0.00 4.08 -7.23 -1.26 -4.86 120.40 110.15 1x5n s VAL 24 Ca 0.46 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1x5n s VAL 24 Cb 0.22 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1x5n s VAL 24 CO -0.14 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1x5n n GLY 25 N -0.90 1.42 3.67 2.32 0.00 -1.26 -4.62 105.19 105.82 1x5n n GLY 25 Ca -0.05 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1x5n n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5n s SER 26 N -4.00 1.78 0.52 1.61 1.04 -1.26 -4.88 113.70 108.51 1x5n s SER 26 Ca 0.00 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1x5n s SER 26 Cb 0.00 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 65.03 1x5n s SER 26 CO 0.00 -3.61 0.00 0.54 0.98 0.00 0.00 173.24 171.15 1x5n n ARG 27 N -4.43 -3.73 -2.71 4.02 1.74 -1.26 -4.97 116.66 105.32 1x5n n ARG 27 Ca 0.11 2.88 -0.02 0.00 -0.77 0.00 0.00 57.85 60.06 1x5n n ARG 27 Cb 0.59 -3.57 0.11 0.00 -1.02 0.00 0.00 32.46 28.57 1x5n n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x5n n GLY 28 N -2.34 1.96 0.52 -0.13 0.00 -1.26 -4.62 105.19 99.32 1x5n n GLY 28 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.28 -0.51 -0.84 0.99 7.94 -1.26 -4.94 117.00 117.11 1x5n n LEU 29 Ca -0.11 0.93 -0.02 0.00 -1.11 0.00 0.00 56.01 55.70 1x5n n LEU 29 Cb 0.86 -0.54 -0.02 0.00 0.53 0.00 0.00 43.42 44.25 1x5n n LEU 29 CO -0.10 -0.38 0.26 0.61 -1.11 0.00 0.00 177.39 176.67 1x5n n GLY 30 N -2.09 0.74 3.74 -3.96 0.00 -1.26 -4.74 105.19 97.62 1x5n n GLY 30 Ca -0.01 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.16 4.08 0.02 0.00 0.15 0.40 -4.94 113.70 110.24 1x5n s SER 32 Ca 0.30 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.73 1x5n s SER 32 Cb -0.09 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 1x5n s SER 32 CO 0.21 0.31 -0.05 0.27 1.20 0.00 0.00 173.24 175.18 1x5n s ILE 33 N -0.84 3.76 0.26 6.45 -4.36 -1.26 0.20 121.20 125.40 1x5n s ILE 33 Ca 0.14 -0.80 0.07 0.00 -0.26 0.00 0.00 60.65 59.80 1x5n s ILE 33 Cb -0.11 -2.67 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 1x5n s ILE 33 CO 0.03 0.35 -0.09 -0.94 0.24 0.00 0.00 174.94 174.53 1x5n s SER 34 N -1.58 2.74 0.03 4.36 1.04 0.22 -4.82 113.70 115.69 1x5n s SER 34 Ca 0.19 -1.14 -0.11 0.00 0.48 0.00 0.00 55.95 55.37 1x5n s SER 34 Cb -0.11 -0.16 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 1x5n s SER 34 CO 0.09 -0.28 0.37 -0.94 0.98 0.00 0.00 173.24 173.46 1x5n s SER 35 N -3.41 6.66 0.36 7.02 1.04 -1.26 -2.40 113.70 121.71 1x5n s SER 35 Ca 0.28 0.79 0.03 0.00 0.48 0.00 0.00 55.95 57.54 1x5n s SER 35 Cb 0.02 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 1x5n s SER 35 CO 0.11 0.25 0.53 -0.83 0.98 0.00 0.00 173.24 174.28 1x5n s GLY 36 N -1.47 1.50 0.00 7.32 0.00 -1.12 -4.97 107.32 108.58 1x5n s GLY 36 Ca 0.28 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1x5n s GLY 36 CO 0.15 -1.12 0.00 -1.55 0.00 0.00 0.00 173.10 