#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 -1.14 -0.30 1.61 1.04 -1.26 -5.14 113.70 108.51 1x5n s SER 2 Ca 0.00 0.63 -0.14 0.00 0.48 0.00 0.00 55.95 56.92 1x5n s SER 2 Cb 0.00 1.92 0.17 0.00 0.10 0.00 0.00 66.02 68.21 1x5n s SER 2 CO 0.00 -0.21 0.99 -0.55 0.98 0.00 0.00 173.24 174.45 1x5n s SER 3 N 2.88 -0.58 0.03 7.02 0.15 -1.26 -5.17 113.70 116.78 1x5n s SER 3 Ca 0.14 0.66 0.09 0.00 0.70 0.00 0.00 55.95 57.54 1x5n s SER 3 Cb -0.13 1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 65.76 1x5n s SER 3 CO -0.19 -0.11 -0.26 -0.83 1.20 0.00 0.00 173.24 173.05 1x5n s GLY 4 N 2.56 1.37 -0.06 9.45 0.00 -1.26 -5.13 107.32 114.26 1x5n s GLY 4 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1x5n s GLY 4 CO -0.16 -1.10 -0.04 -0.56 0.00 0.00 0.00 173.10 171.24 1x5n s SER 5 N -1.09 1.24 0.16 1.64 0.01 -1.26 -5.01 113.70 109.39 1x5n s SER 5 Ca 0.11 -0.13 0.12 0.00 1.31 0.00 0.00 55.95 57.36 1x5n s SER 5 Cb -0.10 -0.48 -0.09 0.00 0.21 0.00 0.00 66.02 65.56 1x5n s SER 5 CO 0.01 -0.10 1.22 -1.28 0.41 0.00 0.00 173.24 173.51 1x5n h SER 6 N 7.57 0.00 -3.69 2.44 0.87 -2.09 -3.50 113.55 115.15 1x5n h SER 6 Ca -0.32 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 60.53 1x5n h SER 6 Cb 1.14 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.95 1x5n h SER 6 CO 0.41 0.73 -1.04 0.61 -0.53 0.00 0.00 176.83 177.02 1x5n n GLY 7 N 1.33 -3.21 3.41 5.77 0.00 -1.26 -4.76 105.19 106.46 1x5n n GLY 7 Ca -0.02 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -6.71 6.03 1.08 1.61 0.01 -1.26 -5.07 113.70 109.39 1x5n s SER 8 Ca 0.00 -1.11 -0.17 0.00 1.31 0.00 0.00 55.95 55.97 1x5n s SER 8 Cb 0.00 -2.13 0.24 0.00 0.21 0.00 0.00 66.02 64.34 1x5n s SER 8 CO 0.00 -0.52 1.22 -2.16 0.41 0.00 0.00 173.24 172.19 1x5n s PRO 9 N 1.63 -0.25 0.00 12.44 0.04 -1.26 -5.02 135.00 142.57 1x5n s PRO 9 Ca 0.04 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1x5n s PRO 9 Cb -0.21 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1x5n s PRO 9 CO 0.08 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.49 1x5n n GLY 10 N -2.38 1.11 3.52 0.56 0.00 -1.26 -5.18 105.19 101.55 1x5n n GLY 10 Ca 0.14 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1x5n n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5n s ASN 11 N 0.00 -0.65 -0.40 1.61 2.20 -1.26 -5.13 114.94 111.31 1x5n s ASN 11 Ca 0.00 0.73 0.08 0.00 -0.94 0.00 0.00 52.86 52.72 1x5n s ASN 11 Cb 0.00 0.56 0.18 0.00 -2.00 0.00 0.00 41.25 39.99 1x5n s ASN 11 CO 0.00 -0.59 0.61 -0.13 -2.94 0.00 0.00 177.10 174.05 1x5n s ARG 12 N -1.14 0.80 0.14 3.55 0.52 -1.26 -5.15 118.95 116.40 1x5n s ARG 12 Ca -0.11 -0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 54.68 1x5n s ARG 12 Cb -0.00 0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.57 1x5n s ARG 12 CO 0.10 -1.18 0.43 -2.00 0.02 0.00 0.00 175.30 172.66 1x5n s GLU 13 N 1.87 1.12 0.25 3.54 2.12 -1.26 -5.08 118.70 121.26 1x5n s GLU 13 Ca 0.16 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1x5n s GLU 13 Cb -0.05 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1x5n s GLU 13 CO -0.08 -0.45 0.00 0.09 -0.54 0.00 0.00 175.26 174.29 1x5n n ASN 14 N -0.25 -0.63 -4.64 -1.70 3.02 -1.26 -5.12 115.26 104.68 1x5n n ASN 14 Ca -0.16 0.44 -0.29 0.00 -0.03 0.00 0.00 54.58 54.55 1x5n n ASN 14 Cb 0.64 0.76 0.16 0.00 -0.61 0.00 0.00 39.78 40.73 1x5n n ASN 14 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1x5n s LYS 15 N -2.00 0.62 -0.08 3.52 1.02 -1.26 -4.55 119.74 117.01 1x5n s LYS 15 Ca 0.00 0.31 -0.00 0.00 0.02 0.00 0.00 55.97 56.30 1x5n s LYS 15 Cb 0.00 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1x5n s LYS 15 CO 0.00 -2.56 0.00 0.39 -0.92 0.00 0.00 175.35 172.26 1x5n n GLU 16 N -4.02 -1.12 -4.18 1.68 1.02 -1.25 -4.96 120.64 107.81 1x5n n GLU 16 Ca 0.07 1.31 -0.30 0.00 -0.02 0.00 0.00 57.16 58.21 1x5n n GLU 16 Cb 0.59 -2.15 -0.09 0.00 -0.02 0.00 0.00 31.44 29.77 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 -1.17 2.41 -0.27 3.49 -2.85 0.22 -4.96 119.74 116.61 1x5n s LYS 17 Ca -0.00 -0.89 -0.10 0.00 -1.00 0.00 0.00 55.97 53.98 1x5n s LYS 17 Cb 0.00 -2.46 -0.04 0.00 -2.06 0.00 0.00 37.83 33.27 1x5n s LYS 17 CO 0.21 0.53 0.15 0.21 0.10 0.00 0.00 175.35 176.56 1x5n s LYS 18 N -2.23 3.83 -0.20 1.78 2.20 -1.26 -1.04 119.74 122.82 1x5n s LYS 18 Ca 0.24 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.47 1x5n s LYS 18 Cb -0.11 -3.56 0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1x5n s LYS 18 CO 0.16 -0.20 -0.16 0.14 -0.36 0.00 0.00 175.35 174.93 1x5n s VAL 19 N 1.71 1.99 -0.36 4.02 -7.23 0.41 -4.97 120.40 115.97 1x5n s VAL 19 Ca 0.07 -1.06 -0.16 0.00 -1.81 0.00 0.00 61.98 59.01 1x5n s VAL 19 Cb -0.16 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 1x5n s VAL 19 CO 0.09 0.37 0.41 0.12 -0.31 0.00 0.00 175.10 175.78 1x5n s PHE 20 N 1.28 3.20 -0.24 2.82 2.19 -1.26 0.12 117.98 126.09 1x5n s PHE 20 Ca 0.01 -0.05 -0.14 0.00 0.33 0.00 0.00 56.93 57.09 1x5n s PHE 20 Cb -0.15 -2.77 -0.04 0.00 -1.31 0.00 0.00 43.02 38.75 1x5n s PHE 20 CO -0.11 -0.51 0.31 0.42 1.83 0.00 0.00 175.22 177.16 1x5n s ILE 21 N 2.12 5.25 -0.19 3.12 -1.09 0.12 -4.92 121.20 125.61 1x5n s ILE 21 Ca 0.13 0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 58.99 1x5n s ILE 21 Cb -0.16 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1x5n s ILE 21 CO 0.12 0.25 -0.05 -0.55 -1.23 0.00 0.00 174.94 173.49 1x5n s SER 22 N 1.28 4.43 -1.09 3.58 0.15 -1.26 -0.60 113.70 120.18 1x5n s SER 22 Ca 0.14 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1x5n s SER 22 Cb -0.15 -1.74 0.29 0.00 -1.71 0.00 0.00 66.02 62.71 1x5n s SER 22 CO 0.08 0.05 1.65 0.18 1.20 0.00 0.00 173.24 176.40 1x5n n LEU 23 N 4.33 6.78 -4.30 3.45 7.99 -0.83 -4.86 117.00 129.56 1x5n n LEU 23 Ca -0.18 -5.20 -0.16 0.00 -0.01 0.00 0.00 56.01 50.46 1x5n n LEU 23 Cb 0.52 -1.27 -0.10 0.00 -0.11 0.00 0.00 43.42 42.46 1x5n n LEU 23 CO 0.30 1.78 -0.27 0.68 -1.51 0.00 0.00 177.39 178.37 1x5n s VAL 24 N -2.87 0.60 0.00 4.08 -7.23 -1.26 -4.82 120.40 108.90 1x5n s VAL 24 Ca 0.35 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1x5n s VAL 24 Cb 0.10 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1x5n s VAL 24 CO 0.03 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1x5n n GLY 25 N -0.42 0.12 3.57 2.32 0.00 -1.26 -3.51 105.19 106.01 1x5n n GLY 25 Ca -0.02 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1x5n n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5n s SER 26 N -4.00 5.63 -0.30 1.61 0.15 -1.26 -4.72 113.70 110.81 1x5n s SER 26 Ca 0.00 -1.51 -0.18 0.00 0.70 0.00 0.00 55.95 54.95 1x5n s SER 26 Cb 0.00 -2.58 0.17 0.00 -1.71 0.00 0.00 66.02 61.91 1x5n s SER 26 CO 0.00 -2.38 1.24 -0.60 1.20 0.00 0.00 173.24 172.70 1x5n s ARG 27 N 5.96 0.03 -0.04 5.44 6.06 -1.23 -5.12 118.95 130.05 1x5n s ARG 27 Ca 0.63 0.06 0.03 0.00 -2.50 0.00 0.00 55.73 53.95 1x5n s ARG 27 Cb -0.01 0.04 0.01 0.00 0.06 0.00 0.00 34.95 35.04 1x5n s ARG 27 CO 0.05 -0.03 -0.11 0.20 -2.50 0.00 0.00 175.30 172.91 1x5n s GLY 28 N 2.86 0.67 0.41 8.12 0.00 -1.26 -4.02 107.32 114.10 1x5n s GLY 28 Ca -0.09 -0.40 -0.21 0.00 0.00 0.00 0.00 44.72 44.03 1x5n s GLY 28 CO -0.08 -0.03 0.14 -0.10 0.00 0.00 0.00 173.10 173.03 1x5n n LEU 29 N 3.48 -2.49 -1.45 0.66 7.94 -1.26 -3.78 117.00 120.09 1x5n n LEU 29 Ca -0.20 0.82 