#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yry s SER 2 N 0.00 6.04 0.20 1.61 0.01 -1.26 -4.99 113.70 115.31 2yry s SER 2 Ca 0.00 1.29 -0.32 0.00 1.31 0.00 0.00 55.95 58.23 2yry s SER 2 Cb 0.00 -2.30 -0.12 0.00 0.21 0.00 0.00 66.02 63.81 2yry s SER 2 CO 0.00 -0.95 1.73 -0.94 0.41 0.00 0.00 173.24 173.48 2yry s SER 3 N -4.22 6.39 -0.18 2.44 1.04 -1.26 -4.18 113.70 113.74 2yry s SER 3 Ca 0.55 2.84 -0.10 0.00 0.48 0.00 0.00 55.95 59.73 2yry s SER 3 Cb -0.11 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.45 2yry s SER 3 CO 0.52 -0.97 0.19 0.61 0.98 0.00 0.00 173.24 174.58 2yry n GLY 4 N 4.00 -4.59 3.65 7.32 0.00 -1.26 -4.77 105.19 109.54 2yry n GLY 4 Ca 0.16 1.46 -0.53 0.00 0.00 0.00 0.00 46.02 47.11 2yry n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yry n SER 5 N 1.66 2.21 -0.02 1.61 7.64 -1.26 -4.89 113.62 120.57 2yry n SER 5 Ca -0.33 1.09 -0.07 0.00 1.01 0.00 0.00 58.87 60.57 2yry n SER 5 Cb 0.51 -1.20 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 2yry n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yry h SER 6 N 6.14 -0.06 0.00 6.43 0.02 -1.91 -3.50 113.55 120.66 2yry h SER 6 Ca -0.47 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 2yry h SER 6 Cb 1.32 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2yry h SER 6 CO 0.87 0.61 0.00 0.61 -1.14 0.00 0.00 176.83 177.78 2yry n GLY 7 N 1.40 -1.58 0.00 -3.77 0.00 -1.26 -5.17 105.19 94.80 2yry n GLY 7 Ca -0.05 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2yry n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yry n GLY 8 N 0.00 0.50 3.55 -0.02 0.00 -1.26 -4.86 105.19 103.10 2yry n GLY 8 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 2yry n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yry s LYS 9 N -5.28 3.68 1.01 1.61 -0.14 -1.26 -4.99 119.74 114.37 2yry s LYS 9 Ca 0.00 -1.40 -0.20 0.00 -1.36 0.00 0.00 55.97 53.00 2yry s LYS 9 Cb 0.00 -5.32 -0.09 0.00 -1.68 0.00 0.00 37.83 30.74 2yry s LYS 9 CO 0.00 -2.14 -0.71 0.54 -0.76 0.00 0.00 175.35 172.28 2yry n ARG 10 N 8.38 -0.34 -1.68 1.68 1.74 -1.26 -4.73 116.66 120.45 2yry n ARG 10 Ca 0.35 -0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.90 2yry n ARG 10 Cb 0.50 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.64 2yry n ARG 10 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2yry n SER 11 N 1.77 3.97 -4.26 0.55 3.41 -1.26 -4.95 113.62 112.84 2yry n SER 11 Ca -0.00 0.96 -0.40 0.00 -0.26 0.00 0.00 58.87 59.17 2yry n SER 11 Cb 0.63 -1.51 -0.10 0.00 -0.26 0.00 0.00 64.21 62.97 2yry n SER 11 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2yry s HIS 12 N 3.50 3.34 0.26 7.33 2.46 -1.26 -5.05 115.29 125.87 2yry s HIS 12 Ca 0.86 -1.55 -0.22 0.00 0.47 0.00 0.00 55.06 54.62 2yry s HIS 12 Cb -0.50 -2.84 0.03 0.00 -0.13 0.00 0.00 32.58 29.13 2yry s HIS 12 CO 0.41 -0.83 0.75 -1.54 -2.47 0.00 0.00 174.74 171.06 2yry s SER 13 N 1.96 -0.25 -0.04 9.88 1.04 -1.26 -5.17 113.70 119.86 2yry s SER 13 Ca 0.03 -0.57 0.05 0.00 0.48 0.00 0.00 55.95 55.94 2yry s SER 13 Cb -0.22 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 2yry s SER 13 CO 0.02 -1.28 -0.19 -0.04 0.98 0.00 0.00 173.24 172.73 2yry s MET 14 N -3.83 2.34 0.29 4.02 1.00 -1.26 -5.12 119.30 116.74 2yry s MET 14 Ca 0.11 -0.80 -0.16 0.00 0.00 0.00 0.00 55.69 54.84 2yry s MET 14 Cb -0.05 -2.23 0.02 0.00 0.00 0.00 0.00 34.83 32.56 2yry s MET 14 CO 0.06 0.59 0.62 -1.59 0.00 0.00 0.00 175.02 174.70 2yry s LYS 15 N -0.66 1.78 -0.11 2.03 -2.85 -1.26 -5.02 119.74 113.66 2yry s LYS 15 Ca 0.10 -1.22 -0.16 0.00 -1.00 0.00 0.00 55.97 53.70 2yry s LYS 15 Cb -0.10 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.17 2yry s LYS 15 CO -0.00 -0.79 0.39 0.50 0.10 0.00 0.00 175.35 175.55 2yry s ARG 16 N -3.63 4.20 -0.25 1.78 6.06 -1.26 -4.97 118.95 120.88 2yry s ARG 16 Ca 0.17 0.31 -0.09 0.00 -2.50 0.00 0.00 55.73 53.63 2yry s ARG 16 Cb -0.03 -3.38 -0.04 0.00 0.06 0.00 0.00 34.95 31.55 2yry s ARG 16 CO 0.10 0.31 0.12 1.21 -2.50 0.00 0.00 175.30 174.54 2yry s ASN 17 N 0.17 5.64 0.24 -2.12 3.84 -1.26 -4.96 114.94 116.48 2yry s ASN 17 Ca 0.22 -0.06 0.23 0.00 0.21 