170.58 1x5n n PRO 37 N -1.78 0.35 0.08 2.90 -0.04 -1.09 -4.55 135.00 130.87 1x5n n PRO 37 Ca -0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1x5n n PRO 37 Cb 0.58 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.68 1.64 0.00 0.52 6.09 -1.99 0.07 117.51 123.15 1x5n h ILE 38 Ca 0.00 -3.20 -0.12 0.00 -1.37 0.00 0.00 64.86 60.16 1x5n h ILE 38 Cb 0.00 2.78 -0.02 0.00 0.47 0.00 0.00 36.82 40.05 1x5n h ILE 38 CO 0.00 0.92 -0.59 0.06 -3.07 0.00 0.00 178.15 175.47 1x5n h GLN 39 N 0.02 0.00 -2.05 2.19 3.07 -2.06 -3.35 115.11 112.93 1x5n h GLN 39 Ca -0.03 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.20 1x5n h GLN 39 Cb 1.73 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.89 1x5n h GLN 39 CO 0.14 0.59 -1.08 1.17 0.09 0.00 0.00 178.83 179.73 1x5n n LYS 40 N -3.26 1.34 -2.54 0.06 4.81 -1.20 -5.11 118.16 112.26 1x5n n LYS 40 Ca 0.02 -3.63 -0.36 0.00 -0.87 0.00 0.00 58.31 53.47 1x5n n LYS 40 Cb 0.77 -1.75 -0.04 0.00 0.02 0.00 0.00 35.03 34.03 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 -2.45 4.06 0.00 1.64 0.04 0.01 -2.68 135.00 135.62 1x5n s PRO 41 Ca 0.41 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1x5n s PRO 41 Cb 0.31 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1x5n s PRO 41 CO -0.09 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1x5n n GLY 42 N 0.18 0.94 3.28 0.56 0.00 -1.18 -4.83 105.19 104.14 1x5n n GLY 42 Ca 0.06 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.80 2.44 0.00 -0.61 -1.09 -1.25 -2.78 121.20 115.10 1x5n s ILE 43 Ca 0.00 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1x5n s ILE 43 Cb 0.00 -1.96 -0.01 0.00 -1.58 0.00 0.00 42.46 38.91 1x5n s ILE 43 CO 0.00 0.55 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.85 1x5n s PHE 44 N 0.27 0.45 0.47 3.97 0.40 -1.01 0.17 117.98 122.70 1x5n s PHE 44 Ca -0.14 -0.13 -0.23 0.00 -0.60 0.00 0.00 56.93 55.83 1x5n s PHE 44 Cb -0.17 -0.29 -0.07 0.00 0.51 0.00 0.00 43.02 43.01 1x5n s PHE 44 CO 0.07 -0.02 1.19 0.42 0.70 0.00 0.00 175.22 177.58 1x5n s ILE 45 N -0.25 3.00 -0.10 0.64 1.01 -1.13 0.70 121.20 125.07 1x5n s ILE 45 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1x5n s ILE 45 Cb -0.03 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 1x5n s ILE 45 CO -0.00 -0.01 -0.06 -1.54 0.00 0.00 0.00 174.94 173.34 1x5n n SER 46 N -0.52 3.09 -3.69 3.58 3.41 0.52 -3.17 113.62 116.84 1x5n n SER 46 Ca 0.07 -0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 1x5n n SER 46 Cb 0.48 0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.21 -0.12 -0.04 7.33 5.65 -1.21 -4.85 115.29 119.83 1x5n s HIS 47 Ca -0.11 -0.19 -0.01 0.00 0.25 0.00 0.00 55.06 54.99 1x5n s HIS 47 Cb 0.03 0.17 0.03 0.00 -1.18 0.00 0.00 32.58 31.64 1x5n s HIS 47 CO 0.28 -0.64 0.06 0.08 -0.65 0.00 0.00 174.74 173.87 1x5n s VAL 48 N -3.64 -0.10 0.55 0.89 1.01 -1.26 -0.45 120.40 117.40 1x5n s VAL 48 Ca 0.02 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1x5n s VAL 48 Cb 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.21 1x5n s VAL 48 CO -0.11 0.13 1.04 -0.54 0.00 0.00 0.00 175.10 175.62 1x5n s LYS 49 N 1.61 3.55 -0.27 2.72 1.02 0.00 -4.95 119.74 123.42 1x5n s LYS 49 Ca -0.03 1.