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 1x5n n LEU 29 Cb 0.53 -0.91 -0.00 0.00 0.53 0.00 0.00 43.42 43.56 1x5n n LEU 29 CO 0.25 -4.04 0.16 0.61 -1.11 0.00 0.00 177.39 173.25 1x5n n GLY 30 N 2.27 0.92 3.63 -3.96 0.00 -1.26 -4.77 105.19 102.02 1x5n n GLY 30 Ca 0.11 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.15 6.33 0.04 0.00 0.15 0.20 -4.94 113.70 113.33 1x5n s SER 32 Ca 0.23 0.44 0.06 0.00 0.70 0.00 0.00 55.95 57.38 1x5n s SER 32 Cb -0.11 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1x5n s SER 32 CO 0.15 0.40 -0.12 0.27 1.20 0.00 0.00 173.24 175.13 1x5n s ILE 33 N -1.04 3.21 0.31 6.45 -4.36 -1.26 0.17 121.20 124.67 1x5n s ILE 33 Ca 0.16 -1.05 0.06 0.00 -0.26 0.00 0.00 60.65 59.56 1x5n s ILE 33 Cb -0.12 -2.40 -0.06 0.00 1.25 0.00 0.00 42.46 41.13 1x5n s ILE 33 CO 0.05 0.32 -0.02 -0.55 0.24 0.00 0.00 174.94 174.98 1x5n s SER 34 N -1.57 2.78 -0.18 4.36 0.15 0.31 -4.83 113.70 114.72 1x5n s SER 34 Ca 0.17 -1.26 -0.04 0.00 0.70 0.00 0.00 55.95 55.51 1x5n s SER 34 Cb -0.11 -0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 1x5n s SER 34 CO 0.08 -0.43 -0.02 -0.94 1.20 0.00 0.00 173.24 173.12 1x5n s SER 35 N -3.49 4.76 0.86 5.45 1.04 -1.26 -2.07 113.70 118.99 1x5n s SER 35 Ca 0.32 -0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 1x5n s SER 35 Cb 0.06 -1.79 0.11 0.00 0.10 0.00 0.00 66.02 64.49 1x5n s SER 35 CO 0.14 0.11 1.14 -0.83 0.98 0.00 0.00 173.24 174.77 1x5n s GLY 36 N 0.74 1.59 0.33 7.32 0.00 -0.91 -4.93 107.32 111.45 1x5n s GLY 36 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 1x5n s GLY 36 CO 0.02 0.03 0.36 -1.55 0.00 0.00 0.00 173.10 171.96 1x5n n PRO 37 N -3.59 -1.00 0.15 2.90 -0.04 -1.11 -4.45 135.00 127.86 1x5n n PRO 37 Ca 0.07 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1x5n n PRO 37 Cb 0.59 -0.45 0.22 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.54 1.35 0.02 0.52 2.10 -1.97 0.75 117.51 118.73 1x5n h ILE 38 Ca -0.13 -1.93 -0.20 0.00 1.08 0.00 0.00 64.86 63.68 1x5n h ILE 38 Cb 0.36 2.05 -0.02 0.00 -1.09 0.00 0.00 36.82 38.13 1x5n h ILE 38 CO 0.09 0.54 -0.93 0.06 -1.08 0.00 0.00 178.15 176.83 1x5n h GLN 39 N 0.00 0.12 -2.03 2.19 3.07 -2.05 -3.36 115.11 113.05 1x5n h GLN 39 Ca -0.01 -0.15 -0.51 0.00 0.09 0.00 0.00 58.65 58.07 1x5n h GLN 39 Cb 1.01 0.05 -0.40 0.00 0.08 0.00 0.00 27.48 28.22 1x5n h GLN 39 CO 0.07 0.96 -1.12 1.17 0.09 0.00 0.00 178.83 180.01 1x5n n LYS 40 N -3.56 1.15 -2.53 0.06 4.81 -1.08 -5.11 118.16 111.90 1x5n n LYS 40 Ca -0.03 -3.50 -0.37 0.00 -0.87 0.00 0.00 58.31 53.54 1x5n n LYS 40 Cb 0.86 -1.66 -0.04 0.00 0.02 0.00 0.00 35.03 34.21 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 -2.25 4.24 0.00 1.64 0.04 0.26 -2.77 135.00 136.16 1x5n s PRO 41 Ca 0.40 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1x5n s PRO 41 Cb 0.30 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1x5n s PRO 41 CO -0.09 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1x5n n GLY 42 N 0.49 -0.86 3.13 0.56 0.00 -1.26 -4.77 105.19 102.48 1x5n n GLY 42 Ca 0.04 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.86 2.35 0.09 -0.61 -1.09 -1.26 -2.14 121.20 115.68 1x5n s ILE 43 Ca 0.00 -1.19 0.09 0.00 -2.23 0.00 0.00 60.65 57.32 1x5n s ILE 43 Cb 0.00 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1x5n s ILE 43 CO 0.00 0.25 -0.25 -0.36 -1.23 0.00 0.00 174.94 173.35 1x5n s PHE 44 N 1.24 2.14 0.27 3.97 0.40 -0.88 0.21 117.98 125.33 1x5n s PHE 44 Ca -0.01 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.63 1x5n s PHE 44 Cb -0.16 -1.21 -0.09 0.00 0.51 0.00 0.00 43.02 42.06 1x5n s PHE 44 CO -0.08 0.22 1.04 0.42 0.70 0.00 0.00 175.22 