0.00 0.00 52.86 53.46 2yry s ASN 17 Cb -0.15 -2.02 0.95 0.00 -0.55 0.00 0.00 41.25 39.48 2yry s ASN 17 CO 0.09 -0.00 1.69 -0.81 -2.79 0.00 0.00 177.10 175.27 2yry n PRO 18 N 4.71 0.18 -0.01 0.43 -0.04 -1.26 -2.68 135.00 136.33 2yry n PRO 18 Ca -0.15 0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 63.58 2yry n PRO 18 Cb 0.52 -1.84 -0.14 0.00 -0.04 0.00 0.00 33.50 32.00 2yry n PRO 18 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2yry n ASN 19 N -2.18 1.37 -4.72 3.54 0.23 -1.26 -4.89 115.26 107.35 2yry n ASN 19 Ca 0.02 0.33 -0.42 0.00 -0.53 0.00 0.00 54.58 53.98 2yry n ASN 19 Cb 0.22 -0.37 -0.03 0.00 -2.08 0.00 0.00 39.78 37.52 2yry n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yry s ALA 20 N -2.58 3.59 0.27 -2.53 0.00 -1.09 -4.98 121.76 114.44 2yry s ALA 20 Ca -0.12 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 2yry s ALA 20 Cb 0.07 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 2yry s ALA 20 CO 0.80 -0.61 1.25 -1.25 0.00 0.00 0.00 175.76 175.96 2yry s PRO 21 N 0.80 4.44 -0.24 0.00 0.04 -1.26 -4.88 135.00 133.90 2yry s PRO 21 Ca 0.63 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.44 2yry s PRO 21 Cb -0.37 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 2yry s PRO 21 CO 0.32 -0.11 2.10 0.08 0.04 0.00 0.00 177.00 179.43 2yry s VAL 22 N -0.70 3.14 0.20 -0.36 1.01 -1.26 -4.65 120.40 117.78 2yry s VAL 22 Ca 0.50 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 2yry s VAL 22 Cb -0.37 -3.18 0.14 0.00 0.00 0.00 0.00 36.38 32.97 2yry s VAL 22 CO 0.45 -0.11 1.86 0.74 0.00 0.00 0.00 175.10 178.04 2yry h THR 23 N 7.00 1.14 -1.31 3.92 2.02 0.15 -3.45 112.91 122.38 2yry h THR 23 Ca -0.39 -0.31 0.15 0.00 0.77 0.00 0.00 66.41 66.63 2yry h THR 23 Cb 1.22 0.15 -0.30 0.00 -1.74 0.00 0.00 68.15 67.48 2yry h THR 23 CO 0.98 0.17 0.59 -0.75 0.37 0.00 0.00 175.52 176.87 2yry s LYS 24 N -6.13 0.23 0.02 6.66 2.20 -1.19 -4.99 119.74 116.54 2yry s LYS 24 Ca -0.13 0.37 0.04 0.00 -0.36 0.00 0.00 55.97 55.89 2yry s LYS 24 Cb 0.15 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 2yry s LYS 24 CO 0.77 -0.04 -0.13 0.00 -0.36 0.00 0.00 175.35 175.59 2yry s ALA 25 N 0.96 1.08 -0.28 3.13 0.00 -1.26 -0.67 121.76 124.72 2yry s ALA 25 Ca -0.05 -0.69 -0.28 0.00 0.00 0.00 0.00 51.96 50.94 2yry s ALA 25 Cb -0.03 -0.21 0.18 0.00 0.00 0.00 0.00 23.12 23.06 2yry s ALA 25 CO -0.12 0.23 1.33 0.20 0.00 0.00 0.00 175.76 177.40 2yry s GLY 26 N -0.76 0.12 -0.53 0.00 0.00 -0.56 -5.02 107.32 100.57 2yry s GLY 26 Ca 0.03 2.94 -0.28 0.00 0.00 0.00 0.00 44.72 47.41 2yry s GLY 26 CO 0.00 1.36 1.61 -0.98 0.00 0.00 0.00 173.10 175.10 2yry s TRP 27 N -0.68 2.02 0.47 1.90 0.52 -1.26 -2.51 118.94 119.40 2yry s TRP 27 Ca 0.07 0.59 0.06 0.00 0.02 0.00 0.00 56.10 56.84 2yry s TRP 27 Cb -0.02 -4.26 -0.01 0.00 -1.15 0.00 0.00 33.47 28.03 2yry s TRP 27 CO -0.09 -2.26 0.31 -0.51 0.02 0.00 0.00 176.95 174.43 2yry s LEU 28 N 7.03 3.01 -0.23 2.99 1.43 -1.10 -4.88 118.68 126.92 2yry s LEU 28 Ca 0.62 -1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2yry s LEU 28 Cb -0.14 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.61 2yry s LEU 28 CO 0.26 -0.80 -0.08 -0.36 0.23 0.00 0.00 176.35 175.60 2yry s PHE 29 N -2.64 3.00 -0.44 0.29 0.40 -1.15 -2.13 117.98 115.32 2yry s PHE 29 Ca 0.39 -1.48 -0.17 0.00 -0.60 0.00 0.00 56.93 55.08 2yry s PHE 29 Cb -0.00 -2.04 0.03 0.00 0.51 0.00 0.00 43.02 41.52 2yry s PHE 29 CO 0.23 -0.71 0.42 0.21 0.70 0.00 0.00 175.22 176.06 2yry s LYS 30 N 1.34 3.05 0.45 0.44 2.20 -0.83 -2.10 119.74 124.29 2yry s LYS 30 Ca 0.02 -0.93 -0.22 0.00 -0.36 0.00 0.00 55.97 54.47 2yry s LYS 30 Cb -0.16 -4.01 -0.11 0.00 -1.51 0.00 0.00 37.83 32.04 2yry s LYS 30 CO -0.06 -0.90 0.66 0.94 -0.36 0.00 0.00 175.35 175.64 2yry n GLN 31 N 5.50 0.74 -1.67 4.03 7.27 -1.20 -2.59 117.38 129.47 2yry n GLN 31 Ca -0.09 0.27 -0.42 0.00 0.07 0.00 0.00 57.00 56.83 2yry n GLN 31 Cb 0.46 -1.68 -0.03 0.00 2.41 0.00 0.00 30.24 31.41 2yry n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yry s ALA 32 N -1.46 3.27 0.18 1.69 0.00 -1.20 -4.85 121.76 119.38 2yry s ALA 32 Ca 0.64 