#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 2.44 -0.05 1.61 1.04 -1.26 -5.13 113.70 112.35 2yry s SER 2 Ca 0.00 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.07 2yry s SER 2 Cb 0.00 -0.71 -0.00 0.00 0.10 0.00 0.00 66.02 65.41 2yry s SER 2 CO 0.00 0.18 -0.17 -0.55 0.98 0.00 0.00 173.24 173.68 2yry s SER 3 N 0.02 2.15 0.00 7.02 0.15 -1.26 -5.13 113.70 116.66 2yry s SER 3 Ca -0.05 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2yry s SER 3 Cb -0.13 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 2yry s SER 3 CO 0.03 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2yry n GLY 4 N 3.25 3.32 3.52 9.45 0.00 -1.26 -5.14 105.19 118.33 2yry n GLY 4 Ca -0.19 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2yry n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yry n SER 5 N -0.73 0.04 -4.44 1.61 2.88 -1.26 -5.00 113.62 106.72 2yry n SER 5 Ca 0.00 0.98 -0.22 0.00 -1.33 0.00 0.00 58.87 58.31 2yry n SER 5 Cb 0.00 -1.20 -0.10 0.00 -0.75 0.00 0.00 64.21 62.15 2yry n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yry s SER 6 N -0.85 3.03 0.00 -3.46 1.04 -1.26 -5.07 113.70 107.13 2yry s SER 6 Ca 0.63 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2yry s SER 6 Cb -0.61 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.29 2yry s SER 6 CO 0.57 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2yry n GLY 7 N -0.59 -0.13 3.07 7.32 0.00 -1.26 -5.13 105.19 108.47 2yry n GLY 7 Ca -0.06 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 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 1.07 2.75 -0.02 0.00 -1.26 -5.12 105.19 102.61 2yry n GLY 8 Ca 0.00 -2.07 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 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 -4.39 0.10 0.28 1.61 1.02 -1.26 -5.15 119.74 111.95 2yry s LYS 9 Ca 0.51 0.27 -0.04 0.00 0.02 0.00 0.00 55.97 56.73 2yry s LYS 9 Cb -0.03 -1.01 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 2yry s LYS 9 CO 0.33 -0.53 0.37 1.03 -0.92 0.00 0.00 175.35 175.63 2yry s ARG 10 N 2.27 1.62 -0.40 1.68 0.52 -1.26 -5.07 118.95 118.31 2yry s ARG 10 Ca 0.04 -1.61 0.05 0.00 -0.52 0.00 0.00 55.73 53.70 2yry s ARG 10 Cb -0.14 0.40 0.44 0.00 0.52 0.00 0.00 34.95 36.16 2yry s ARG 10 CO -0.09 -0.64 1.20 0.43 0.02 0.00 0.00 175.30 176.23 2yry n SER 11 N -0.84 4.98 -0.13 0.23 7.64 -1.26 -4.85 113.62 119.39 2yry n SER 11 Ca 0.01 -3.74 -0.05 0.00 1.01 0.00 0.00 58.87 56.11 2yry n SER 11 Cb 0.63 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.40 2yry n SER 11 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2yry h HIS 12 N 2.41 -0.44 -3.91 1.43 3.86 -2.05 -3.43 115.15 113.02 2yry h HIS 12 Ca 0.35 0.05 -0.23 0.00 -1.16 0.00 0.00 60.37 59.38 2yry h HIS 12 Cb 1.15 0.26 -0.17 0.00 1.06 0.00 0.00 27.41 29.71 2yry h HIS 12 CO 0.86 -0.26 -0.71 0.45 0.86 0.00 0.00 177.93 179.13 2yry s SER 13 N -5.16 0.96 0.63 2.45 0.15 -1.26 -5.15 113.70 106.32 2yry s SER 13 Ca -0.14 -0.84 -0.15 0.00 0.70 0.00 0.00 55.95 55.52 2yry s SER 13 Cb 0.15 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 2yry s SER 13 CO 0.71 -0.39 1.08 -0.32 1.20 0.00 0.00 173.24 175.52 2yry s MET 14 N -3.03 3.07 0.36 5.44 1.75 -1.26 -5.07 119.30 120.55 2yry s MET 14 Ca 0.03 1.25 0.03 0.00 -1.25 0.00 0.00 55.69 55.76 2yry s MET 14 Cb 0.00 -2.00 -0.05 0.00 2.84 0.00 0.00 34.83 35.63 2yry s MET 14 CO -0.03 -1.02 0.09 0.15 -0.65 0.00 0.00 175.02 173.56 2yry s LYS 15 N -4.18 1.75 0.05 4.11 1.02 -1.26 -4.95 119.74 116.29 2yry s LYS 15 Ca 0.64 -2.02 0.00 0.00 0.02 0.00 0.00 55.97 54.62 2yry s LYS 15 Cb -0.18 -0.73 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 2yry s LYS 15 CO 0.40 -0.32 -0.05 0.50 -0.92 0.00 0.00 175.35 174.97 2yry s ARG 16 N -3.83 0.54 0.01 1.68 6.06 -1.26 -5.07 118.95 117.08 2yry s ARG 16 Ca 0.31 -0.97 0.04 0.00 -2.50 0.00 0.00 55.73 52.61 2yry s ARG 16 Cb 0.06 0.01 -0.01 0.00 0.06 0.00 0.00 34.95 35.07 2yry s ARG 16 CO 0.15 -0.04 -0.11 -0.80 -2.50 0.00 0.00 175.30 171.99 2yry s ASN 17 N -2.24 1.33 0.17 -2.12 0.01 -1.26 -5.05 114.94 105.78 2yry s ASN 17 Ca -0.02 -0.30 -0.07 0.00 -0.71 0.00 0.00 52.86 51.76 2yry s ASN 17 Cb -0.01 -0.11 0.06 0.00 0.41 0.00 0.00 41.25 41.59 2yry s ASN 17 CO -0.04 0.08 1.52 1.55 -1.51 0.00 0.00 177.10 178.69 2yry h PRO 18 N 5.49 0.78 -0.79 -0.60 0.13 -2.04 -3.16 132.00 131.82 2yry h PRO 18 Ca -0.34 -0.41 -0.02 0.00 -0.87 0.00 0.00 66.00 64.36 2yry h PRO 18 Cb 1.18 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2yry h PRO 18 CO 0.47 1.04 0.41 -0.91 -0.23 0.00 0.00 178.00 178.78 2yry h ASN 19 N 0.63 1.01 -1.87 1.44 2.35 -2.08 -3.43 115.58 113.64 2yry h ASN 19 Ca 0.05 -0.11 -0.66 0.00 -0.55 0.00 0.00 56.30 55.03 2yry h ASN 19 Cb 0.97 -0.26 0.03 0.00 0.05 0.00 0.00 38.32 39.11 2yry h ASN 19 CO 0.09 0.83 0.90 0.00 -1.65 0.00 0.00 177.43 177.61 2yry n ALA 20 N -2.38 0.36 -2.18 -0.83 0.00 -1.20 -4.89 120.51 109.39 2yry n ALA 20 Ca 0.07 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 2yry n ALA 20 Cb 0.11 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 2yry n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yry s PRO 21 N 2.95 4.34 -0.10 0.00 0.04 -1.26 -4.95 135.00 136.02 2yry s PRO 21 Ca 0.91 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.70 2yry s PRO 21 Cb -0.85 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 2yry s PRO 21 CO 0.53 -0.39 1.81 0.54 0.04 0.00 0.00 177.00 179.53 2yry s VAL 22 N 0.96 3.38 0.02 -0.36 0.11 -1.26 -4.59 120.40 118.66 2yry s VAL 22 Ca 0.63 0.44 -0.28 0.00 -2.93 0.00 0.00 61.98 59.84 2yry s VAL 22 Cb -0.36 -3.35 -0.16 0.00 -1.53 0.00 0.00 36.38 30.99 2yry s VAL 22 CO 0.31 -0.11 1.17 0.74 -3.33 0.00 0.00 175.10 173.88 2yry h THR 23 N 5.99 0.00 -2.57 5.04 2.02 0.23 -3.46 112.91 120.16 2yry h THR 23 Ca -0.41 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.42 2yry h THR 23 Cb 1.20 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.35 2yry h THR 23 CO 0.97 0.00 -0.24 -0.75 0.37 0.00 0.00 175.52 175.87 2yry s LYS 24 N -4.86 0.46 -0.01 6.66 2.20 -1.16 -4.98 119.74 118.05 2yry s LYS 24 Ca -0.15 0.80 0.03 0.00 -0.36 0.00 0.00 55.97 56.30 2yry s LYS 24 Cb 0.01 0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2yry s LYS 24 CO 0.45 -0.14 -0.11 0.00 -0.36 0.00 0.00 175.35 175.19 2yry s ALA 25 N 1.17 0.92 -0.21 3.13 0.00 -1.26 0.36 121.76 125.87 2yry s ALA 25 Ca -0.08 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 2yry s ALA 25 Cb -0.07 -0.27 0.15 0.00 0.00 0.00 0.00 23.12 22.94 2yry s ALA 25 CO -0.11 0.20 1.15 0.20 0.00 0.00 0.00 175.76 177.21 2yry s GLY 26 N -0.12 -0.13 -0.50 0.00 0.00 0.00 -5.00 107.32 101.57 2yry s GLY 26 Ca 0.02 2.31 -0.27 0.00 0.00 0.00 0.00 44.72 46.78 2yry s GLY 26 CO -0.00 1.03 1.74 -0.98 0.00 0.00 0.00 173.10 174.88 2yry s TRP 27 N -1.17 1.86 0.55 1.90 0.52 -1.26 -1.81 118.94 119.53 2yry s TRP 27 Ca 0.03 0.68 0.08 0.00 0.02 0.00 0.00 56.10 56.91 2yry s TRP 27 Cb -0.01 -4.16 0.06 0.00 -1.15 0.00 0.00 33.47 28.21 2yry s TRP 27 CO -0.03 -2.43 0.59 -0.51 0.02 0.00 0.00 176.95 174.59 2yry s LEU 28 N 7.66 2.92 -0.31 2.99 1.43 -0.97 -4.87 118.68 127.55 2yry s LEU 28 Ca 0.68 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2yry s LEU 28 Cb -0.15 -1.44 0.09 0.00 0.03 0.00 0.00 46.19 44.71 2yry s LEU 28 CO 0.26 -1.21 0.01 -0.36 0.23 0.00 0.00 176.35 175.29 2yry s PHE 29 N -2.71 3.15 0.62 0.29 0.08 -1.18 -2.13 117.98 116.11 2yry s PHE 29 Ca 0.48 -2.50 -0.13 0.00 0.12 0.00 0.00 56.93 54.90 2yry s PHE 29 Cb -0.04 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 2yry s PHE 29 CO 0.30 -0.90 1.04 0.21 -0.10 0.00 0.00 175.22 175.77 2yry s LYS 30 N 1.12 3.38 -0.13 0.44 2.20 -1.03 -2.16 119.74 123.56 2yry s LYS 30 Ca 0.05 0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 56.55 2yry s LYS 30 Cb -0.19 -2.05 -0.03 0.00 -1.51 0.00 0.00 37.83 34.05 2yry s LYS 30 CO -0.10 -0.74 0.01 -1.14 -0.36 0.00 0.00 175.35 173.02 2yry s GLN 31 N -4.77 3.46 -0.27 4.03 0.74 -1.24 -0.41 119.66 121.20 2yry s GLN 31 Ca 0.58 -0.41 -0.22 0.00 0.05 0.00 0.00 55.36 55.36 2yry s GLN 31 Cb -0.13 -2.96 -0.01 0.00 1.10 0.00 0.00 33.01 31.02 2yry s GLN 31 CO 0.48 0.46 0.71 0.00 -0.55 0.00 0.00 175.29 176.39 2yry s ALA 32 N -0.21 3.59 -0.11 1.58 0.00 -1.26 -4.84 121.76 120.51 2yry s ALA 32 Ca 0.06 -0.40 0.11 0.00 0.00 0.00 0.00 51.96 51.72 2yry s ALA 32 Cb -0.12 -3.16 -0.16 0.00 0.00 0.00 0.00 23.12 19.69 2yry s ALA 32 CO 0.02 -0.96 0.28 -1.13 0.00 0.00 0.00 175.76 173.96 2yry n SER 33 N 5.91 2.15 -4.34 0.00 3.41 -1.26 -4.40 113.62 115.09 2yry n SER 33 Ca 0.02 -0.15 -0.27 0.00 -0.26 0.00 0.00 58.87 58.20 2yry n SER 33 Cb 0.48 1.39 -0.13 0.00 -0.26 0.00 0.00 64.21 65.69 2yry n SER 33 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yry s SER 34 N -2.98 3.02 0.00 4.04 0.15 -1.26 -4.93 113.70 111.73 2yry s SER 34 Ca -0.02 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2yry s SER 34 Cb 0.07 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2yry s SER 34 CO 0.44 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.65 2yry n GLY 35 N 1.14 0.25 3.80 9.45 0.00 -1.26 -4.67 105.19 113.91 2yry n GLY 35 Ca -0.18 0.65 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 2yry n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yry s VAL 36 N 0.00 3.68 -0.38 1.61 1.01 -1.26 -5.02 120.40 120.04 2yry s VAL 36 Ca 0.00 0.55 0.12 0.00 0.00 0.00 0.00 61.98 62.65 2yry s VAL 36 Cb 0.00 -3.22 0.42 0.00 0.00 0.00 0.00 36.38 33.57 2yry s VAL 36 CO 0.00 -0.71 0.95 2.29 0.00 0.00 0.00 175.10 177.62 2yry n LYS 37 N -3.29 1.86 -3.64 2.72 -0.00 -1.26 -4.26 118.16 110.29 2yry n LYS 37 Ca 0.08 -3.73 -0.07 0.00 -0.00 0.00 0.00 58.31 54.58 2yry n LYS 37 Cb 0.54 -1.67 -0.07 0.00 -0.00 0.00 0.00 35.03 33.83 2yry n LYS 37 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2yry s GLN 38 N -3.13 0.52 0.94 -1.58 -2.07 -1.26 -4.99 119.66 108.09 2yry s GLN 38 Ca 0.37 0.72 -0.15 0.00 -1.82 0.00 0.00 55.36 54.47 2yry s GLN 38 Cb 0.41 0.20 -0.07 0.00 -1.09 0.00 0.00 33.01 32.46 2yry s GLN 38 CO -0.06 -0.08 -0.24 0.91 -1.32 0.00 0.00 175.29 174.51 2yry n TRP 39 N 2.90 -3.43 -3.62 9.60 7.02 -1.26 -4.03 117.44 124.62 2yry n TRP 39 Ca -0.15 0.11 -0.25 0.00 -1.02 0.00 0.00 57.50 56.19 2yry n TRP 39 Cb 0.57 -1.61 -0.17 0.00 -2.42 0.00 0.00 31.31 27.68 2yry n TRP 39 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2yry s ASN 40 N -1.41 2.20 -0.01 -0.99 0.01 0.45 -4.87 114.94 110.32 2yry s ASN 40 Ca 0.49 -0.53 -0.30 0.00 -0.71 0.00 0.00 52.86 51.81 2yry s ASN 40 Cb -0.22 -0.23 -0.07 0.00 0.41 0.00 0.00 41.25 41.14 2yry s ASN 40 CO 0.75 -0.34 1.76 -0.75 -1.51 0.00 0.00 177.10 177.01 2yry s LYS 41 N 2.14 4.17 0.04 -0.60 2.20 -1.26 -2.47 119.74 123.96 2yry s LYS 41 Ca 0.02 2.35 -0.05 0.00 -0.36 0.00 0.00 55.97 57.93 2yry s LYS 41 Cb -0.16 -4.00 -0.01 0.00 -1.51 0.00 0.00 37.83 32.15 2yry s LYS 41 CO -0.08 -0.87 0.09 1.03 -0.36 0.00 0.00 175.35 175.15 2yry s ARG 42 N 4.02 0.58 -0.14 4.03 1.81 -0.90 -4.99 118.95 123.36 2yry s ARG 42 Ca 0.79 -0.77 -0.29 0.00 -1.72 0.00 0.00 55.73 53.73 2yry s ARG 42 Cb -0.37 0.23 -0.02 0.00 -0.45 0.00 0.00 34.95 34.33 2yry s ARG 42 CO 0.34 -0.14 1.36 -0.46 -0.68 0.00 0.00 175.30 175.71 2yry s TRP 43 N -2.62 2.64 -0.12 -0.53 -0.00 -1.05 -2.28 118.94 114.97 2yry s TRP 43 Ca -0.05 0.81 -0.06 0.00 -0.00 0.00 0.00 56.10 56.81 2yry s TRP 43 Cb -0.01 -3.61 -0.04 0.00 -0.00 0.00 0.00 33.47 29.81 2yry s TRP 43 CO -0.05 -2.20 0.09 -0.06 -0.00 0.00 0.00 176.95 174.73 2yry s PHE 44 N 3.66 3.41 -0.03 5.86 0.40 -0.75 -0.71 117.98 129.82 2yry s PHE 44 Ca 0.59 0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 57.27 2yry s PHE 44 Cb -0.24 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.39 2yry s PHE 44 CO 0.18 0.54 0.02 0.08 0.70 0.00 0.00 175.22 176.75 2yry s VAL 45 N -0.69 0.03 -0.35 -0.44 1.01 0.13 -0.82 120.40 119.28 2yry s VAL 45 Ca 0.12 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2yry s VAL 45 Cb -0.12 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.10 2yry s VAL 45 CO 0.02 0.12 0.20 -0.22 0.00 0.00 0.00 175.10 175.23 2yry s LEU 46 N 1.17 4.48 -0.02 3.92 2.96 0.16 0.33 118.68 131.68 2yry s LEU 46 Ca -0.08 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.12 2yry s LEU 46 Cb -0.13 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.53 2yry s