#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 0.14 -0.10 1.61 1.04 -1.26 -5.14 113.70 110.00 2yry s SER 2 Ca 0.00 -1.07 -0.30 0.00 0.48 0.00 0.00 55.95 55.06 2yry s SER 2 Cb 0.00 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 2yry s SER 2 CO 0.00 -1.22 1.10 -0.55 0.98 0.00 0.00 173.24 173.54 2yry s SER 3 N -3.07 7.15 0.00 7.02 0.15 -1.26 -4.87 113.70 118.82 2yry s SER 3 Ca 0.24 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.53 2yry s SER 3 Cb -0.01 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2yry s SER 3 CO 0.12 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2yry n GLY 4 N 3.24 3.28 3.90 9.45 0.00 -1.26 -5.10 105.19 118.70 2yry n GLY 4 Ca 0.10 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 2yry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yry s SER 5 N 0.00 5.42 -0.16 1.61 0.15 -1.26 -5.06 113.70 114.39 2yry s SER 5 Ca 0.00 0.86 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 2yry s SER 5 Cb 0.00 -1.72 -0.05 0.00 -1.71 0.00 0.00 66.02 62.54 2yry s SER 5 CO 0.00 -1.25 0.19 -0.44 1.20 0.00 0.00 173.24 172.93 2yry s SER 6 N -4.36 6.34 0.00 5.45 0.01 -1.26 -4.95 113.70 114.93 2yry s SER 6 Ca 0.56 0.39 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2yry s SER 6 Cb -0.11 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2yry s SER 6 CO 0.48 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.95 2yry n GLY 7 N 3.09 -0.04 0.00 3.44 0.00 -1.26 -5.19 105.19 105.23 2yry n GLY 7 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 1.93 3.56 -0.02 0.00 -1.26 -5.17 105.19 104.23 2yry n GLY 8 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 2yry n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yry s LYS 9 N -1.99 -0.67 0.30 1.61 -2.85 -1.26 -4.88 119.74 109.99 2yry s LYS 9 Ca 0.00 0.50 -0.17 0.00 -1.00 0.00 0.00 55.97 55.30 2yry s LYS 9 Cb 0.00 -1.61 -0.12 0.00 -2.06 0.00 0.00 37.83 34.04 2yry s LYS 9 CO 0.00 -3.47 0.10 0.54 0.10 0.00 0.00 175.35 172.63 2yry n ARG 10 N -4.69 0.00 -0.06 1.78 1.74 -1.26 -4.92 116.66 109.25 2yry n ARG 10 Ca 0.06 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.09 2yry n ARG 10 Cb 0.57 -0.78 -0.03 0.00 -1.02 0.00 0.00 32.46 31.20 2yry n ARG 10 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2yry h SER 11 N 0.31 0.00 -3.51 0.55 0.87 -2.06 -3.47 113.55 106.24 2yry h SER 11 Ca -0.28 -0.15 -0.26 0.00 -1.23 0.00 0.00 61.79 59.87 2yry h SER 11 Cb 1.12 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.76 2yry h SER 11 CO 0.37 0.70 -0.65 -1.38 -0.53 0.00 0.00 176.83 175.34 2yry s HIS 12 N -1.89 -0.08 -0.21 2.24 0.00 -1.26 -5.13 115.29 108.96 2yry s HIS 12 Ca -0.09 0.31 -0.04 0.00 -3.00 0.00 0.00 55.06 52.25 2yry s HIS 12 Cb 0.01 -0.13 0.09 0.00 -4.00 0.00 0.00 32.58 28.55 2yry s HIS 12 CO 0.19 -0.12 0.19 0.45 -1.00 0.00 0.00 174.74 174.44 2yry s SER 13 N 0.99 1.75 0.74 7.38 0.15 -1.26 -5.15 113.70 118.30 2yry s SER 13 Ca -0.08 