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 2yry s ALA 32 Cb -0.57 -3.93 0.06 0.00 0.00 0.00 0.00 23.12 18.69 2yry s ALA 32 CO 0.57 -2.02 1.58 1.03 0.00 0.00 0.00 175.76 176.92 2yry h SER 33 N 12.17 0.98 -3.63 0.00 0.87 -1.91 -3.45 113.55 118.57 2yry h SER 33 Ca -0.46 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 59.66 2yry h SER 33 Cb 1.23 -0.27 -0.24 0.00 -0.44 0.00 0.00 62.40 62.69 2yry h SER 33 CO 0.95 1.13 -0.16 -0.55 -0.53 0.00 0.00 176.83 177.67 2yry s SER 34 N -6.71 -0.56 0.00 6.23 0.15 -1.26 -5.13 113.70 106.42 2yry s SER 34 Ca -0.11 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2yry s SER 34 Cb 0.13 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 2yry s SER 34 CO 0.86 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.73 2yry n GLY 35 N 3.36 -0.36 3.52 9.45 0.00 -1.26 -5.01 105.19 114.89 2yry n GLY 35 Ca -0.17 -1.98 -0.51 0.00 0.00 0.00 0.00 46.02 43.37 2yry n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2yry n VAL 36 N 0.00 0.99 -2.59 1.61 3.14 -1.26 -4.84 118.33 115.38 2yry n VAL 36 Ca 0.00 -0.25 -0.41 0.00 -2.96 0.00 0.00 64.34 60.72 2yry n VAL 36 Cb 0.00 -0.49 -0.03 0.00 -1.06 0.00 0.00 33.84 32.26 2yry n VAL 36 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2yry s LYS 37 N -0.49 3.19 -0.29 1.45 -0.14 -1.26 -4.75 119.74 117.45 2yry s LYS 37 Ca 0.74 -0.34 -0.21 0.00 -1.36 0.00 0.00 55.97 54.81 2yry s LYS 37 Cb -0.95 -4.21 0.14 0.00 -1.68 0.00 0.00 37.83 31.13 2yry s LYS 37 CO 0.54 -2.11 1.07 1.14 -0.76 0.00 0.00 175.35 175.24 2yry s GLN 38 N 5.49 0.37 0.17 1.68 -2.07 -1.26 -5.04 119.66 119.00 2yry s GLN 38 Ca 0.33 0.53 -0.30 0.00 -1.82 0.00 0.00 55.36 54.10 2yry s GLN 38 Cb -0.09 0.14 -0.08 0.00 -1.09 0.00 0.00 33.01 31.89 2yry s GLN 38 CO 0.14 -0.06 1.25 -1.58 -1.32 0.00 0.00 175.29 173.72 2yry s TRP 39 N 0.71 3.36 -0.23 9.60 0.52 -1.26 -3.26 118.94 128.38 2yry s TRP 39 Ca -0.02 1.31 -0.06 0.00 0.02 0.00 0.00 56.10 57.35 2yry s TRP 39 Cb -0.04 -3.50 -0.02 0.00 -1.15 0.00 0.00 33.47 28.75 2yry s TRP 39 CO -0.11 -1.51 0.03 -0.80 0.02 0.00 0.00 176.95 174.58 2yry s ASN 40 N 0.38 4.90 -0.03 2.95 0.02 -1.07 -4.92 114.94 117.17 2yry s ASN 40 Ca 0.56 -0.24 -0.30 0.00 -1.02 0.00 0.00 52.86 51.86 2yry s ASN 40 Cb -0.34 -1.86 -0.04 0.00 0.02 0.00 0.00 41.25 39.03 2yry s ASN 40 CO 0.36 -0.01 1.21 -0.75 0.02 0.00 0.00 177.10 177.93 2yry s LYS 41 N 1.43 4.36 0.04 -0.60 2.20 -1.26 -1.96 119.74 123.95 2yry s LYS 41 Ca 0.05 1.70 -0.08 0.00 -0.36 0.00 0.00 55.97 57.28 2yry s LYS 41 Cb -0.15 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2yry s LYS 41 CO 0.02 -0.42 0.15 1.03 -0.36 0.00 0.00 175.35 175.77 2yry s ARG 42 N 2.03 0.65 -0.12 4.03 1.81 -0.90 -5.00 118.95 121.44 2yry s ARG 42 Ca 0.57 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.59 2yry s ARG 42 Cb -0.26 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.49 2yry s ARG 42 CO 0.23 -0.18 1.24 -0.46 -0.68 0.00 0.00 175.30 175.45 2yry s TRP 43 N -2.60 2.99 -0.13 -0.53 -0.11 -0.99 -2.72 118.94 114.85 2yry s TRP 43 Ca -0.05 1.09 -0.04 0.00 1.22 0.00 0.00 56.10 58.33 2yry s TRP 43 Cb -0.01 -3.47 -0.03 0.00 -1.50 0.00 0.00 33.47 28.46 2yry s TRP 43 CO -0.04 -1.54 0.01 -0.06 -4.62 0.00 0.00 176.95 170.69 2yry s PHE 44 N 2.95 3.16 -0.03 5.86 0.40 -1.04 -0.84 117.98 128.44 2yry s PHE 44 Ca 0.55 0.04 -0.00 0.00 -0.60 0.00 0.00 56.93 56.92 2yry s PHE 44 Cb -0.23 -1.91 0.03 0.00 0.51 0.00 0.00 43.02 41.42 2yry s PHE 44 CO 0.18 0.26 0.02 0.08 0.70 0.00 0.00 175.22 176.46 2yry s VAL 45 N -0.24 0.03 -0.34 -0.44 1.01 0.89 -1.50 120.40 119.80 2yry s VAL 45 Ca 0.06 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2yry s VAL 45 Cb -0.12 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.09 2yry s VAL 45 CO 0.02 0.13 0.18 -0.22 0.00 0.00 0.00 175.10 175.21 2yry s LEU 46 N 1.27 4.40 -0.04 3.92 2.96 0.16 0.35 118.68 131.70 2yry s LEU 46 Ca -0.06 -0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 53.07 2yry s LEU 46 Cb -0.13 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.55 2yry s LEU 46 CO -0.03 -0.28 0.13 -0.69 -1.32 0.00 0.00 176.35 174.17 2yry s VAL 47 N 1.59 