LEU 46 CO -0.03 -0.29 0.04 -0.69 -1.32 0.00 0.00 176.35 174.06 2yry s VAL 47 N 1.62 -0.03 -1.14 1.68 1.01 -0.13 0.96 120.40 124.37 2yry s VAL 47 Ca 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 2yry s VAL 47 Cb -0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 2yry s VAL 47 CO 0.07 0.05 0.93 0.47 0.00 0.00 0.00 175.10 176.62 2yry n ASP 48 N 3.68 -4.16 -2.09 3.32 8.00 -1.26 -1.71 116.55 122.32 2yry n ASP 48 Ca -0.21 -0.69 -0.06 0.00 0.71 0.00 0.00 54.79 54.54 2yry n ASP 48 Cb 0.55 -5.01 -0.01 0.00 -0.02 0.00 0.00 41.12 36.63 2yry n ASP 48 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yry n ARG 49 N -3.74 -2.20 -4.24 -1.24 1.74 -1.26 -4.88 116.66 100.83 2yry n ARG 49 Ca -0.18 0.30 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 2yry n ARG 49 Cb 0.64 -4.72 -0.10 0.00 -1.02 0.00 0.00 32.46 27.27 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yry s LEU 51 N -3.04 3.65 -0.07 0.00 0.20 -1.05 -0.95 118.68 117.41 2yry s LEU 51 Ca 0.15 0.08 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 2yry s LEU 51 Cb 0.01 -1.88 0.03 0.00 -0.43 0.00 0.00 46.19 43.92 2yry s LEU 51 CO 0.01 0.26 0.01 -0.36 -0.29 0.00 0.00 176.35 175.98 2yry s PHE 52 N -0.16 0.62 -0.19 5.38 0.08 0.15 -2.72 117.98 121.14 2yry s PHE 52 Ca 0.06 -0.15 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 2yry s PHE 52 Cb -0.12 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.52 2yry s PHE 52 CO 0.02 -0.33 -0.02 1.52 -0.10 0.00 0.00 175.22 176.31 2yry s TYR 53 N 1.99 3.03 -0.06 0.36 1.13 -1.25 0.20 117.35 122.74 2yry s TYR 53 Ca 0.05 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 2yry s TYR 53 Cb -0.12 -2.05 -0.02 0.00 -1.10 0.00 0.00 41.96 38.67 2yry s TYR 53 CO -0.05 -0.20 -0.15 0.71 -2.51 0.00 0.00 175.55 173.34 2yry s TYR 54 N 0.84 2.68 0.39 -3.49 1.51 0.11 -3.27 117.35 116.13 2yry s TYR 54 Ca 0.00 -0.28 0.27 0.00 -1.01 0.00 0.00 57.07 56.05 2yry s TYR 54 Cb -0.14 -1.65 1.34 0.00 -0.11 0.00 0.00 41.96 41.39 2yry s TYR 54 CO 0.02 0.09 1.45 0.36 -1.11 0.00 0.00 175.55 176.36 2yry n LYS 55 N 2.54 -0.04 -4.11 -0.62 2.85 -1.26 -2.52 118.16 115.00 2yry n LYS 55 Ca -0.17 1.19 -0.13 0.00 -1.05 0.00 0.00 58.31 58.15 2yry n LYS 55 Cb 0.52 -2.29 -0.06 0.00 -0.65 0.00 0.00 35.03 32.55 2yry n LYS 55 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2yry s ASP 56 N -4.37 0.45 0.54 -5.58 1.01 -1.26 -4.44 116.67 103.02 2yry s ASP 56 Ca -0.07 -1.31 0.22 0.00 0.71 0.00 0.00 52.55 52.10 2yry s ASP 56 Cb 0.29 0.55 1.47 0.00 1.01 0.00 0.00 42.92 46.25 2yry s ASP 56 CO 0.75 -1.10 2.17 -0.33 0.21 0.00 0.00 175.17 176.86 2yry h GLU 57 N 2.30 0.00 -1.01 8.23 5.08 -1.94 -2.48 114.58 124.76 2yry h GLU 57 Ca -0.29 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.35 2yry h GLU 57 Cb 1.25 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.36 2yry h GLU 57 CO 0.42 0.04 0.59 1.57 -1.00 0.00 0.00 179.01 180.62 2yry h LYS 58 N 0.00 0.45 -5.51 2.33 2.10 -1.96 -3.45 116.57 110.53 2yry h LYS 58 Ca -0.00 -0.03 -0.36 0.00 -2.00 0.00 0.00 60.65 58.26 2yry h LYS 58 Cb 0.07 -0.10 0.14 0.00 -0.90 0.00 0.00 32.23 31.44 2yry h LYS 58 CO 0.00 0.30 -0.66 0.39 -2.00 0.00 0.00 179.45 177.48 2yry n GLU 59 N -4.94 -7.17 0.29 0.07 1.02 -0.93 -4.93 120.64 104.04 2yry n GLU 59 Ca 0.29 0.78 -0.16 0.00 -0.02 0.00 0.00 57.16 58.05 2yry n GLU 59 Cb 0.86 -5.67 -0.08 0.00 -0.02 0.00 0.00 31.44 26.52 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 -2.35 -0.69 -3.87 3.49 4.39 -1.88 -3.45 114.58 110.22 2yry h GLU 60 Ca -0.54 0.05 -0.28 0.00 0.34 0.00 0.00 59.36 58.93 2yry h GLU 60 Cb 1.34 0.16 -0.29 0.00 -0.10 0.00 0.00 28.75 29.85 2yry h GLU 60 CO 0.51 -0.41 -0.73 -1.12 -1.16 0.00 0.00 179.01 176.10 2yry s SER 61 N -4.64 0.23 0.03 1.42 0.01 -1.26 -5.12 113.70 104.37 2yry s SER 61 Ca -0.16 -0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 2yry s SER 61 Cb 0.03 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.14 2yry s SER 61 CO 0.57 -0.01 1.52 -0.63 0.41 0.00 0.00 173.24 175.11 2yry s ILE 62 N 0.19 3.39 0.01 1.44 1.01 -1.26 -4.67 121.20 121.30 2yry s ILE 62 Ca -0.02 