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.87 1x5n s LYS 49 Cb -0.12 -2.07 -0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1x5n s LYS 49 CO -0.04 -0.62 1.34 -1.25 -0.92 0.00 0.00 175.35 173.86 1x5n s PRO 50 N -3.87 3.94 0.00 -1.68 0.04 -1.26 -2.67 135.00 129.50 1x5n s PRO 50 Ca 0.64 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1x5n s PRO 50 Cb -0.15 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1x5n s PRO 50 CO 0.32 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1x5n n GLY 51 N 4.27 0.67 3.95 0.56 0.00 -1.26 -5.06 105.19 108.32 1x5n n GLY 51 Ca 0.15 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 1x5n n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5n s SER 52 N -2.79 5.23 0.59 1.61 1.04 -1.09 -4.77 113.70 113.51 1x5n s SER 52 Ca 0.00 0.20 0.36 0.00 0.48 0.00 0.00 55.95 56.99 1x5n s SER 52 Cb 0.00 -1.07 1.95 0.00 0.10 0.00 0.00 66.02 67.00 1x5n s SER 52 CO 0.00 -1.22 2.09 0.25 0.98 0.00 0.00 173.24 175.34 1x5n h LEU 53 N -0.10 0.00 0.04 2.42 7.12 -1.90 0.60 115.31 123.49 1x5n h LEU 53 Ca -0.43 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.24 1x5n h LEU 53 Cb 1.29 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.38 1x5n h LEU 53 CO 0.56 0.00 -2.02 -1.54 -0.13 0.00 0.00 178.44 175.31 1x5n n SER 54 N -2.83 1.25 -0.06 1.25 3.41 -1.26 -3.88 113.62 111.50 1x5n n SER 54 Ca -0.02 0.21 -0.15 0.00 -0.26 0.00 0.00 58.87 58.64 1x5n n SER 54 Cb 0.14 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.58 0.35 -0.92 7.33 0.00 -1.00 1.01 119.26 126.61 1x5n h ALA 55 Ca -0.41 -0.50 0.13 0.00 0.00 0.00 0.00 54.91 54.12 1x5n h ALA 55 Cb 2.05 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 1x5n h ALA 55 CO 0.05 0.54 0.59 1.05 0.00 0.00 0.00 179.25 181.48 1x5n h GLU 56 N 0.45 0.77 0.00 0.00 4.11 -0.12 0.24 114.58 120.03 1x5n h GLU 56 Ca -0.01 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 1x5n h GLU 56 Cb 1.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1x5n h GLU 56 CO 0.11 0.51 -0.69 -0.39 0.07 0.00 0.00 179.01 178.62 1x5n h VAL 57 N 0.80 1.06 -0.09 -1.06 -1.51 -1.64 -3.48 116.25 110.32 1x5n h VAL 57 Ca 0.46 -2.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.41 1x5n h VAL 57 Cb 0.62 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.29 1x5n h VAL 57 CO -0.22 0.60 0.00 0.61 -1.23 0.00 0.00 177.57 177.33 1x5n n GLY 58 N 1.27 1.00 3.80 5.19 0.00 0.83 -5.09 105.19 112.19 1x5n n GLY 58 Ca 0.01 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.09 4.26 0.13 0.99 1.43 0.34 -4.98 118.68 120.75 1x5n s LEU 59 Ca 0.00 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 1x5n s LEU 59 Cb 0.00 