0.02 -1.24 1.68 1.01 -0.41 0.90 120.40 123.95 2yry s VAL 47 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 2yry s VAL 47 Cb -0.18 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.95 2yry s VAL 47 CO 0.07 -0.10 0.93 -0.67 0.00 0.00 0.00 175.10 175.33 2yry n ASP 48 N 2.63 -2.04 -4.06 3.32 -0.08 -1.26 -2.39 116.55 112.66 2yry n ASP 48 Ca -0.15 -0.67 -0.28 0.00 -1.51 0.00 0.00 54.79 52.18 2yry n ASP 48 Cb 0.58 -4.84 -0.04 0.00 2.34 0.00 0.00 41.12 39.17 2yry n ASP 48 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2yry n ARG 49 N -4.21 -2.77 -3.47 -0.67 0.00 -1.26 -4.94 116.66 99.33 2yry n ARG 49 Ca -0.28 0.33 -0.14 0.00 -0.00 0.00 0.00 57.85 57.77 2yry n ARG 49 Cb 0.67 -4.40 -0.03 0.00 0.00 0.00 0.00 32.46 28.69 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2yry s LEU 51 N -2.26 4.24 -0.11 0.00 0.20 -1.18 -1.29 118.68 118.27 2yry s LEU 51 Ca -0.03 0.30 -0.01 0.00 0.69 0.00 0.00 54.13 55.08 2yry s LEU 51 Cb -0.01 -2.07 0.03 0.00 -0.43 0.00 0.00 46.19 43.71 2yry s LEU 51 CO -0.06 0.26 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.85 2yry s PHE 52 N -0.10 1.25 -0.23 5.38 0.08 0.16 -2.28 117.98 122.24 2yry s PHE 52 Ca 0.10 -0.61 -0.07 0.00 0.12 0.00 0.00 56.93 56.48 2yry s PHE 52 Cb -0.11 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2yry s PHE 52 CO 0.00 -0.47 0.05 1.52 -0.10 0.00 0.00 175.22 176.22 2yry s TYR 53 N 1.78 3.09 0.17 0.36 -0.85 -1.26 -0.08 117.35 120.56 2yry s TYR 53 Ca 0.04 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.29 2yry s TYR 53 Cb -0.13 -2.18 -0.04 0.00 0.38 0.00 0.00 41.96 40.00 2yry s TYR 53 CO -0.07 -0.27 -0.04 0.71 -1.52 0.00 0.00 175.55 174.36 2yry s TYR 54 N 1.30 2.77 0.35 -3.49 1.51 -0.02 -3.38 117.35 116.39 2yry s TYR 54 Ca 0.05 -0.16 0.08 0.00 -1.01 0.00 0.00 57.07 56.02 2yry s TYR 54 Cb -0.15 -1.36 0.79 0.00 -0.11 0.00 0.00 41.96 41.14 2yry s TYR 54 CO 0.03 0.51 1.86 1.57 -1.11 0.00 0.00 175.55 178.41 2yry h LYS 55 N 2.87 0.70 -3.90 -0.62 2.10 -1.86 -2.63 116.57 113.23 2yry h LYS 55 Ca -0.47 -0.04 -0.22 0.00 -2.00 0.00 0.00 60.65 57.92 2yry h LYS 55 Cb 1.20 -0.16 -0.07 0.00 -0.90 0.00 0.00 32.23 32.31 2yry h LYS 55 CO 0.56 0.46 -0.11 -0.51 -2.00 0.00 0.00 179.45 177.86 2yry s ASP 56 N -5.77 0.70 0.63 7.07 1.11 -1.26 -4.50 116.67 114.66 2yry s ASP 56 Ca -0.10 -1.39 0.36 0.00 0.18 0.00 0.00 52.55 51.60 2yry s ASP 56 Cb 0.22 0.69 2.06 0.00 1.07 0.00 0.00 42.92 46.96 2yry s ASP 56 CO 0.79 -1.36 2.25 -0.33 1.18 0.00 0.00 175.17 177.70 2yry h GLU 57 N 2.10 0.00 -0.92 8.23 5.08 -1.95 -1.84 114.58 125.28 2yry h GLU 57 Ca -0.29 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.23 2yry h GLU 57 Cb 1.24 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.42 2yry h GLU 57 CO 0.39 0.00 0.59 0.87 -1.00 0.00 0.00 179.01 179.86 2yry h LYS 58 N 0.00 0.67 -4.77 2.33 1.57 -1.96 -3.45 116.57 110.95 2yry h LYS 58 Ca 0.01 -0.04 -0.36 0.00 -1.87 0.00 0.00 60.65 58.39 2yry h LYS 58 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2yry h LYS 58 CO -0.00 0.44 -0.53 0.39 -0.57 0.00 0.00 179.45 179.19 2yry n GLU 59 N -4.58 -3.56 0.13 3.15 1.02 -0.69 -4.87 120.64 111.23 2yry n GLU 59 Ca 0.18 0.64 -0.16 0.00 -0.02 0.00 0.00 57.16 57.81 2yry n GLU 59 Cb 0.50 -5.38 -0.10 0.00 -0.02 0.00 0.00 31.44 26.45 2yry n GLU 59 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2yry h GLU 60 N -0.88 -0.74 -4.47 3.49 4.39 -1.88 -3.43 114.58 111.06 2yry h GLU 60 Ca -0.44 0.05 -0.34 0.00 0.34 0.00 0.00 59.36 58.98 2yry h GLU 60 Cb 1.30 0.17 -0.28 0.00 -0.10 0.00 0.00 28.75 29.84 2yry h GLU 60 CO 0.51 -0.49 -0.76 -1.12 -1.16 0.00 0.00 179.01 175.99 2yry s SER 61 N -4.64 0.78 -0.08 1.42 0.01 -1.26 -5.11 113.70 104.82 2yry s SER 61 Ca -0.17 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 2yry s SER 61 Cb 0.06 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.18 2yry s SER 61 CO 0.61 0.04 1.59 -0.63 0.41 0.00 0.00 173.24 175.27 2yry s ILE 62 N -0.31 3.70 0.09 1.44 1.01 -1.26 -4.71 121.20 121.15 2yry s ILE 62 Ca 0.01 0.85 -0.15 0.00 0.00 0.00 0.00 60.65 61.36 2yry s ILE 62 Cb -0.03 -3.56 -0.14 0.00 0.01 0.00 0.00 42.46 