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.07 2yry s SER 13 Cb -0.11 0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.47 2yry s SER 13 CO -0.04 -0.34 1.08 -0.04 1.20 0.00 0.00 173.24 175.10 2yry s MET 14 N 2.27 2.18 -0.16 5.44 -1.94 -1.26 -5.10 119.30 120.74 2yry s MET 14 Ca 0.06 -0.04 -0.34 0.00 -1.71 0.00 0.00 55.69 53.66 2yry s MET 14 Cb -0.16 -2.07 0.13 0.00 2.01 0.00 0.00 34.83 34.74 2yry s MET 14 CO -0.14 -1.35 1.16 0.21 -0.01 0.00 0.00 175.02 174.89 2yry s LYS 15 N -5.38 0.39 0.07 2.03 2.20 -1.26 -4.99 119.74 112.81 2yry s LYS 15 Ca 0.60 -0.15 -0.19 0.00 -0.36 0.00 0.00 55.97 55.88 2yry s LYS 15 Cb -0.11 0.18 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 2yry s LYS 15 CO 0.47 -0.17 0.55 0.50 -0.36 0.00 0.00 175.35 176.34 2yry s ARG 16 N -2.53 4.16 0.46 4.03 3.52 -1.26 -5.07 118.95 122.25 2yry s ARG 16 Ca 0.09 0.69 -0.20 0.00 -0.13 0.00 0.00 55.73 56.18 2yry s ARG 16 Cb -0.01 -3.21 -0.10 0.00 -1.56 0.00 0.00 34.95 30.07 2yry s ARG 16 CO -0.05 0.63 0.97 -0.80 -0.81 0.00 0.00 175.30 175.24 2yry s ASN 17 N -1.16 6.78 0.15 -2.12 0.01 -1.26 -4.99 114.94 112.36 2yry s ASN 17 Ca 0.29 1.69 -0.10 0.00 -0.71 0.00 0.00 52.86 54.03 2yry s ASN 17 Cb -0.19 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 2yry s ASN 17 CO 0.19 -0.47 1.48 1.55 -1.51 0.00 0.00 177.10 178.34 2yry h PRO 18 N 1.63 0.92 -1.22 -0.60 0.13 -2.05 -3.16 132.00 127.64 2yry h PRO 18 Ca -0.49 -0.49 -0.61 0.00 -0.87 0.00 0.00 66.00 63.55 2yry h PRO 18 Cb 1.19 0.02 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2yry h PRO 18 CO 0.61 1.14 0.79 0.09 -0.23 0.00 0.00 178.00 180.39 2yry n ASN 19 N -4.05 7.41 -4.41 1.44 3.02 -1.26 -4.92 115.26 112.49 2yry n ASN 19 Ca -0.02 -3.63 -0.35 0.00 -0.03 0.00 0.00 54.58 50.55 2yry n ASN 19 Cb 0.55 -1.01 -0.13 0.00 -0.61 0.00 0.00 39.78 38.58 2yry n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yry s ALA 20 N -3.37 2.99 0.13 5.41 0.00 -1.20 -5.09 121.76 120.63 2yry s ALA 20 Ca 0.57 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.17 2yry s ALA 20 Cb 0.44 -1.78 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 2yry s ALA 20 CO -0.05 -0.26 1.34 -1.25 0.00 0.00 0.00 175.76 175.55 2yry s PRO 21 N 1.19 4.35 -0.21 0.00 0.04 -1.26 -4.95 135.00 134.16 2yry s PRO 21 Ca 0.03 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2yry s PRO 21 Cb -0.15 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2yry s PRO 21 CO 0.01 -0.36 1.71 0.54 0.04 0.00 0.00 177.00 178.94 2yry s VAL 22 N 0.80 3.56 0.03 -0.36 0.11 -1.26 -4.53 120.40 118.75 2yry s VAL 22 Ca 0.62 0.63 -0.28 0.00 -2.93 0.00 0.00 61.98 60.01 2yry s VAL 22 Cb -0.36 -3.58 -0.17 0.00 -1.53 0.00 0.00 36.38 30.74 2yry s VAL 22 CO 0.32 -0.25 1.34 0.74 -3.33 0.00 0.00 175.10 173.92 2yry h THR 23 N 6.24 0.43 -2.37 5.04 2.02 0.73 -3.46 112.91 121.54 2yry h THR 23 Ca -0.36 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 2yry h THR 23 Cb 1.17 0.56 -0.24 0.00 -1.74 0.00 