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 1x5n s LEU 59 CO 0.00 -0.09 -0.02 -1.61 0.23 0.00 0.00 176.35 174.86 1x5n s GLU 60 N -2.28 0.94 0.17 1.70 2.02 -1.26 -4.61 118.70 115.37 1x5n s GLU 60 Ca 0.50 -1.42 -0.33 0.00 0.02 0.00 0.00 54.97 53.74 1x5n s GLU 60 Cb -0.16 -0.15 -0.13 0.00 0.10 0.00 0.00 34.13 33.79 1x5n s GLU 60 CO 0.21 -0.09 1.65 -0.89 0.02 0.00 0.00 175.26 176.15 1x5n n ILE 61 N -0.12 0.03 0.00 -1.63 5.41 -1.26 -2.04 119.36 119.75 1x5n n ILE 61 Ca -0.09 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1x5n n ILE 61 Cb 0.62 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1x5n n ILE 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5n n GLY 62 N 3.66 1.73 3.52 7.39 0.00 -1.19 -4.73 105.19 115.58 1x5n n GLY 62 Ca 0.17 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1x5n n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5n n ASP 63 N 0.05 0.96 -4.70 1.61 8.00 -0.87 -2.04 116.55 119.57 1x5n n ASP 63 Ca 0.00 -0.30 -0.41 0.00 0.71 0.00 0.00 54.79 54.79 1x5n n ASP 63 Cb 0.00 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.12 39.88 1x5n n ASP 63 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1x5n s GLN 64 N 8.52 4.45 -0.50 -1.24 0.74 -1.26 -2.82 119.66 127.55 1x5n s GLN 64 Ca 1.18 1.16 -0.28 0.00 0.05 0.00 0.00 55.36 57.47 1x5n s GLN 64 Cb -0.72 -3.49 0.03 0.00 1.10 0.00 0.00 33.01 29.93 1x5n s GLN 64 CO 0.38 -0.10 1.13 0.42 -0.55 0.00 0.00 175.29 176.57 1x5n s ILE 65 N 1.30 4.18 -0.12 -2.34 1.01 0.46 -3.52 121.20 122.17 1x5n s ILE 65 Ca 0.44 1.09 0.20 0.00 0.00 0.00 0.00 60.65 62.38 1x5n s ILE 65 Cb -0.19 -4.63 -0.25 0.00 0.01 0.00 0.00 42.46 37.41 1x5n s ILE 65 CO 0.20 -1.09 0.44 1.33 0.00 0.00 0.00 174.94 175.83 1x5n n VAL 66 N 6.77 0.72 -3.70 2.92 0.24 -0.84 -3.89 118.33 120.55 1x5n n VAL 66 Ca 0.11 -0.66 -0.13 0.00 -2.04 0.00 0.00 64.34 61.62 1x5n n VAL 66 Cb 0.49 -0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 32.48 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 -3.06 0.86 -0.23 7.34 2.12 -1.17 -1.77 118.70 122.80 1x5n s GLU 67 Ca -0.07 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 54.84 1x5n s GLU 67 Cb 0.10 0.38 0.12 0.00 0.26 0.00 0.00 34.13 34.99 1x5n s GLU 67 CO 0.86 -0.28 0.41 0.08 -0.54 0.00 0.00 175.26 175.79 1x5n s VAL 68 N -2.35 -0.65 -1.88 3.70 1.01 -0.77 -0.12 120.40 119.34 1x5n s VAL 68 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1x5n s VAL 68 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1x5n s VAL 68 CO -0.02 -0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.85 1x5n n ASN 69 N 5.38 -4.76 0.00 3.32 2.85 0.51 0.13 115.26 122.69 1x5n n ASN 69 Ca -0.06 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1x5n n ASN 69 Cb 0.50 -4.25 0.00 0.00 1.24 0.00 0.00 39.78 37.27 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 -0.37 0.57 3.78 8.20 0.00 -1.26 -4.87 105.19 111.24 1x5n n GLY 70 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.28 