38.74 2yry s ILE 62 CO -0.00 -0.09 1.32 -0.07 0.00 0.00 0.00 174.94 176.10 2yry h LEU 63 N 10.27 0.81 -6.15 2.97 3.38 -1.96 -3.46 115.31 121.17 2yry h LEU 63 Ca -0.37 -0.59 0.24 0.00 0.09 0.00 0.00 57.88 57.25 2yry h LEU 63 Cb 1.16 -0.24 -0.24 0.00 0.09 0.00 0.00 40.66 41.43 2yry h LEU 63 CO 0.96 1.25 0.34 -0.83 0.09 0.00 0.00 178.44 180.26 2yry s GLY 64 N -3.94 -0.01 0.20 0.83 0.00 -1.26 -5.10 107.32 98.04 2yry s GLY 64 Ca -0.12 3.26 -0.27 0.00 0.00 0.00 0.00 44.72 47.60 2yry s GLY 64 CO 0.86 3.51 0.83 -0.56 0.00 0.00 0.00 173.10 177.74 2yry s SER 65 N 2.45 7.46 -0.15 1.64 0.01 -1.26 -4.11 113.70 119.74 2yry s SER 65 Ca -0.02 1.74 -0.01 0.00 1.31 0.00 0.00 55.95 58.97 2yry s SER 65 Cb -0.05 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.69 2yry s SER 65 CO -0.14 0.18 -0.05 -0.63 0.41 0.00 0.00 173.24 173.01 2yry s ILE 66 N -1.19 1.01 0.19 1.44 1.01 -0.96 -5.05 121.20 117.64 2yry s ILE 66 Ca 0.38 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2yry s ILE 66 Cb -0.24 -1.17 -0.09 0.00 0.01 0.00 0.00 42.46 40.98 2yry s ILE 66 CO 0.28 0.16 1.31 -2.16 0.00 0.00 0.00 174.94 174.53 2yry s PRO 67 N 1.69 4.39 -0.03 2.79 0.04 -1.26 -3.09 135.00 139.53 2yry s PRO 67 Ca 0.02 2.04 0.11 0.00 0.04 0.00 0.00 61.00 63.21 2yry s PRO 67 Cb -0.15 -3.20 -0.16 0.00 0.04 0.00 0.00 34.50 31.03 2yry s PRO 67 CO -0.08 -0.26 0.21 1.28 0.04 0.00 0.00 177.00 178.20 2yry n LEU 68 N 2.71 0.00 0.21 -3.56 4.77 -1.26 -4.47 117.00 115.40 2yry n LEU 68 Ca 0.06 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 2yry n LEU 68 Cb 0.43 0.03 0.45 0.00 -2.33 0.00 0.00 43.42 42.00 2yry n LEU 68 CO 0.58 0.03 0.88 0.17 -1.33 0.00 0.00 177.39 177.72 2yry h LEU 69 N 0.00 0.00 0.00 2.23 -0.00 -1.73 0.30 115.31 116.11 2yry h LEU 69 Ca -0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.49 2yry h LEU 69 Cb 0.64 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.23 2yry h LEU 69 CO 0.00 0.00 -2.35 -1.20 -0.00 0.00 0.00 178.44 174.89 2yry n SER 70 N -2.26 0.60 -4.89 0.17 7.64 -1.26 -4.43 113.62 109.20 2yry n SER 70 Ca -0.01 -0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.55 2yry n SER 70 Cb 0.35 0.69 0.09 0.00 -1.01 0.00 0.00 64.21 64.34 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2yry s PHE 71 N -2.47 2.93 -0.48 1.43 0.40 0.11 -4.44 117.98 115.44 2yry s PHE 71 Ca -0.15 0.79 0.08 0.00 -0.60 0.00 0.00 56.93 57.05 2yry s PHE 71 Cb 0.06 -3.45 0.30 0.00 0.51 0.00 0.00 43.02 40.44 2yry s PHE 71 CO 0.75 -1.80 0.74 -2.13 0.70 0.00 0.00 175.22 173.47 2yry n ARG 72 N -3.35 1.80 -0.92 0.44 0.63 -0.04 -4.37 116.66 110.86 2yry n ARG 72 Ca 0.08 -3.98 -0.30 0.00 -0.92 0.00 0.00 57.85 52.72 2yry n ARG 72 Cb 0.60 -1.83 -0.01 0.00 0.45 0.00 0.00 32.46 31.67 2yry n ARG 72 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2yry n VAL 73 N 0.55 0.80 -3.64 5.15 0.31 -1.26 -4.40 118.33 115.85 2yry n VAL 73 Ca 0.27 -0.34 0.01 0.00 -0.01 0.00 0.00 64.34 64.26 2yry n VAL 73 Cb 0.51 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.38 2yry n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yry s ALA 74 N -0.97 -2.53 0.62 3.52 0.00 -0.96 -4.75 121.76 116.69 2yry s ALA 74 Ca 0.42 2.07 -0.17 0.00 0.00 0.00 0.00 51.96 54.27 2yry s ALA 74 Cb -0.52 -1.89 -0.15 0.00 0.00 0.00 0.00 23.12 20.57 2yry s ALA 74 CO 0.41 -0.34 -0.30 0.00 0.00 0.00 0.00 175.76 175.53 2yry n ALA 75 N 3.37 -3.68 -0.84 0.00 0.00 -1.26 -1.47 120.51 116.63 2yry n ALA 75 Ca -0.17 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 2yry n ALA 75 Cb 0.57 -1.30 0.17 0.00 0.00 0.00 0.00 19.45 18.89 2yry n ALA 75 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2yry n VAL 76 N -1.72 0.00 -4.19 0.00 0.24 0.80 -4.50 118.33 108.96 2yry n VAL 76 Ca 0.05 -0.20 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 2yry n VAL 76 Cb 0.48 -0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 31.79 2yry n VAL 76 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2yry s GLN 77 N -4.52 0.92 0.00 7.34 -1.52 -1.26 -5.00 119.66 115.62 2yry s GLN 77 Ca 0.45 -1.40 0.15 0.00 -1.95 0.00 0.00 55.36 52.61 2yry s GLN 77 Cb -0.06 -0.15 0.79 0.00 -0.22 