177.52 1x5n s ILE 45 N -0.96 3.71 -0.18 0.64 1.01 -1.16 0.11 121.20 124.36 1x5n s ILE 45 Ca 0.11 1.70 0.03 0.00 0.00 0.00 0.00 60.65 62.49 1x5n s ILE 45 Cb -0.10 -4.07 -0.13 0.00 0.01 0.00 0.00 42.46 38.17 1x5n s ILE 45 CO 0.04 0.39 -0.13 -1.54 0.00 0.00 0.00 174.94 173.70 1x5n n SER 46 N 1.23 2.35 -3.64 3.58 3.41 0.46 -2.95 113.62 118.05 1x5n n SER 46 Ca -0.01 -0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1x5n n SER 46 Cb 0.46 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.37 -0.25 -0.06 7.33 5.65 -1.22 -4.82 115.29 119.55 1x5n s HIS 47 Ca -0.22 0.07 -0.00 0.00 0.25 0.00 0.00 55.06 55.16 1x5n s HIS 47 Cb 0.06 0.25 0.02 0.00 -1.18 0.00 0.00 32.58 31.73 1x5n s HIS 47 CO 0.46 -0.64 -0.03 0.08 -0.65 0.00 0.00 174.74 173.96 1x5n s VAL 48 N -3.15 0.52 0.51 0.89 1.01 -1.26 0.63 120.40 119.55 1x5n s VAL 48 Ca -0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 1x5n s VAL 48 Cb 0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 1x5n s VAL 48 CO -0.07 0.25 1.08 -0.54 0.00 0.00 0.00 175.10 175.82 1x5n s LYS 49 N 1.44 3.62 -0.37 2.72 1.02 0.12 -4.95 119.74 123.34 1x5n s LYS 49 Ca -0.03 1.47 -0.29 0.00 0.02 0.00 0.00 55.97 57.15 1x5n s LYS 49 Cb -0.13 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1x5n s LYS 49 CO -0.03 -0.61 1.39 -1.25 -0.92 0.00 0.00 175.35 173.94 1x5n s PRO 50 N -3.24 3.67 0.00 -1.68 0.04 -1.26 -2.76 135.00 129.78 1x5n s PRO 50 Ca 0.69 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1x5n s PRO 50 Cb -0.20 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1x5n s PRO 50 CO 0.23 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1x5n n GLY 51 N 4.86 1.23 4.00 0.56 0.00 -1.26 -5.09 105.19 109.49 1x5n n GLY 51 Ca 0.16 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.43 5.03 0.61 1.61 1.04 -1.11 -4.83 113.70 113.63 1x5n s SER 52 Ca 0.00 -0.42 0.39 0.00 0.48 0.00 0.00 55.95 56.40 1x5n s SER 52 Cb 0.00 -0.26 1.91 0.00 0.10 0.00 0.00 66.02 67.77 1x5n s SER 52 CO 0.00 -1.33 2.18 0.25 0.98 0.00 0.00 173.24 175.32 1x5n h LEU 53 N 0.04 0.00 0.02 2.42 7.12 -1.86 0.12 115.31 123.16 1x5n h LEU 53 Ca -0.37 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.30 1x5n h LEU 53 Cb 1.28 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.36 1x5n h LEU 53 CO 0.44 0.00 -2.06 -1.54 -0.13 0.00 0.00 178.44 175.15 1x5n n SER 54 N -3.08 0.90 0.01 1.25 3.41 -1.26 -3.99 113.62 110.85 1x5n n SER 54 Ca -0.01 0.19 -0.07 0.00 -0.26 0.00 0.00 58.87 58.71 1x5n n SER 54 Cb 0.19 0.13 0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.75 0.83 -0.72 7.33 0.00 -1.57 0.68 119.26 126.56 1x5n h ALA 55 Ca -0.43 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.03 1x5n h ALA 55 Cb 2.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 1x5n h ALA 55 CO 0.05 0.66 0.47 1.05 0.00 0.00 0.00 179.25 181.48 1x5n h GLU 56 N 0.41 0.92 0.00 0.00 4.11 -0.96 -0.18 114.58 118.89 1x5n h GLU 56 Ca 0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1x5n h GLU 56 Cb 0.96 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1x5n h GLU 56 CO 0.09 0.61 -0.31 -0.39 0.07 0.00 0.00 179.01 179.08 1x5n h VAL 57 N 0.95 0.21 0.00 -1.06 -1.51 -1.63 -3.47 116.25 109.74 1x5n h VAL 57 Ca 0.27 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 1x5n h VAL 57 Cb -0.08 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1x5n h VAL 57 CO -0.06 0.12 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 1x5n n GLY 58 N 1.15 1.47 3.77 5.19 0.00 -0.08 -5.06 105.19 111.63 1x5n n GLY 58 Ca 0.02 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 4.36 0.27 0.99 1.43 0.23 -4.98 118.68 120.98 1x5n s LEU 59 Ca 0.00 2.51 0.02 0.00 -1.03 