3.78 -1.03 1.61 1.01 0.35 -4.96 120.40 118.88 1x5n s VAL 71 Ca 0.00 1.36 -0.19 0.00 0.00 0.00 0.00 61.98 63.14 1x5n s VAL 71 Cb 0.00 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.78 1x5n s VAL 71 CO 0.00 0.00 1.33 -0.62 0.00 0.00 0.00 175.10 175.81 1x5n s ASP 72 N -1.59 6.66 -0.24 3.32 -1.08 -1.26 -1.84 116.67 120.64 1x5n s ASP 72 Ca 0.57 -2.00 -0.01 0.00 -0.52 0.00 0.00 52.55 50.59 1x5n s ASP 72 Cb -0.21 -2.47 0.11 0.00 -1.46 0.00 0.00 42.92 38.89 1x5n s ASP 72 CO 0.27 -1.18 2.22 0.49 0.52 0.00 0.00 175.17 177.48 1x5n n PHE 73 N 7.38 1.08 -0.01 -5.34 3.01 -0.73 -4.41 117.46 118.45 1x5n n PHE 73 Ca 0.31 -1.71 -0.00 0.00 1.01 0.00 0.00 57.45 57.06 1x5n n PHE 73 Cb 0.49 -0.95 -0.00 0.00 -0.01 0.00 0.00 39.48 39.01 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 1.65 -0.01 -1.63 4.37 0.87 -1.80 -3.38 113.55 113.63 1x5n h SER 74 Ca 0.23 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 60.15 1x5n h SER 74 Cb 0.95 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.54 1x5n h SER 74 CO 0.56 0.12 -0.18 -0.46 -0.53 0.00 0.00 176.83 176.35 1x5n n ASN 75 N -2.75 5.60 -2.30 6.23 0.23 -1.26 -3.11 115.26 117.90 1x5n n ASN 75 Ca -0.00 -3.76 0.00 0.00 -0.53 0.00 0.00 54.58 50.29 1x5n n ASN 75 Cb 0.00 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.06 1x5n n ASN 75 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1x5n n LEU 76 N -0.51 0.00 -4.29 -4.53 4.77 -1.26 -5.00 117.00 106.18 1x5n n LEU 76 Ca 0.44 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 1x5n n LEU 76 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1x5n n LEU 76 CO 0.39 -0.45 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.16 1x5n s ASP 77 N -1.07 1.02 0.00 -1.43 2.15 -1.26 -4.81 116.67 111.28 1x5n s ASP 77 Ca 0.00 -1.45 0.18 0.00 0.43 0.00 0.00 52.55 51.71 1x5n s ASP 77 Cb 0.00 0.30 0.89 0.00 -0.30 0.00 0.00 42.92 43.81 1x5n s ASP 77 CO 0.00 -0.82 1.54 1.57 -0.17 0.00 0.00 175.17 177.29 1x5n n HIS 78 N -0.45 0.00 -0.07 -5.34 -0.00 -1.26 0.55 115.22 108.64 1x5n n HIS 78 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.64 1x5n n HIS 78 Cb 0.66 -0.31 -0.08 0.00 -0.00 0.00 0.00 29.99 30.25 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 -1.31 0.99 0.12 1.57 4.76 -1.26 -3.94 118.16 119.08 1x5n n LYS 79 Ca 0.08 0.06 -0.20 0.00 -2.87 0.00 0.00 58.31 55.38 1x5n n LYS 79 Cb 0.15 -1.32 -0.14 0.00 -1.84 0.00 0.00 35.03 31.89 1x5n n LYS 79 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1x5n h GLU 80 N 0.00 0.43 0.00 1.97 4.39 -1.88 0.47 114.58 119.96 1x5n h GLU 80 Ca -0.35 -0.67 -0.09 0.00 0.34 0.00 0.00 59.36 58.59 1x5n h GLU 80 Cb 1.63 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 1x5n h GLU 80 CO -0.03 1.31 -0.41 0.00 -1.16 0.00 0.00 179.01 178.72 1x5n h ALA 81 N 0.41 0.96 0.12 3.43 0.00 -0.15 -0.88 119.26 123.16 1x5n h ALA 81 Ca -0.18 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 1x5n h