0.81 -0.18 0.00 0.00 0.00 0.00 60.65 61.26 2yry s ILE 62 Cb -0.03 -3.52 -0.31 0.00 0.01 0.00 0.00 42.46 38.61 2yry s ILE 62 CO -0.01 -0.00 1.01 -0.07 0.00 0.00 0.00 174.94 175.87 2yry h LEU 63 N 8.41 0.70 -7.00 2.97 3.38 -1.96 -3.47 115.31 118.33 2yry h LEU 63 Ca -0.40 -0.88 0.10 0.00 0.09 0.00 0.00 57.88 56.78 2yry h LEU 63 Cb 1.19 -0.22 -0.26 0.00 0.09 0.00 0.00 40.66 41.46 2yry h LEU 63 CO 0.91 1.52 0.33 -0.83 0.09 0.00 0.00 178.44 180.46 2yry s GLY 64 N -4.42 -0.11 0.04 0.83 0.00 -1.26 -5.10 107.32 97.30 2yry s GLY 64 Ca -0.11 3.00 -0.01 0.00 0.00 0.00 0.00 44.72 47.59 2yry s GLY 64 CO 0.89 2.52 0.21 -1.35 0.00 0.00 0.00 173.10 175.37 2yry s SER 65 N 1.32 6.37 -0.13 1.64 1.04 -1.26 -3.95 113.70 118.73 2yry s SER 65 Ca -0.08 0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 2yry s SER 65 Cb -0.04 -1.98 0.07 0.00 0.10 0.00 0.00 66.02 64.16 2yry s SER 65 CO -0.15 0.19 0.21 -0.63 0.98 0.00 0.00 173.24 173.83 2yry s ILE 66 N -1.46 -0.32 -0.04 -1.02 1.01 -1.10 -4.92 121.20 113.34 2yry s ILE 66 Ca 0.33 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 2yry s ILE 66 Cb -0.13 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 2yry s ILE 66 CO 0.25 0.03 1.48 -2.16 0.00 0.00 0.00 174.94 174.54 2yry s PRO 67 N 2.34 4.24 -0.13 2.79 0.04 -1.26 -2.54 135.00 140.47 2yry s PRO 67 Ca 0.04 2.01 0.13 0.00 0.04 0.00 0.00 61.00 63.21 2yry s PRO 67 Cb -0.13 -3.74 -0.24 0.00 0.04 0.00 0.00 34.50 30.44 2yry s PRO 67 CO -0.08 -0.69 0.35 1.28 0.04 0.00 0.00 177.00 177.89 2yry n LEU 68 N 6.14 0.80 0.10 -3.56 4.77 -1.25 -4.08 117.00 119.92 2yry n LEU 68 Ca 0.15 0.20 0.05 0.00 -0.03 0.00 0.00 56.01 56.38 2yry n LEU 68 Cb 0.43 0.13 0.26 0.00 -2.33 0.00 0.00 43.42 41.92 2yry n LEU 68 CO 0.60 0.50 0.69 0.00 -1.33 0.00 0.00 177.39 177.85 2yry n LEU 69 N -2.98 0.25 -2.19 2.23 -0.00 -1.24 -0.49 117.00 112.58 2yry n LEU 69 Ca -0.26 0.52 -0.20 0.00 -0.00 0.00 0.00 56.01 56.06 2yry n LEU 69 Cb 1.09 -0.51 0.02 0.00 -0.00 0.00 0.00 43.42 44.02 2yry n LEU 69 CO 0.43 -0.60 0.15 -1.54 -0.00 0.00 0.00 177.39 175.82 2yry n SER 70 N -1.82 4.36 -3.04 1.45 3.41 -1.26 -4.44 113.62 112.27 2yry n SER 70 Ca -0.01 -3.47 -0.17 0.00 -0.26 0.00 0.00 58.87 54.96 2yry n SER 70 Cb 0.20 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 2yry n SER 70 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2yry n PHE 71 N -0.66 -1.05 -3.58 7.33 3.01 0.35 -4.44 117.46 118.41 2yry n PHE 71 Ca 0.38 -2.50 -0.29 0.00 1.01 0.00 0.00 57.45 56.04 2yry n PHE 71 Cb 0.92 0.39 -0.12 0.00 -0.01 0.00 0.00 39.48 40.66 2yry n PHE 71 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2yry s ARG 72 N -3.06 0.97 0.37 -1.08 3.52 0.26 -4.56 118.95 115.37 2yry s ARG 72 Ca 0.34 -1.76 -0.26 0.00 -0.13 0.00 0.00 55.73 53.91 2yry s ARG 72 Cb 0.01 -1.85 -0.09 0.00 -1.56 0.00 0.00 34.95 31.46 2yry s ARG 72 CO 0.24 -1.20 1.18 0.08 -0.81 0.00 0.00 175.30 174.79 2yry s VAL 73 N 0.59 3.12 -0.21 7.11 1.01 -1.26 -2.90 120.40 127.86 2yry s VAL 73 Ca 0.19 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 2yry s VAL 73 Cb -0.21 -3.58 0.15 0.00 0.00 0.00 0.00 36.38 32.74 2yry s VAL 73 CO -0.02 0.14 1.17 0.00 0.00 0.00 0.00 175.10 176.40 2yry s ALA 74 N -1.33 -2.03 0.42 5.51 0.00 -1.11 -4.86 121.76 118.35 2yry s ALA 74 Ca 0.54 1.70 -0.26 0.00 0.00 0.00 0.00 51.96 53.93 2yry s ALA 74 Cb -0.32 -0.92 -0.09 0.00 0.00 0.00 0.00 23.12 21.78 2yry s ALA 74 CO 0.41 -0.33 1.41 0.00 0.00 0.00 0.00 175.76 177.25 2yry s ALA 75 N -1.33 3.34 0.95 0.00 0.00 -1.26 -1.60 121.76 121.86 2yry s ALA 75 Ca 0.04 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 2yry s ALA 75 Cb -0.01 -3.57 0.14 0.00 0.00 0.00 0.00 23.12 19.69 2yry s ALA 75 CO -0.04 -1.05 0.24 1.33 0.00 0.00 0.00 175.76 176.25 2yry n VAL 76 N 0.09 0.00 -3.89 0.00 0.24 -0.41 -4.78 118.33 109.59 2yry n VAL 76 Ca 0.03 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 2yry n VAL 76 Cb 0.42 -0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 32.32 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 -3.27 2.78 -0.09 7.34 -0.21 -1.26 -5.02 119.66 119.92 2yry s GLN 77 