0.00 0.00 54.13 55.63 1x5n s LEU 59 Cb 0.00 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1x5n s LEU 59 CO 0.00 -0.53 0.08 -1.61 0.23 0.00 0.00 176.35 174.51 1x5n s GLU 60 N -1.91 1.45 0.22 1.70 2.02 -1.26 -4.61 118.70 116.31 1x5n s GLU 60 Ca 0.51 -1.78 -0.31 0.00 0.02 0.00 0.00 54.97 53.41 1x5n s GLU 60 Cb -0.36 -0.43 -0.11 0.00 0.10 0.00 0.00 34.13 33.34 1x5n s GLU 60 CO 0.46 -0.25 1.57 0.42 0.02 0.00 0.00 175.26 177.49 1x5n s ILE 61 N -3.62 2.40 0.00 -1.63 1.01 -1.26 -2.53 121.20 115.57 1x5n s ILE 61 Ca 0.36 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1x5n s ILE 61 Cb 0.08 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1x5n s ILE 61 CO 0.13 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1x5n n GLY 62 N 3.12 1.23 3.54 6.18 0.00 -1.15 -4.73 105.19 113.38 1x5n n GLY 62 Ca 0.11 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 0.03 1.73 -4.72 1.61 8.00 -1.05 -1.50 116.55 120.66 1x5n n ASP 63 Ca 0.00 -0.52 -0.41 0.00 0.71 0.00 0.00 54.79 54.57 1x5n n ASP 63 Cb 0.00 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 39.63 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 8.46 4.51 -0.50 -1.24 0.74 -1.26 -2.98 119.66 127.39 1x5n s GLN 64 Ca 1.06 1.17 -0.26 0.00 0.05 0.00 0.00 55.36 57.37 1x5n s GLN 64 Cb -0.39 -3.44 0.03 0.00 1.10 0.00 0.00 33.01 30.30 1x5n s GLN 64 CO 0.29 0.03 1.00 0.42 -0.55 0.00 0.00 175.29 176.49 1x5n s ILE 65 N 0.80 4.34 -0.12 -2.34 1.01 0.56 -3.49 121.20 121.97 1x5n s ILE 65 Ca 0.45 0.72 0.20 0.00 0.00 0.00 0.00 60.65 62.02 1x5n s ILE 65 Cb -0.20 -4.53 -0.26 0.00 0.01 0.00 0.00 42.46 37.48 1x5n s ILE 65 CO 0.24 -1.01 0.40 1.33 0.00 0.00 0.00 174.94 175.90 1x5n n VAL 66 N 6.47 0.73 -3.75 2.92 0.24 -0.95 -3.98 118.33 120.02 1x5n n VAL 66 Ca 0.06 -0.67 -0.12 0.00 -2.04 0.00 0.00 64.34 61.57 1x5n n VAL 66 Cb 0.48 -0.30 -0.08 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 -3.03 0.77 -0.24 7.34 2.12 -1.18 -1.61 118.70 122.86 1x5n s GLU 67 Ca -0.08 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 1x5n s GLU 67 Cb 0.10 0.34 0.13 0.00 0.26 0.00 0.00 34.13 34.96 1x5n s GLU 67 CO 0.86 -0.24 0.41 0.08 -0.54 0.00 0.00 175.26 175.83 1x5n s VAL 68 N -2.07 -0.65 -1.60 3.70 1.01 -1.03 0.16 120.40 119.92 1x5n s VAL 68 Ca -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1x5n s VAL 68 Cb -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1x5n s VAL 68 CO -0.00 -0.07 0.17 -3.20 0.00 0.00 0.00 175.10 171.99 1x5n n ASN 69 N 5.38 -5.57 0.00 3.32 2.85 0.51 -0.28 115.26 121.47 1x5n n ASN 69 Ca -0.04 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1x5n n ASN 69 Cb 0.50 -4.61 0.00 0.00 1.24 0.00 0.00 39.78 36.91 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 -1.11 0.43 3.96 8.20 0.00 -1.26 -4.91 105.19 110.50 1x5n n GLY 70 Ca -0.19 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 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 5.25 -0.99 1.61 1.01 0.62 -5.04 120.40 120.86 1x5n s VAL 71 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1x5n s VAL 71 Cb 0.00 -3.83 0.18 0.00 0.00 0.00 0.00 36.38 32.73 1x5n s VAL 71 CO 0.00 -0.30 1.10 -0.62 0.00 0.00 0.00 175.10 175.28 1x5n s ASP 72 N -3.79 6.85 -0.11 3.32 -1.08 -1.26 -2.45 116.67 118.14 1x5n s ASP 72 Ca 0.35 -2.61 0.11 0.00 -0.52 0.00 0.00 52.55 49.89 1x5n s ASP 72 Cb -0.10 -2.33 0.52 0.00 -1.46 0.00 0.00 42.92 39.56 1x5n s ASP 72 CO 0.30 -0.78 1.35 0.49 0.52 0.00 0.00 175.17 177.05 1x5n n PHE 73 N 5.24 1.19 1.47 -5.34 3.01 -0.64 -3.89 117.46 118.50 1x5n n PHE 73 Ca 0.24 -0.44 0.14 0.00 1.01 0.00 0.00 57.45 58.40 1x5n n PHE 73 Cb 0.46 -0.27 0.53 0.00 -0.01 0.00 0.00 39.48 40.20 1x5n n PHE 