ALA 81 Cb 2.00 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.73 1x5n h ALA 81 CO 0.23 0.52 -1.11 0.28 0.00 0.00 0.00 179.25 179.17 1x5n h VAL 82 N 0.00 1.26 -0.52 0.00 2.07 -1.67 -2.32 116.25 115.07 1x5n h VAL 82 Ca -0.00 -2.46 0.01 0.00 0.82 0.00 0.00 66.70 65.06 1x5n h VAL 82 Cb 0.96 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.64 1x5n h VAL 82 CO 0.05 0.70 0.34 -1.13 0.02 0.00 0.00 177.57 177.55 1x5n h ASN 83 N -0.36 0.59 0.55 0.57 -1.24 -0.85 1.61 115.58 116.44 1x5n h ASN 83 Ca -0.23 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 56.69 1x5n h ASN 83 Cb 1.69 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.58 1x5n h ASN 83 CO 0.10 0.42 -0.37 0.58 -1.29 0.00 0.00 177.43 176.86 1x5n h VAL 84 N 0.69 1.08 0.15 2.57 2.07 -1.28 0.69 116.25 122.24 1x5n h VAL 84 Ca 0.19 -1.37 -0.31 0.00 0.82 0.00 0.00 66.70 66.04 1x5n h VAL 84 Cb -0.07 1.78 0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1x5n h VAL 84 CO -0.05 0.37 -1.30 -0.07 0.02 0.00 0.00 177.57 176.53 1x5n h LEU 85 N 0.00 0.86 -0.51 2.57 3.38 -0.57 -3.12 115.31 117.91 1x5n h LEU 85 Ca -0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1x5n h LEU 85 Cb 0.75 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x5n h LEU 85 CO 0.05 1.63 -0.06 2.29 0.09 0.00 0.00 178.44 182.43 1x5n n LYS 86 N -3.76 1.16 0.04 1.13 2.85 0.54 -4.23 118.16 115.89 1x5n n LYS 86 Ca -0.14 -0.51 -0.04 0.00 -1.05 0.00 0.00 58.31 56.57 1x5n n LYS 86 Cb 1.02 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.89 1x5n n LYS 86 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x5n h SER 87 N 1.25 -0.32 -4.50 -5.58 0.87 0.47 -3.46 113.55 102.28 1x5n h SER 87 Ca 0.00 0.03 -0.48 0.00 -1.23 0.00 0.00 61.79 60.11 1x5n h SER 87 Cb 0.36 0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.34 1x5n h SER 87 CO 0.00 -0.13 -0.34 -0.24 -0.53 0.00 0.00 176.83 175.59 1x5n n SER 88 N -3.02 3.00 -0.08 6.23 2.88 -1.26 -5.08 113.62 116.29 1x5n n SER 88 Ca -0.02 -2.61 -0.11 0.00 -1.33 0.00 0.00 58.87 54.80 1x5n n SER 88 Cb 0.09 0.25 -0.06 0.00 -0.75 0.00 0.00 64.21 63.74 1x5n n SER 88 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x5n h ARG 89 N 0.00 0.00 -5.54 -1.46 2.47 -1.88 -3.45 114.38 104.52 1x5n h ARG 89 Ca -0.31 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.81 1x5n h ARG 89 Cb 0.93 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.14 1x5n h ARG 89 CO 0.51 0.48 0.19 -1.12 0.56 0.00 0.00 179.97 180.59 1x5n s SER 90 N -6.13 6.59 0.03 7.04 0.01 -1.26 -1.04 113.70 118.94 1x5n s SER 90 Ca -0.17 0.71 0.01 0.00 1.31 0.00 0.00 55.95 57.81 1x5n s SER 90 Cb 0.02 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1x5n s SER 90 CO 0.37 -0.40 -0.06 -0.76 0.41 0.00 0.00 173.24 172.81 1x5n s LEU 91 N 2.55 2.21 -0.46 2.44 1.43 0.39 -4.99 118.68 122.24 1x5n s LEU 91 Ca 0.27 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.83 1x5n s LEU 91 Cb -0.15 -0.09 0.11 0.00 