0.00 0.00 33.01 33.37 2yry s GLN 77 CO 0.36 -0.09 1.39 -0.35 -0.25 0.00 0.00 175.29 176.35 2yry n PRO 78 N -0.10 0.28 0.03 2.91 -0.04 -1.26 -2.02 135.00 134.79 2yry n PRO 78 Ca -0.10 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 2yry n PRO 78 Cb 0.62 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.51 2yry n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yry n SER 79 N -1.22 0.45 -4.85 3.54 2.88 -1.26 -4.94 113.62 108.22 2yry n SER 79 Ca 0.08 -0.05 -0.32 0.00 -1.33 0.00 0.00 58.87 57.25 2yry n SER 79 Cb 0.10 1.21 -0.01 0.00 -0.75 0.00 0.00 64.21 64.76 2yry n SER 79 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2yry s ASP 80 N -4.44 6.41 -0.18 -3.46 1.01 -0.86 -4.94 116.67 110.21 2yry s ASP 80 Ca -0.02 1.53 -0.04 0.00 0.71 0.00 0.00 52.55 54.73 2yry s ASP 80 Cb 0.13 -2.50 -0.07 0.00 1.01 0.00 0.00 42.92 41.50 2yry s ASP 80 CO 0.85 -0.74 2.93 -0.46 0.21 0.00 0.00 175.17 177.96 2yry n ASN 81 N -2.07 5.79 -4.53 0.27 6.94 -1.26 -4.87 115.26 115.53 2yry n ASN 81 Ca 0.06 -2.77 -0.35 0.00 -0.02 0.00 0.00 54.58 51.51 2yry n ASN 81 Cb 0.54 -1.27 -0.11 0.00 -2.36 0.00 0.00 39.78 36.57 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2yry s ILE 82 N -0.57 4.37 -0.20 1.53 -1.09 -1.26 -4.99 121.20 118.99 2yry s ILE 82 Ca 0.50 -0.17 -0.08 0.00 -2.23 0.00 0.00 60.65 58.67 2yry s ILE 82 Cb 0.28 -2.98 -0.20 0.00 -1.58 0.00 0.00 42.46 37.98 2yry s ILE 82 CO -0.07 0.43 0.04 -0.24 -1.23 0.00 0.00 174.94 173.87 2yry n SER 83 N 3.99 2.01 -4.75 3.58 2.88 -1.26 -4.93 113.62 115.14 2yry n SER 83 Ca -0.17 0.16 -0.41 0.00 -1.33 0.00 0.00 58.87 57.12 2yry n SER 83 Cb 0.52 -0.73 -0.02 0.00 -0.75 0.00 0.00 64.21 63.23 2yry n SER 83 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2yry s ARG 84 N -2.51 4.26 0.53 -1.46 0.52 -1.26 -5.01 118.95 114.02 2yry s ARG 84 Ca -0.30 2.33 -0.06 0.00 -0.52 0.00 0.00 55.73 57.17 2yry s ARG 84 Cb 0.09 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2yry s ARG 84 CO 0.64 -0.43 0.84 0.15 0.02 0.00 0.00 175.30 176.53 2yry s LYS 85 N -0.50 3.39 -0.75 3.54 1.02 -1.26 -4.42 119.74 120.77 2yry s LYS 85 Ca 0.59 0.21 -0.00 0.00 0.02 0.00 0.00 55.97 56.79 2yry s LYS 85 Cb -0.42 -2.31 -0.00 0.00 -0.52 0.00 0.00 37.83 34.57 2yry s LYS 85 CO 0.45 -0.37 0.62 0.72 -0.92 0.00 0.00 175.35 175.84 2yry n HIS 86 N -2.40 -1.37 -4.51 3.18 8.25 -1.26 -4.44 115.22 112.67 2yry n HIS 86 Ca 0.02 0.58 -0.27 0.00 -0.26 0.00 0.00 57.72 57.80 2yry n HIS 86 Cb 0.56 -3.91 -0.13 0.00 1.12 0.00 0.00 29.99 27.62 2yry n HIS 86 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2yry s THR 87 N -3.23 1.97 -0.05 1.59 2.01 -1.26 -0.48 115.64 116.19 2yry s THR 87 Ca 0.01 -1.52 0.02 0.00 0.31 0.00 0.00 61.69 60.51 2yry s THR 87 Cb -0.00 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.79 2yry s THR 87 CO 0.46 0.12 -0.08 0.72 -0.69 0.00 0.00 174.62 175.14 2yry s PHE 88 N -0.99 1.06 -0.13 4.92 -0.71 0.38 -0.14 117.98 122.36 2yry s PHE 88 Ca 0.10 -0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 55.61 2yry s PHE 88 Cb -0.10 -0.81 -0.04 0.00 -1.21 0.00 0.00 43.02 40.86 2yry s PHE 88 CO 0.04 -0.20 0.04 -1.59 -1.34 0.00 0.00 175.22 172.17 2yry s LYS 89 N 0.63 3.46 -0.16 1.99 -2.85 -0.54 -0.96 119.74 121.31 2yry s LYS 89 Ca -0.11 -0.36 -0.05 0.00 -1.00 0.00 0.00 55.97 54.45 2yry s LYS 89 Cb -0.14 -3.00 -0.03 0.00 -2.06 0.00 0.00 37.83 32.60 2yry s LYS 89 CO 0.02 0.51 0.01 0.00 0.10 0.00 0.00 175.35 175.99 2yry s ALA 90 N -0.34 3.19 -0.02 0.59 0.00 -0.00 -2.27 121.76 122.92 2yry s ALA 90 Ca 0.08 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2yry s ALA 90 Cb -0.12 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.33 2yry s ALA 90 CO 0.02 0.25 -0.02 -2.00 0.00 0.00 0.00 175.76 174.01 2yry s GLU 91 N 0.20 0.35 -0.00 0.00 2.12 -1.26 0.86 118.70 120.96 2yry s GLU 91 Ca 0.01 -0.04 0.22 0.00 0.36 0.00 0.00 54.97 55.52 2yry s GLU 91 Cb -0.13 -0.42 -0.25 0.00 0.26 0.00 0.00 34.13 33.59 2yry s GLU 91 CO 0.02 -0.03 0.68 1.58 -0.54 0.00 0.00 175.26 176.97 2yry n HIS 92 N 3.59 0.07 -2.78 5.30 -0.00 -1.20 -0.86 115.22 119.34 2yry n HIS 92 Ca -0.20 0.02 -0.11 0.00 -0.00 0.00 0.00 57.72 57.43 2yry n HIS 92 Cb 0.54 -0.37 0.03 0.00 -0.00 0.00 0.00 29.99 30.19 2yry n HIS 92 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yry n ALA 93 N -1.99 -0.52 0.00 1.57 0.00 -1.26 -4.77 120.51 113.54 2yry n ALA 93 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2yry n ALA 93 Cb 0.49 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2yry n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yry n GLY 94 N -1.15 0.02 0.41 0.00 0.00 -1.26 -5.03 105.19 98.18 2yry n GLY 94 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 2yry n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yry n VAL 95 N -0.38 0.86 -3.93 1.61 0.31 -1.26 -5.14 118.33 110.39 2yry n VAL 95 Ca 0.00 0.27 0.01 0.00 -0.01 0.00 0.00 64.34 64.61 2yry n VAL 95 Cb 0.00 -1.78 0.01 0.00 -0.91 0.00 0.00 33.84 31.16 2yry n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yry s ARG 96 N -1.97 0.56 -0.28 5.55 1.70 -1.26 -5.07 118.95 118.18 2yry s ARG 96 Ca -0.11 -0.36 0.02 0.00 -0.47 0.00 0.00 55.73 54.82 2yry s ARG 96 Cb 0.02 0.16 0.07 0.00 -0.57 0.00 0.00 34.95 34.63 2yry s ARG 96 CO 0.17 -0.26 -0.04 0.99 -1.08 0.00 0.00 175.30 175.08 2yry s THR 97 N -2.09 1.96 0.78 4.99 2.01 -1.26 -3.23 115.64 118.79 2yry s THR 97 Ca 0.27 -1.73 -0.11 0.00 0.31 0.00 0.00 61.69 60.43 2yry s THR 97 Cb -0.00 -2.24 0.07 0.00 0.01 0.00 0.00 72.50 70.34 2yry s THR 97 CO 0.00 -0.26 1.13 -0.31 -0.69 0.00 0.00 174.62 174.50 2yry s TYR 98 N 1.15 2.95 -0.02 4.92 2.02 0.25 -4.85 117.35 123.78 2yry s TYR 98 Ca -0.01 0.67 -0.01 0.00 -0.37 0.00 0.00 57.07 57.35 2yry s TYR 98 Cb -0.19 -3.41 0.01 0.00 -0.40 0.00 0.00 41.96 37.97 2yry s TYR 98 CO -0.08 -1.67 0.04 -0.06 -1.57 0.00 0.00 175.55 172.21 2yry s PHE 99 N -3.48 -0.03 -0.07 2.71 0.40 -1.26 -0.82 117.98 115.43 2yry s PHE 99 Ca 0.61 0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 57.03 2yry s PHE 99 Cb -0.11 -0.03 0.03 0.00 0.51 0.00 0.00 43.02 43.43 2yry s PHE 99 CO 0.48 -0.03 0.05 -0.06 0.70 0.00 0.00 175.22 176.36 2yry s PHE 100 N 0.20 0.20 0.12 0.36 0.08 -0.14 -3.22 117.98 115.58 2yry s PHE 100 Ca -0.02 0.09 -0.03 0.00 0.12 0.00 0.00 56.93 57.09 2yry s PHE 100 Cb -0.02 -0.57 -0.05 0.00 -0.57 0.00 0.00 43.02 41.80 2yry s PHE 100 CO -0.01 -0.26 0.33 0.45 -0.10 0.00 0.00 175.22 175.63 2yry s SER 101 N 2.13 6.45 -0.12 1.36 0.15 -0.89 -0.47 113.70 122.30 2yry s SER 101 Ca 0.04 0.49 0.01 0.00 0.70 0.00 0.00 55.95 57.19 2yry s SER 101 Cb -0.13 -2.05 0.02 0.00 -1.71 0.00 0.00 66.02 62.15 2yry s SER 101 CO -0.04 0.09 -0.14 0.00 1.20 0.00 0.00 173.24 174.34 2yry s ALA 102 N -1.62 1.70 0.29 5.45 0.00 0.36 -2.95 121.76 125.00 2yry s ALA 102 Ca 0.39 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2yry s ALA 102 Cb -0.12 -0.91 0.74 0.00 0.00 0.00 0.00 23.12 22.82 2yry s ALA 102 CO 0.26 -0.22 1.67 0.93 0.00 0.00 0.00 175.76 178.40 2yry h GLU 103 N 7.72 0.30 -6.44 0.00 5.08 -1.86 -3.41 114.58 115.96 2yry h GLU 103 Ca -0.34 -0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.39 2yry h GLU 103 Cb 1.16 -0.07 -0.19 0.00 0.50 0.00 0.00 28.75 30.15 2yry h GLU 103 CO 0.50 0.20 -0.82 -1.54 -1.00 0.00 0.00 179.01 176.35 2yry s SER 104 N -5.12 3.18 0.49 1.42 1.04 -1.26 -4.99 113.70 108.46 2yry s SER 104 Ca -0.12 -0.84 0.28 0.00 0.48 0.00 0.00 55.95 55.75 2yry s SER 104 Cb 0.26 -0.22 1.17 0.00 0.10 0.00 0.00 66.02 67.33 2yry s SER 104 CO 0.78 0.08 1.93 1.55 0.98 0.00 0.00 173.24 178.56 2yry h PRO 105 N 3.33 0.00 0.00 4.02 0.13 -1.90 -2.62 132.00 134.97 2yry h PRO 105 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2yry h PRO 105 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2yry h PRO 105 CO 0.47 0.14 0.00 0.93 -0.23 0.00 0.00 178.00 179.31 2yry h GLU 106 N 0.00 0.00 0.00 0.86 3.07 -1.95 -2.91 114.58 113.64 2yry h GLU 106 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2yry h GLU 106 Cb 0.59 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2yry h GLU 106 CO 0.02 0.00 -0.14 0.93 -1.40 0.00 0.00 179.01 178.42 2yry h GLU 107 N 0.00 0.00 0.41 2.33 5.08 -1.85 -3.27 114.58 117.27 2yry h GLU 107 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2yry