73 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1x5n n SER 74 N 0.59 1.14 -0.78 4.37 2.88 -1.00 -3.93 113.62 116.88 1x5n n SER 74 Ca 0.18 -1.20 -0.02 0.00 -1.33 0.00 0.00 58.87 56.50 1x5n n SER 74 Cb 0.75 0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 64.22 1x5n n SER 74 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1x5n n ASN 75 N -0.26 -0.20 -2.28 -3.46 0.23 -1.25 -4.48 115.26 103.56 1x5n n ASN 75 Ca 0.17 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.63 1x5n n ASN 75 Cb 0.32 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.06 0.00 -4.37 -4.53 4.77 -1.25 -5.02 117.00 106.66 1x5n n LEU 76 Ca -0.08 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.70 1x5n n LEU 76 Cb 0.67 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.67 1x5n n LEU 76 CO -0.05 -0.47 -0.20 -0.62 -1.33 0.00 0.00 177.39 174.73 1x5n s ASP 77 N -1.08 1.80 0.00 -1.43 2.15 -1.26 -4.79 116.67 112.07 1x5n s ASP 77 Ca 0.00 -1.58 0.20 0.00 0.43 0.00 0.00 52.55 51.60 1x5n s ASP 77 Cb 0.00 0.39 0.96 0.00 -0.30 0.00 0.00 42.92 43.97 1x5n s ASP 77 CO 0.00 -0.89 1.63 1.57 -0.17 0.00 0.00 175.17 177.31 1x5n n HIS 78 N -0.65 0.00 -0.07 -5.34 -0.00 -1.26 0.68 115.22 108.58 1x5n n HIS 78 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1x5n n HIS 78 Cb 0.65 -0.34 -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 -1.34 0.79 0.11 1.57 4.76 -1.26 -3.96 118.16 118.82 1x5n n LYS 79 Ca 0.08 0.07 -0.18 0.00 -2.87 0.00 0.00 58.31 55.41 1x5n n LYS 79 Cb 0.18 -1.31 -0.14 0.00 -1.84 0.00 0.00 35.03 31.93 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 0.36 0.00 1.97 4.39 -1.90 0.00 114.58 119.40 1x5n h GLU 80 Ca -0.34 -0.58 -0.12 0.00 0.34 0.00 0.00 59.36 58.66 1x5n h GLU 80 Cb 1.58 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 30.43 1x5n h GLU 80 CO -0.04 1.27 -0.56 0.00 -1.16 0.00 0.00 179.01 178.52 1x5n h ALA 81 N 0.49 0.98 0.12 3.43 0.00 -0.00 -0.33 119.26 123.94 1x5n h ALA 81 Ca -0.16 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.06 1x5n h ALA 81 Cb 1.98 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.70 1x5n h ALA 81 CO 0.22 0.70 -0.80 0.28 0.00 0.00 0.00 179.25 179.65 1x5n h VAL 82 N 0.00 1.48 -0.38 0.00 2.07 -1.68 -1.59 116.25 116.15 1x5n h VAL 82 Ca -0.01 -2.50 0.01 0.00 0.82 0.00 0.00 66.70 65.02 1x5n h VAL 82 Cb 1.05 3.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.96 1x5n h VAL 82 CO 0.07 0.70 0.25 -1.13 0.02 0.00 0.00 177.57 177.48 1x5n h ASN 83 N -0.44 0.43 -0.04 0.57 -1.24 -0.95 1.48 115.58 115.38 1x5n h ASN 83 Ca -0.15 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 56.76 1x5n h ASN 83 Cb 1.58 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.51 1x5n h ASN 83 CO 0.12 0.31 -0.25 0.58 -1.29 0.00 0.00 177.43 176.90 1x5n h VAL 84 N 0.51 1.26 -0.09 2.57 2.07 -1.16 1.17 116.25 122.59 1x5n h VAL 84 Ca 0.14 -1.26 -0.18 0.00 0.82 0.00 0.00 66.70 66.22 1x5n h VAL 84 Cb -0.05 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1x5n h VAL 84 CO -0.04 0.40 -0.69 -0.07 0.02 0.00 0.00 177.57 177.19 1x5n h LEU 85 N 0.41 0.47 -0.64 2.57 3.38 -0.33 -2.74 115.31 118.43 1x5n h LEU 85 Ca 0.06 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1x5n h LEU 85 Cb 0.66 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x5n h LEU 85 CO 0.05 1.02 -0.20 2.29 0.09 0.00 0.00 178.44 181.69 1x5n n LYS 86 N -3.86 1.07 0.15 1.13 2.85 0.50 -4.29 118.16 115.71 1x5n n LYS 86 Ca -0.04 -0.64 -0.08 0.00 -1.05 0.00 0.00 58.31 56.50 1x5n n LYS 86 Cb 0.68 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.54 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 1.57 -0.52 -1.40 -5.58 0.87 0.17 -3.45 