0.03 0.00 0.00 46.19 46.08 1x5n s LEU 91 CO 0.09 -0.19 0.33 -0.89 0.23 0.00 0.00 176.35 175.92 1x5n s THR 92 N -1.17 4.25 0.03 5.49 2.01 -1.26 -0.31 115.64 124.67 1x5n s THR 92 Ca -0.10 -1.67 -0.20 0.00 0.31 0.00 0.00 61.69 60.03 1x5n s THR 92 Cb -0.08 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1x5n s THR 92 CO -0.00 -0.71 0.57 -0.63 -0.69 0.00 0.00 174.62 173.16 1x5n s ILE 93 N 1.39 4.85 -0.35 1.82 1.01 0.24 0.19 121.20 130.34 1x5n s ILE 93 Ca 0.05 1.21 0.03 0.00 0.00 0.00 0.00 60.65 61.94 1x5n s ILE 93 Cb -0.25 -3.91 0.10 0.00 0.01 0.00 0.00 42.46 38.41 1x5n s ILE 93 CO 0.00 0.48 0.07 -0.44 0.00 0.00 0.00 174.94 175.06 1x5n s SER 94 N -0.60 4.84 0.40 3.58 0.01 0.83 0.94 113.70 123.70 1x5n s SER 94 Ca 0.30 -2.14 0.08 0.00 1.31 0.00 0.00 55.95 55.50 1x5n s SER 94 Cb -0.19 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.39 1x5n s SER 94 CO 0.18 -0.40 0.54 0.27 0.41 0.00 0.00 173.24 174.23 1x5n s ILE 95 N 0.94 3.25 -0.37 1.44 -4.36 -0.53 -1.98 121.20 119.58 1x5n s ILE 95 Ca 0.10 -1.02 0.06 0.00 -0.26 0.00 0.00 60.65 59.54 1x5n s ILE 95 Cb -0.20 -3.10 0.50 0.00 1.25 0.00 0.00 42.46 40.91 1x5n s ILE 95 CO -0.07 -0.04 1.53 0.52 0.24 0.00 0.00 174.94 177.12 1x5n n VAL 96 N -1.78 2.80 -2.96 8.37 0.31 -1.23 0.15 118.33 123.98 1x5n n VAL 96 Ca 0.06 -3.10 -0.01 0.00 -0.01 0.00 0.00 64.34 61.27 1x5n n VAL 96 Cb 0.59 -0.69 -0.01 0.00 -0.91 0.00 0.00 33.84 32.82 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 -0.99 -2.24 -3.93 3.52 0.00 -1.26 -3.52 120.51 112.10 1x5n n ALA 97 Ca 0.43 0.55 -0.40 0.00 0.00 0.00 0.00 53.44 54.02 1x5n n ALA 97 Cb 1.00 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 1.70 -2.57 -0.64 0.00 0.00 -1.26 -4.86 120.51 112.88 1x5n n ALA 98 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1x5n n ALA 98 Cb 0.28 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 -4.71 -0.15 -1.40 0.00 0.00 -0.86 -3.66 120.51 109.74 1x5n n ALA 99 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 1x5n n ALA 99 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.11 4.21 0.29 0.00 0.00 -0.93 -4.54 105.19 104.11 1x5n n GLY 100 Ca 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 1x5n n GLY 100 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x5n h ARG 101 N 2.87 0.71 -0.92 1.61 2.43 -1.67 -1.96 114.38 117.44 1x5n h ARG 101 Ca 0.37 -0.14 0.26 0.00 -0.81 0.00 0.00 59.98 59.65 1x5n h ARG 101 Cb 0.80 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 1x5n h ARG 101 CO 0.81 0.65 0.65 1.05 -1.51 0.00 0.00 179.97 181.62 1x5n h GLU 102 N 0.68 0.08 -0.77 0.20 4.11 -1.89 0.62 114.58 117.62 1x5n h GLU 102 Ca 0.15 -0.01 0.15 0.00 0.07 0.00 0.00 59.36 59.73 1x5n h GLU 102 Cb 0.28 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1x5n h GLU 102 CO -0.00 0.06 0.51 -0.07 0.07 0.00 0.00 179.01 179.58 1x5n h LEU 103 N 0.09 0.41 -4.61 3.06 3.38 -1.73 -1.08 115.31 114.82 1x5n h LEU 103 Ca 0.45 0.02 -0.65 