h GLU 107 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2yry h GLU 107 CO 0.00 0.59 -0.31 0.37 -1.00 0.00 0.00 179.01 178.66 2yry h GLN 108 N -1.00 -0.67 -0.95 2.33 4.15 -1.61 0.10 115.11 117.46 2yry h GLN 108 Ca -0.03 0.05 0.31 0.00 0.77 0.00 0.00 58.65 59.75 2yry h GLN 108 Cb 0.65 0.15 -0.17 0.00 0.21 0.00 0.00 27.48 28.31 2yry h GLN 108 CO -0.02 -0.45 0.21 -0.85 -1.93 0.00 0.00 178.83 175.80 2yry n GLU 109 N -4.29 -0.07 0.06 1.69 0.28 -1.10 0.22 120.64 117.43 2yry n GLU 109 Ca -0.08 1.38 -0.07 0.00 -0.16 0.00 0.00 57.16 58.22 2yry n GLU 109 Cb 0.30 -2.30 0.08 0.00 1.43 0.00 0.00 31.44 30.95 2yry n GLU 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2yry h ALA 110 N 1.90 0.73 -0.34 -1.84 0.00 -1.52 -3.09 119.26 115.10 2yry h ALA 110 Ca 0.67 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2yry h ALA 110 Cb 1.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2yry h ALA 110 CO -0.83 0.74 -0.19 -1.49 0.00 0.00 0.00 179.25 177.48 2yry h TRP 111 N 0.25 0.85 -1.00 0.00 4.06 0.54 -3.08 115.95 117.57 2yry h TRP 111 Ca -0.01 -0.22 0.06 0.00 2.06 0.00 0.00 58.89 60.78 2yry h TRP 111 Cb 1.18 -0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 29.08 2yry h TRP 111 CO 0.03 0.95 0.65 0.82 -3.56 0.00 0.00 178.44 177.33 2yry h ILE 112 N 0.51 1.12 -0.55 1.49 2.04 -0.49 0.33 117.51 121.96 2yry h ILE 112 Ca 0.07 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.61 2yry h ILE 112 Cb 0.74 -0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 2yry h ILE 112 CO 0.06 0.22 0.14 1.56 0.00 0.00 0.00 178.15 180.13 2yry h GLN 113 N 1.20 0.28 0.00 2.37 4.20 -1.45 1.32 115.11 123.03 2yry h GLN 113 Ca 0.42 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 2yry h GLN 113 Cb 0.11 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2yry h GLN 113 CO -0.16 0.19 -0.03 0.00 -0.67 0.00 0.00 178.83 178.16 2yry h ALA 114 N 1.42 0.00 0.90 3.87 0.00 -1.44 -3.07 119.26 120.94 2yry h ALA 114 Ca 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2yry h ALA 114 Cb 0.38 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2yry h ALA 114 CO -0.34 0.02 -0.46 0.52 0.00 0.00 0.00 179.25 178.99 2yry h MET 115 N -1.00 -1.20 -0.55 0.00 2.86 -0.33 0.24 114.93 114.95 2yry h MET 115 Ca -0.00 0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.83 2yry h MET 115 Cb 0.35 0.27 -0.11 0.00 0.06 0.00 0.00 31.60 32.17 2yry h MET 115 CO -0.00 -0.80 -0.20 0.78 1.06 0.00 0.00 176.91 177.75 2yry h GLY 116 N -1.25 0.25 0.84 8.32 0.00 0.16 0.11 103.07 111.50 2yry h GLY 116 Ca -0.12 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 2yry h GLY 116 CO 0.19 -0.22 -0.21 0.83 0.00 0.00 0.00 176.54 177.12 2yry h GLU 117 N -0.07 -0.58 -0.14 4.80 5.08 -1.46 -2.38 114.58 119.84 2yry h GLU 117 Ca 0.26 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 2yry h GLU 117 Cb 0.47 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2yry h GLU 117 CO -0.60 -0.31 0.38 0.00 -1.00 0.00 0.00 179.01 177.48 2yry h ALA 118 N -0.30 1.61 0.09 3.43 0.00 0.00 -0.08 119.26 124.02 2yry h ALA 118 Ca -0.06 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2yry h ALA 118 Cb 0.54 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.36 2yry h ALA 118 CO 0.10 -0.45 -0.66 0.00 0.00 0.00 0.00 179.25 178.24 2yry h ALA 119 N 1.37 -0.04 -1.72 0.00 0.00 -0.31 -3.30 119.26 115.25 2yry h ALA 119 Ca 0.07 -0.64 -0.62 0.00 0.00 0.00 0.00 54.91 53.72 2yry h ALA 119 Cb 0.83 0.07 0.16 0.00 0.00 0.00 0.00 17.79 18.84 2yry h ALA 119 CO -0.00 0.32 -0.90 0.54 0.00 0.00 0.00 179.25 179.21 2yry n ARG 120 N -4.21 0.05 -2.20 0.00 1.74 -0.04 -4.00 116.66 107.99 2yry n ARG 120 Ca -0.12 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 2yry n ARG 120 Cb 0.74 -1.05 0.01 0.00 -1.02 0.00 0.00 32.46 31.14 2yry n ARG 120 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2yry n VAL 121 N -1.02 2.57 1.29 1.55 0.31 -1.26 -4.90 118.33 116.87 2yry n VAL 121 Ca 0.11 -4.51 0.13 0.00 -0.01 0.00 0.00 64.34 60.07 2yry n VAL 121 Cb 0.40 -1.21 0.35 0.00 -0.91 0.00 0.00 33.84 32.47 2yry n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51