113.55 105.21 1x5n h SER 87 Ca 0.00 0.03 -0.60 0.00 -1.23 0.00 0.00 61.79 59.99 1x5n h SER 87 Cb 0.52 0.16 -0.10 0.00 -0.44 0.00 0.00 62.40 62.54 1x5n h SER 87 CO 0.00 -0.29 -0.52 -0.55 -0.53 0.00 0.00 176.83 174.94 1x5n s SER 88 N -2.98 4.20 -0.08 6.23 0.15 -1.26 -5.07 113.70 114.89 1x5n s SER 88 Ca -0.07 -1.27 -0.03 0.00 0.70 0.00 0.00 55.95 55.28 1x5n s SER 88 Cb 0.01 -0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1x5n s SER 88 CO 0.24 -0.58 0.11 0.03 1.20 0.00 0.00 173.24 174.24 1x5n h ARG 89 N 1.50 -0.09 -5.77 5.44 2.47 -1.87 -3.44 114.38 112.61 1x5n h ARG 89 Ca -0.43 0.01 -0.59 0.00 -1.26 0.00 0.00 59.98 57.71 1x5n h ARG 89 Cb 1.26 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.51 1x5n h ARG 89 CO 0.74 -0.06 0.25 -1.54 0.56 0.00 0.00 179.97 179.92 1x5n s SER 90 N -5.26 6.80 0.00 7.04 1.04 -1.26 -1.97 113.70 120.10 1x5n s SER 90 Ca -0.01 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.38 1x5n s SER 90 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.72 1x5n s SER 90 CO 0.04 -0.34 0.01 -0.76 0.98 0.00 0.00 173.24 173.17 1x5n s LEU 91 N 2.09 2.02 -0.51 2.42 1.43 0.23 -4.99 118.68 121.36 1x5n s LEU 91 Ca 0.33 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 1x5n s LEU 91 Cb -0.16 0.14 0.11 0.00 0.03 0.00 0.00 46.19 46.31 1x5n s LEU 91 CO 0.11 -0.16 0.45 -0.89 0.23 0.00 0.00 176.35 176.09 1x5n s THR 92 N -0.70 5.10 -0.01 5.49 2.01 -1.26 0.16 115.64 126.42 1x5n s THR 92 Ca -0.08 -1.40 -0.20 0.00 0.31 0.00 0.00 61.69 60.32 1x5n s THR 92 Cb -0.05 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1x5n s THR 92 CO -0.00 -0.77 0.56 -0.63 -0.69 0.00 0.00 174.62 173.09 1x5n s ILE 93 N 1.59 4.95 -0.39 1.82 1.01 0.33 0.19 121.20 130.70 1x5n s ILE 93 Ca 0.03 1.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.84 1x5n s ILE 93 Cb -0.28 -3.89 0.10 0.00 0.01 0.00 0.00 42.46 38.40 1x5n s ILE 93 CO 0.04 0.43 0.16 -0.44 0.00 0.00 0.00 174.94 175.13 1x5n s SER 94 N -0.22 5.15 0.37 3.58 0.01 0.12 0.15 113.70 122.87 1x5n s SER 94 Ca 0.30 -1.98 0.07 0.00 1.31 0.00 0.00 55.95 55.65 1x5n s SER 94 Cb -0.18 -1.79 -0.00 0.00 0.21 0.00 0.00 66.02 64.26 1x5n s SER 94 CO 0.16 -0.49 0.50 0.27 0.41 0.00 0.00 173.24 174.09 1x5n s ILE 95 N 1.11 3.58 -0.39 1.44 -4.36 -0.21 -2.25 121.20 120.13 1x5n s ILE 95 Ca 0.07 -1.02 0.06 0.00 -0.26 0.00 0.00 60.65 59.50 1x5n s ILE 95 Cb -0.22 -3.22 0.52 0.00 1.25 0.00 0.00 42.46 40.78 1x5n s ILE 95 CO -0.04 -0.09 1.61 0.52 0.24 0.00 0.00 174.94 177.17 1x5n n VAL 96 N -1.71 2.87 -3.04 8.37 0.31 -1.23 0.70 118.33 124.59 1x5n n VAL 96 Ca 0.03 -2.90 -0.01 0.00 -0.01 0.00 0.00 64.34 61.46 1x5n n VAL 96 Cb 0.59 -0.64 -0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 -1.03 -2.03 -3.78 3.52 0.00 -1.26 -3.40 120.51 112.54 1x5n n ALA 97 Ca 0.45 0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.86 1x5n n ALA 97 Cb 1.07 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 1.65 -2.45 0.29 0.00 0.00 -1.26 -4.88 120.51 113.85 1x5n n ALA 98 Ca -0.04 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 1x5n n ALA 98 Cb 0.29 -3.45 -0.05 0.00 0.00 0.00 0.00 19.45 16.24 1x5n n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5n h ALA 99 N 0.92 -1.09 -1.58 0.00 0.00 -1.28 -3.30 119.26 112.93 1x5n h ALA 99 Ca -0.66 -0.16 -0.73 0.00 0.00 0.00 0.00 54.91 53.35 1x5n h ALA 99 Cb 1.37 0.29 -0.32 0.00 0.00 0.00 0.00 17.79 19.12 1x5n h ALA 99 CO 0.51 -1.03 0.45 0.41 0.00 0.00 0.00 179.25 179.60 1x5n n GLY 100 N -1.04 5.94 0.24 0.00 0.00 -0.58 -4.72 105.19 105.04 1x5n n GLY 100 Ca -0.09 -2.65 0.13 0.00 0.00 0.00 0.00 46.02 43.41 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 3.70 