0.00 68.15 67.90 2yry h THR 23 CO 0.99 0.05 -0.14 -0.75 0.37 0.00 0.00 175.52 176.05 2yry s LYS 24 N -5.13 0.56 0.03 6.66 2.20 -1.08 -4.97 119.74 118.01 2yry s LYS 24 Ca -0.15 0.93 0.07 0.00 -0.36 0.00 0.00 55.97 56.46 2yry s LYS 24 Cb 0.02 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2yry s LYS 24 CO 0.54 -0.14 -0.21 0.00 -0.36 0.00 0.00 175.35 175.18 2yry s ALA 25 N 1.22 1.79 0.00 3.13 0.00 -1.26 -0.01 121.76 126.63 2yry s ALA 25 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2yry s ALA 25 Cb -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2yry s ALA 25 CO -0.12 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.46 2yry n GLY 26 N 2.00 1.77 3.61 0.00 0.00 -0.48 -5.02 105.19 107.07 2yry n GLY 26 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2yry n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yry s TRP 27 N -1.06 2.16 0.46 1.61 0.52 -1.26 -2.54 118.94 118.82 2yry s TRP 27 Ca 0.00 0.63 0.05 0.00 0.02 0.00 0.00 56.10 56.80 2yry s TRP 27 Cb 0.00 -4.09 -0.04 0.00 -1.15 0.00 0.00 33.47 28.19 2yry s TRP 27 CO 0.00 -2.58 0.07 -0.51 0.02 0.00 0.00 176.95 173.96 2yry s LEU 28 N 5.62 2.69 -0.17 2.99 1.43 -1.06 -4.92 118.68 125.25 2yry s LEU 28 Ca 0.70 -1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2yry s LEU 28 Cb -0.21 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2yry s LEU 28 CO 0.31 -0.68 -0.04 -0.36 0.23 0.00 0.00 176.35 175.81 2yry s PHE 29 N -2.76 3.00 -0.40 0.29 0.40 -1.08 -2.02 117.98 115.42 2yry s PHE 29 Ca 0.25 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 2yry s PHE 29 Cb 0.05 -2.00 0.04 0.00 0.51 0.00 0.00 43.02 41.61 2yry s PHE 29 CO 0.13 -0.15 0.25 0.21 0.70 0.00 0.00 175.22 176.36 2yry s LYS 30 N 0.64 2.84 0.34 0.44 2.20 0.35 -2.11 119.74 124.44 2yry s LYS 30 Ca -0.02 -1.13 -0.28 0.00 -0.36 0.00 0.00 55.97 54.17 2yry s LYS 30 Cb -0.14 -3.83 -0.12 0.00 -1.51 0.00 0.00 37.83 32.22 2yry s LYS 30 CO 0.02 -0.77 1.26 0.94 -0.36 0.00 0.00 175.35 176.44 2yry n GLN 31 N 5.04 2.04 -0.98 4.03 7.27 -1.22 -1.55 117.38 132.01 2yry n GLN 31 Ca -0.11 0.72 -0.29 0.00 0.07 0.00 0.00 57.00 57.38 2yry n GLN 31 Cb 0.46 -2.27 0.22 0.00 2.41 0.00 0.00 30.24 31.06 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 -1.09 0.44 0.79 1.69 0.00 0.17 -4.80 121.76 118.96 2yry s ALA 32 Ca 0.56 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 2yry s ALA 32 Cb -0.58 -3.03 0.07 0.00 0.00 0.00 0.00 23.12 19.58 2yry s ALA 32 CO 0.62 -3.45 1.16 -1.54 0.00 0.00 0.00 175.76 172.55 2yry s SER 33 N -3.47 4.58 0.33 0.00 1.04 -1.26 -4.92 113.70 110.00 2yry s SER 33 Ca 0.68 0.76 -0.26 0.00 0.48 0.00 0.00 55.95 57.61 2yry s SER 33 Cb -0.16 -1.28 -0.13 0.00 0.10 0.00 0.00 66.02 64.55 2yry s SER 33 CO 0.58 -1.85 0.80 -1.20 0.98 0.00 0.00 173.24 172.56 2yry n SER 34 N -3.26 0.29 0.00 7.02 7.64 -1.26 -3.42 113.62 120.63 2yry n SER 34 Ca 0.08 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2yry n SER 34 Cb 0.61 