0.00 0.09 0.00 0.00 57.88 57.80 1x5n h LEU 103 Cb 1.64 -0.06 -0.37 0.00 0.09 0.00 0.00 40.66 41.96 1x5n h LEU 103 CO -0.05 0.21 -0.14 0.49 0.09 0.00 0.00 178.44 179.04 1x5n n PHE 104 N -4.48 3.24 -3.71 1.13 3.72 0.22 -5.02 117.46 112.56 1x5n n PHE 104 Ca 0.15 -2.82 -0.37 0.00 -0.05 0.00 0.00 57.45 54.35 1x5n n PHE 104 Cb 0.53 -0.47 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 1x5n n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x5n s MET 105 N -3.72 3.69 -0.21 -1.08 0.23 -0.41 -4.73 119.30 113.07 1x5n s MET 105 Ca 0.50 0.10 -0.04 0.00 -1.03 0.00 0.00 55.69 55.22 1x5n s MET 105 Cb 0.42 -3.22 0.01 0.00 -1.53 0.00 0.00 34.83 30.51 1x5n s MET 105 CO -0.24 0.71 0.07 2.41 -2.03 0.00 0.00 175.02 175.94 1x5n n THR 106 N 2.02-10.19 -4.35 3.16 -1.04 -1.26 -5.05 114.28 97.57 1x5n n THR 106 Ca -0.17 1.81 -0.19 0.00 -2.04 0.00 0.00 64.05 63.47 1x5n n THR 106 Cb 0.54 -5.99 -0.10 0.00 -1.82 0.00 0.00 70.33 62.95 1x5n n THR 106 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1x5n s ASP 107 N -1.17 2.52 -0.10 8.00 1.01 -1.26 -5.16 116.67 120.51 1x5n s ASP 107 Ca -0.08 -1.06 -0.30 0.00 0.71 0.00 0.00 52.55 51.82 1x5n s ASP 107 Cb 0.01 -0.13 0.12 0.00 1.01 0.00 0.00 42.92 43.93 1x5n s ASP 107 CO 0.63 -0.23 0.99 -0.60 0.21 0.00 0.00 175.17 176.18 1x5n s ARG 108 N -3.68 0.63 0.52 8.23 3.00 -1.26 -5.15 118.95 121.25 1x5n s ARG 108 Ca 0.24 -0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.87 1x5n s ARG 108 Cb 0.01 0.29 0.00 0.00 0.00 0.00 0.00 34.95 35.25 1x5n s ARG 108 CO 0.07 -0.25 0.00 0.45 0.00 0.00 0.00 175.30 175.57 1x5n n SER 109 N 0.16 -6.86 -3.21 -2.12 2.88 -1.26 -4.99 113.62 98.22 1x5n n SER 109 Ca -0.08 1.38 -0.01 0.00 -1.33 0.00 0.00 58.87 58.84 1x5n n SER 109 Cb 0.60 -4.20 -0.02 0.00 -0.75 0.00 0.00 64.21 59.83 1x5n n SER 109 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5n s GLY 110 N -6.10 -1.04 -0.73 0.46 0.00 -1.26 -5.10 107.32 93.55 1x5n s GLY 110 Ca 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 44.72 44.92 1x5n s GLY 110 CO 0.00 3.49 1.59 2.56 0.00 0.00 0.00 173.10 180.73 1x5n s PRO 111 N 2.35 2.95 -0.42 2.90 0.04 -1.26 -4.94 135.00 136.61 1x5n s PRO 111 Ca 0.12 0.01 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 1x5n s PRO 111 Cb -0.09 -4.45 0.11 0.00 0.04 0.00 0.00 34.50 30.12 1x5n s PRO 111 CO -0.19 -2.50 0.20 0.45 0.04 0.00 0.00 177.00 175.01 1x5n s SER 112 N 5.97 5.14 -0.39 6.66 0.15 -1.26 -4.99 113.70 124.98 1x5n s SER 112 Ca 0.52 -2.17 0.04 0.00 0.70 0.00 0.00 55.95 55.04 1x5n s SER 112 Cb -0.09 -1.79 0.16 0.00 -1.71 0.00 0.00 66.02 62.59 1x5n s SER 112 CO 0.14 -0.49 0.43 -0.55 1.20 0.00 0.00 173.24 173.96 1x5n s SER 113 N 1.49 0.69 0.00 5.45 0.15 -1.26 -5.36 113.70 114.87 1x5n s SER 113 Ca 0.10 -1.64 0.18 0.00 0.70 0.00 0.00 55.95 55.29 1x5n s SER 113 Cb -0.22 0.74 1.08 0.00 -1.71 0.00 0.00 66.02 65.90 1x5n s SER 113 CO -0.05 -0.22 1.48 0.61 1.20 0.00 0.00 173.24 176.26