Ca 0.32 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.17 2yry s GLN 77 Cb -0.05 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 2yry s GLN 77 CO 0.31 0.17 1.52 -1.25 -2.12 0.00 0.00 175.29 173.92 2yry s PRO 78 N -3.95 4.20 -0.34 2.91 0.04 -1.26 -2.92 135.00 133.68 2yry s PRO 78 Ca 0.39 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 2yry s PRO 78 Cb -0.06 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2yry s PRO 78 CO 0.26 -0.80 0.30 0.45 0.04 0.00 0.00 177.00 177.24 2yry n SER 79 N 6.97 -3.05 -0.92 6.66 2.88 -1.26 -4.93 113.62 119.97 2yry n SER 79 Ca 0.16 -0.14 0.03 0.00 -1.33 0.00 0.00 58.87 57.59 2yry n SER 79 Cb 0.43 -1.64 0.14 0.00 -0.75 0.00 0.00 64.21 62.40 2yry n SER 79 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2yry n ASP 80 N 0.28 2.50 -2.74 -3.46 9.92 -1.15 -4.85 116.55 117.06 2yry n ASP 80 Ca -0.00 -2.28 -0.20 0.00 -0.53 0.00 0.00 54.79 51.78 2yry n ASP 80 Cb 0.52 -0.50 0.04 0.00 -0.64 0.00 0.00 41.12 40.53 2yry n ASP 80 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2yry n ASN 81 N 0.24 -5.64 -4.10 -2.24 4.13 -1.26 -4.97 115.26 101.42 2yry n ASN 81 Ca 0.10 -0.28 -0.35 0.00 1.68 0.00 0.00 54.58 55.73 2yry n ASN 81 Cb 0.53 -4.45 -0.12 0.00 -1.54 0.00 0.00 39.78 34.21 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2yry s ILE 82 N -3.13 3.24 0.30 2.41 -1.09 -1.26 -4.97 121.20 116.71 2yry s ILE 82 Ca 0.30 -2.31 0.08 0.00 -2.23 0.00 0.00 60.65 56.48 2yry s ILE 82 Cb -0.13 -3.21 0.36 0.00 -1.58 0.00 0.00 42.46 37.90 2yry s ILE 82 CO 0.37 -0.72 1.43 -1.20 -1.23 0.00 0.00 174.94 173.59 2yry n SER 83 N 4.29 0.05 -3.93 3.58 7.64 -1.26 -4.42 113.62 119.56 2yry n SER 83 Ca 0.01 1.54 -0.30 0.00 1.01 0.00 0.00 58.87 61.13 2yry n SER 83 Cb 0.40 -0.63 0.25 0.00 -1.01 0.00 0.00 64.21 63.23 2yry n SER 83 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yry s ARG 84 N -5.71 -1.55 0.01 1.43 0.52 -1.26 -5.04 118.95 107.35 2yry s ARG 84 Ca -0.11 0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 55.33 2yry s ARG 84 Cb 0.28 -1.53 -0.00 0.00 0.52 0.00 0.00 34.95 34.22 2yry s ARG 84 CO 0.71 -3.99 -0.01 1.63 0.02 0.00 0.00 175.30 173.66 2yry n LYS 85 N -5.01 0.02 -2.20 3.54 5.02 -1.26 -4.89 118.16 113.37 2yry n LYS 85 Ca 0.10 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.08 2yry n LYS 85 Cb 0.58 -0.19 -0.05 0.00 -0.02 0.00 0.00 35.03 35.36 2yry n LYS 85 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2yry s HIS 86 N -1.23 2.11 0.14 2.13 3.76 -1.26 -4.91 115.29 116.03 2yry s HIS 86 Ca -0.01 0.04 0.07 0.00 -0.15 0.00 0.00 55.06 55.00 2yry s HIS 86 Cb 0.00 -4.21 -0.04 0.00 1.11 0.00 0.00 32.58 29.44 2yry s HIS 86 CO 0.01 -1.53 -0.15 0.99 -0.85 0.00 0.00 174.74 173.22 2yry s THR 87 N 9.04 1.47 -0.10 1.30 2.01 -1.26 -2.09 115.64 126.00 2yry s THR 87 Ca 0.64 -1.83 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 2yry s THR 87 Cb -0.02 -1.67 0.04 0.00 0.01 0.00 0.00 72.50 70.87 2yry s THR 87 CO 0.06 -0.44 0.24 0.72 -0.69 0.00 0.00 174.62 174.52 2yry s PHE 88 N -2.29 -0.32 0.06 4.92 -0.71 0.13 -1.28 117.98 118.49 2yry s PHE 88 Ca 0.12 0.76 0.09 0.00 -1.04 0.00 0.00 56.93 56.87 2yry s PHE 88 Cb -0.04 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 2yry s PHE 88 CO 0.04 -0.22 -0.25 -1.59 -1.34 0.00 0.00 175.22 171.86 2yry s LYS 89 N 1.14 1.65 0.16 1.99 0.00 -0.63 0.17 119.74 124.22 2yry s LYS 89 Ca -0.08 -1.12 0.04 0.00 0.00 0.00 0.00 55.97 54.80 2yry s LYS 89 Cb -0.09 -1.87 -0.04 0.00 0.00 0.00 0.00 37.83 35.83 2yry s LYS 89 CO -0.08 0.47 0.19 0.00 0.00 0.00 0.00 175.35 175.94 2yry s ALA 90 N -0.86 3.71 -0.16 0.59 0.00 0.20 -2.76 121.76 122.49 2yry s ALA 90 Ca 0.11 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 2yry s ALA 90 Cb -0.10 -1.52 0.05 0.00 0.00 0.00 0.00 23.12 21.56 2yry s ALA 90 CO 0.03 0.52 0.39 -2.00 0.00 0.00 0.00 175.76 174.71 2yry s GLU 91 N -3.13 0.40 -0.02 0.00 2.12 -1.14 -1.13 118.70 115.80 2yry s GLU 91 Ca 0.32 0.70 0.20 0.00 0.36 0.00 0.00 54.97 56.56 2yry s GLU 91 Cb -0.10 0.03 -0.28 0.00 0.26 0.00 0.00 34.13 34.04 2yry s GLU 91 CO 0.25 -0.13 0.60 1.58 -0.54 0.00 0.00 175.26 177.02 2yry n HIS 92 N 3.88 0.00 -2.83 5.30 -0.00 -1.21 0.91 115.22 121.28 2yry n HIS 92 Ca -0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.41 2yry n HIS 92 Cb 0.56 -0.28 0.05 0.00 -0.00 0.00 0.00 29.99 30.31 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 -1.92 -1.05 0.00 1.57 0.00 -1.26 -4.76 120.51 113.09 2yry n ALA 93 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2yry n ALA 93 Cb 0.44 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.11 0.07 0.52 0.00 0.00 -1.26 -5.04 105.19 98.37 2yry n GLY 94 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.66 -3.95 1.61 0.31 -1.26 -5.15 118.33 110.55 2yry n VAL 95 Ca 0.00 0.26 0.01 0.00 -0.01 0.00 0.00 64.34 64.61 2yry n VAL 95 Cb 0.00 -1.60 0.01 0.00 -0.91 0.00 0.00 33.84 31.34 2yry n VAL 95 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2yry n ARG 96 N -3.22 0.23 -3.87 5.55 1.85 -1.26 -5.08 116.66 110.87 2yry n ARG 96 Ca -0.03 -0.76 -0.30 0.00 -1.00 0.00 0.00 57.85 55.75 2yry n ARG 96 Cb 0.13 1.19 -0.15 0.00 -1.05 0.00 0.00 32.46 32.57 2yry n ARG 96 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2yry s THR 97 N -2.06 1.37 0.54 8.89 2.01 -1.26 -3.29 115.64 121.84 2yry s THR 97 Ca 0.24 -1.47 -0.15 0.00 0.31 0.00 0.00 61.69 60.61 2yry s THR 97 Cb -0.01 -1.88 -0.07 0.00 0.01 0.00 0.00 72.50 70.55 2yry s THR 97 CO 0.00 -0.42 1.00 -0.31 -0.69 0.00 0.00 174.62 174.20 2yry s TYR 98 N 1.41 3.44 0.08 4.92 2.02 -0.29 -4.82 117.35 124.11 2yry s TYR 98 Ca 0.04 1.44 0.08 0.00 -0.37 0.00 0.00 57.07 58.26 2yry s TYR 98 Cb -0.18 -2.80 -0.03 0.00 -0.40 0.00 0.00 41.96 38.55 2yry s TYR 98 CO -0.14 -0.50 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.06 2yry s PHE 99 N -2.71 1.92 -0.23 2.71 0.40 -1.26 0.60 117.98 119.41 2yry s PHE 99 Ca 0.59 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.42 2yry s PHE 99 Cb -0.11 -1.09 0.09 0.00 0.51 0.00 0.00 43.02 42.42 2yry s PHE 99 CO 0.36 0.17 0.52 -0.06 0.70 0.00 0.00 175.22 176.91 2yry s PHE 100 N -0.98 -0.93 0.41 0.36 0.08 0.13 -3.61 117.98 113.44 2yry s PHE 100 Ca 0.08 1.77 0.08 0.00 0.12 0.00 0.00 56.93 58.98 2yry s PHE 100 Cb -0.10 0.47 -0.03 0.00 -0.57 0.00 0.00 43.02 42.79 2yry s PHE 100 CO 0.03 -0.50 0.28 0.45 -0.10 0.00 0.00 175.22 175.39 2yry s SER 101 N 2.21 4.79 -0.03 1.36 0.15 -0.92 0.17 113.70 121.42 2yry s SER 101 Ca -0.06 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 55.73 2yry s SER 101 Cb -0.10 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.67 2yry s SER 101 CO -0.16 -0.58 -0.05 0.00 1.20 0.00 0.00 173.24 173.65 2yry s ALA 102 N -2.52 0.61 0.55 5.45 0.00 -0.89 -3.13 121.76 121.84 2yry s ALA 102 Ca 0.45 -0.10 0.24 0.00 0.00 0.00 0.00 51.96 52.55 2yry s ALA 102 Cb -0.00 -0.33 1.31 0.00 0.00 0.00 0.00 23.12 24.10 2yry s ALA 102 CO 0.25 0.03 1.72 1.05 0.00 0.00 0.00 175.76 178.82 2yry h GLU 103 N 6.83 0.00 -3.83 0.00 4.11 -1.89 -3.42 114.58 116.39 2yry h GLU 103 Ca -0.36 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.97 2yry h GLU 103 Cb 1.16 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 2yry h GLU 103 CO 0.48 0.00 -0.42 -1.12 0.07 0.00 0.00 179.01 178.03 2yry s SER 104 N -4.11 0.16 0.23 3.06 0.01 -1.26 -5.06 113.70 106.73 2yry s SER 104 Ca -0.03 -0.65 -0.00 0.00 1.31 0.00 0.00 55.95 56.58 2yry s SER 104 Cb 0.07 0.31 0.24 0.00 0.21 0.00 0.00 66.02 66.85 2yry s SER 104 CO 0.22 -0.68 1.59 1.55 0.41 0.00 0.00 173.24 176.33 2yry h PRO 105 N 2.93 0.49 -0.52 12.44 0.13 -1.91 -2.82 132.00 142.74 2yry h PRO 105 Ca -0.34 -0.26 0.03 0.00 -0.87 0.00 0.00 66.00 64.56 2yry h PRO 105 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2yry h PRO 105 CO 0.56 0.84 0.34 0.93 -0.23 0.00 0.00 178.00 180.44 2yry h GLU 106 N 0.40 0.58 0.10 0.86 3.07 -1.97 -1.62 114.58 116.00 2yry h GLU 106 Ca 0.03 -0.03 -0.28 0.00 -0.50 0.00 0.00 59.36 58.57 2yry h GLU 106 Cb 0.93 -0.13 0.03 0.00 -0.84 0.00 0.00 28.75 28.74 2yry h GLU 106 CO 0.08 0.38 -1.16 0.93 -1.40 0.00 0.00 179.01 177.84 2yry h GLU 107 N 0.60 0.61 0.09 2.33 5.08 -1.92 -2.77 114.58 118.60 2yry h GLU 107 Ca 0.21 -0.79 0.01 0.00 -1.00 0.00 0.00 59.36 57.79 2yry h GLU 107 Cb 0.09 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2yry h GLU 107 CO -0.05 1.35 -0.13 0.37 -1.00 0.00 0.00 179.01 179.55 2yry h GLN 108 N 0.24 -0.26 -0.03 2.33 4.15 -1.17 0.18 115.11 120.54 2yry h GLN 108 Ca -0.17 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.26 2yry h GLN 108 Cb 1.84 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.59 2yry h GLN 108 CO 0.22 -0.18 0.02 1.05 -1.93 0.00 0.00 178.83 178.02 2yry h GLU 109 N -0.27 0.05 -0.40 1.69 4.11 -1.43 -2.06 114.58 116.27 2yry h GLU 109 Ca 0.02 -0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.49 2yry h GLU 109 Cb 0.28 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2yry h GLU 109 CO -0.07 0.09 0.13 0.00 0.07 0.00 0.00 179.01 179.23 2yry h ALA 110 N 0.95 0.46 -0.39 1.06 0.00 -1.32 -1.78 119.26 118.24 2yry h ALA 110 Ca 0.01 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2yry h ALA 110 Cb 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2yry h ALA 110 CO -0.00 -0.26 0.10 -1.49 0.00 0.00 0.00 179.25 177.60 2yry h TRP 111 N 0.28 0.18 -0.89 0.00 4.06 -0.48 -1.93 115.95 117.16 2yry h TRP 111 Ca 0.18 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.21 2yry h TRP 111 Cb 0.18 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 2yry h TRP 111 CO -0.16 0.05 0.57 0.82 -3.56 0.00 0.00 178.44 176.16 2yry h ILE 112 N 0.24 1.09 -0.61 1.49 2.04 -0.87 0.27 117.51 121.16 2yry h ILE 112 Ca 0.18 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.79 2yry h ILE 112 Cb 0.20 -0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.13 2yry h ILE 112 CO -0.22 0.19 0.15 1.56 0.00 0.00 0.00 178.15 179.84 2yry h GLN 113 N 1.06 0.28 0.02 2.37 4.20 -0.53 1.76 115.11 124.27 2yry h GLN 113 Ca 0.38 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.07 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 -0.15 0.19 -0.01 0.00 -0.67 0.00 0.00 178.83 178.18 2yry h ALA 114 N 1.47 -0.03 0.92 3.87 0.00 -1.22 -3.14 119.26 121.13 2yry h ALA 114 Ca 0.32 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2yry h ALA 114 Cb 0.47 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2yry h ALA 114 CO -0.39 -0.04 -0.44 0.52 0.00 0.00 0.00 179.25 178.90 2yry h MET 115 N -0.98 -1.19 -0.77 0.00 2.86 -0.36 0.91 114.93 115.40 2yry h MET 115 Ca -0.00 0.08 0.14 0.00 -2.06 0.00 0.00 59.70 57.86 2yry h MET 115 Cb 0.53 0.27 -0.14 0.00 0.06 0.00 0.00 31.60 32.32 2yry h MET 115 CO 0.01 -0.80 -0.28 0.78 1.06 0.00 0.00 176.91 177.68 2yry h GLY 116 N -1.33 0.28 0.77 8.32 0.00 0.25 0.29 103.07 111.64 2yry h GLY 116 Ca -0.13 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 2yry h GLY 116 CO 0.21 -0.26 -0.14 0.83 0.00 0.00 0.00 176.54 177.18 2yry h GLU 117 N -0.05 -0.37 -0.85 4.80 4.39 -1.52 -2.59 114.58 118.39 2yry h GLU 117 Ca 0.33 0.03 0.24 0.00 0.34 0.00 0.00 59.36 60.30 2yry h GLU 117 Cb 0.58 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2yry h GLU 117 CO -0.81 -0.09 0.61 0.00 -1.16 0.00 0.00 179.01 177.56 2yry h ALA 118 N 0.01 2.78 -0.01 3.43 0.00 0.21 -0.87 119.26 124.82 2yry h ALA 118 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2yry h ALA 118 Cb 0.44 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2yry h ALA 118 CO 0.06 -1.03 -0.01 0.00 0.00 0.00 0.00 179.25 178.28 2yry h ALA 119 N 1.58 0.01 -1.86 0.00 0.00 -0.20 -3.33 119.26 115.46 2yry h ALA 119 Ca 0.41 -0.27 -0.61 0.00 0.00 0.00 0.00 54.91 54.43 2yry h ALA 119 Cb 1.61 -0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.57 2yry h ALA 119 CO -0.01 -0.21 -1.06 0.54 0.00 0.00 0.00 179.25 178.50 2yry n ARG 120 N -4.82 0.00 0.01 0.00 1.74 -0.33 -3.92 116.66 109.35 2yry n ARG 120 Ca -0.09 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.10 2yry n ARG 120 Cb 0.28 -1.00 -0.05 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.29 0.10 1.27 1.55 0.31 -1.26 -4.87 118.33 114.14 2yry n VAL 121 Ca 0.09 -0.24 0.13 0.00 -0.01 0.00 0.00 64.34 64.31 2yry n VAL 121 Cb 0.44 0.35 0.33 0.00 -0.91 0.00 0.00 33.84 34.05 2yry n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51