0.00 0.00 1.61 3.08 -1.70 -2.34 114.38 118.74 1x5n h ARG 101 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1x5n h ARG 101 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1x5n h ARG 101 CO 1.07 0.12 0.00 1.05 -1.07 0.00 0.00 179.97 181.14 1x5n h GLU 102 N 0.00 0.00 0.00 0.04 4.11 -1.90 0.23 114.58 117.06 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 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1x5n h GLU 102 CO 0.02 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.38 1x5n n LEU 103 N -2.75 0.62 0.00 3.06 4.77 -0.88 -2.68 117.00 119.15 1x5n n LEU 103 Ca 0.03 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1x5n n LEU 103 Cb 0.39 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1x5n n LEU 103 CO 0.29 -0.68 -0.37 0.49 -1.33 0.00 0.00 177.39 175.79 1x5n n PHE 104 N -2.23 -0.02 -0.25 -1.77 3.72 -1.03 -4.81 117.46 111.06 1x5n n PHE 104 Ca 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.41 1x5n n PHE 104 Cb 0.17 0.11 0.06 0.00 -0.94 0.00 0.00 39.48 38.88 1x5n n PHE 104 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1x5n h MET 105 N 0.00 -0.05 -5.09 -1.08 2.86 -0.66 -3.38 114.93 107.53 1x5n h MET 105 Ca 0.00 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.22 1x5n h MET 105 Cb 0.75 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.34 1x5n h MET 105 CO 0.00 -0.03 1.72 2.41 1.06 0.00 0.00 176.91 182.07 1x5n n THR 106 N -5.47 -0.01 -0.57 2.22 -1.04 -1.09 -4.10 114.28 104.21 1x5n n THR 106 Ca 0.08 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1x5n n THR 106 Cb 0.37 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 1x5n n THR 106 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1x5n n ASP 107 N 10.22 -3.67 -3.95 8.00 -0.08 -1.26 -4.92 116.55 120.89 1x5n n ASP 107 Ca 0.62 0.48 -0.30 0.00 -1.51 0.00 0.00 54.79 54.07 1x5n n ASP 107 Cb 0.14 -1.11 -0.14 0.00 2.34 0.00 0.00 41.12 42.35 1x5n n ASP 107 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1x5n s ARG 108 N -5.11 1.70 -0.09 -0.67 3.52 -1.26 -4.95 118.95 112.09 1x5n s ARG 108 Ca 0.00 -2.26 -0.03 0.00 -0.13 0.00 0.00 55.73 53.31 1x5n s ARG 108 Cb 0.00 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.21 1x5n s ARG 108 CO 0.00 -1.05 0.12 1.03 -0.81 0.00 0.00 175.30 174.59 1x5n h SER 109 N 6.97 -0.07 -2.28 -2.12 0.87 -1.92 -3.50 113.55 111.51 1x5n h SER 109 Ca -0.06 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1x5n h SER 109 Cb 0.94 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1x5n h SER 109 CO 0.61 0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.96 1x5n n GLY 110 N 1.57 -1.86 3.77 5.77 0.00 -1.26 -5.08 105.19 108.10 1x5n n GLY 110 Ca -0.01 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1x5n n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5n s PRO 111 N -0.18 0.18 0.01 1.61 0.04 -1.26 -5.05 135.00 130.35 1x5n s PRO 111 Ca 0.00 -0.07 -0.04 0.00 0.04 0.00 0.00 61.00 60.93 1x5n s PRO 111 Cb 0.00 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 1x5n s PRO 111 CO 0.00 -2.78 -0.08 0.45 0.04 0.00 0.00 177.00 174.63 1x5n n SER 112 N -4.10 1.11 -3.54 6.66 2.88 -1.26 -5.01 113.62 110.36 1x5n n SER 112 Ca 0.12 0.16 -0.25 0.00 -1.33 0.00 0.00 58.87 57.57 1x5n n SER 112 Cb 0.59 -0.38 -0.15 0.00 -0.75 0.00 0.00 64.21 63.53 1x5n n SER 112 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5n s SER 113 N -5.89 2.47 0.00 -3.46 0.15 -1.26 -5.35 113.70 100.37 1x5n s SER 113 Ca -0.07 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 55.82 1x5n s SER 113 Cb 0.02 -0.08 0.08 0.00 -1.71 0.00 0.00 66.02 64.32 1x5n s SER 113 CO 0.10 -0.38 0.57 0.61 1.20 0.00 0.00 173.24 175.35