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2yry n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yry n GLY 35 N 1.49 2.14 3.87 0.23 0.00 -1.26 -5.03 105.19 106.63 2yry n GLY 35 Ca 0.11 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 2yry n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yry s VAL 36 N 0.00 5.18 -0.70 1.61 0.11 -1.22 -5.06 120.40 120.32 2yry s VAL 36 Ca 0.00 0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 59.35 2yry s VAL 36 Cb 0.00 -3.61 0.18 0.00 -1.53 0.00 0.00 36.38 31.42 2yry s VAL 36 CO 0.00 0.36 0.57 -0.54 -3.33 0.00 0.00 175.10 172.15 2yry s LYS 37 N -1.74 2.97 0.09 1.54 3.01 -1.26 -4.55 119.74 119.79 2yry s LYS 37 Ca 0.29 -2.48 -0.14 0.00 -1.01 0.00 0.00 55.97 52.64 2yry s LYS 37 Cb -0.14 -4.01 0.02 0.00 -1.01 0.00 0.00 37.83 32.69 2yry s LYS 37 CO 0.16 -1.22 0.32 1.14 0.51 0.00 0.00 175.35 176.26 2yry s GLN 38 N 0.07 0.93 -0.14 1.68 -2.07 -1.26 -5.05 119.66 113.83 2yry s GLN 38 Ca 0.17 -0.69 0.01 0.00 -1.82 0.00 0.00 55.36 53.03 2yry s GLN 38 Cb -0.17 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 2yry s GLN 38 CO -0.05 -0.33 -0.18 -1.58 -1.32 0.00 0.00 175.29 171.82 2yry s TRP 39 N -3.39 2.72 -0.33 9.60 0.52 -1.26 -0.65 118.94 126.14 2yry s TRP 39 Ca 0.01 -1.09 -0.13 0.00 0.02 0.00 0.00 56.10 54.91 2yry s TRP 39 Cb 0.02 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.48 2yry s TRP 39 CO -0.09 -0.48 0.24 -0.80 0.02 0.00 0.00 176.95 175.85 2yry s ASN 40 N 0.69 6.07 -0.30 2.95 0.01 -0.60 -4.85 114.94 118.91 2yry s ASN 40 Ca -0.09 -0.36 -0.28 0.00 -0.71 0.00 0.00 52.86 51.42 2yry s ASN 40 Cb -0.16 -2.14 0.01 0.00 0.41 0.00 0.00 41.25 39.37 2yry s ASN 40 CO 0.01 -0.22 1.02 -0.75 -1.51 0.00 0.00 177.10 175.66 2yry s LYS 41 N 1.75 4.09 0.10 -0.60 2.20 -1.26 -0.49 119.74 125.52 2yry s LYS 41 Ca 0.07 1.05 -0.00 0.00 -0.36 0.00 0.00 55.97 56.73 2yry s LYS 41 Cb -0.17 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 2yry s LYS 41 CO 0.11 -0.81 -0.00 1.03 -0.36 0.00 0.00 175.35 175.31 2yry s ARG 42 N 3.46 0.81 -0.27 4.03 1.81 -0.86 -5.00 118.95 122.92 2yry s ARG 42 Ca 0.43 -1.35 -0.29 0.00 -1.72 0.00 0.00 55.73 52.81 2yry s ARG 42 Cb -0.13 0.10 -0.00 0.00 -0.45 0.00 0.00 34.95 34.47 2yry s ARG 42 CO 0.13 -0.15 1.32 -0.46 -0.68 0.00 0.00 175.30 175.46 2yry s TRP 43 N -3.89 2.67 -0.16 -0.53 -0.00 -0.98 -2.55 118.94 113.51 2yry s TRP 43 Ca 0.15 0.87 -0.07 0.00 -0.00 0.00 0.00 56.10 57.05 2yry s TRP 43 Cb 0.07 -3.85 -0.04 0.00 -0.00 0.00 0.00 33.47 29.65 2yry s TRP 43 CO -0.04 -1.79 0.09 -0.06 -0.00 0.00 0.00 176.95 175.15 2yry s PHE 44 N 4.29 3.38 -0.02 5.86 0.40 -1.05 -0.38 117.98 130.45 2yry s PHE 44 Ca 0.57 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.19 2yry s PHE 44 Cb -0.18 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.35 2yry s PHE 44 CO 0.22 0.40 0.01 0.08 0.70 0.00 0.00 175.22 176.63 2yry s VAL 45 N -0.20 0.10 -0.34 -0.44 1.01 0.64 -1.39 120.40 119.78 2yry s VAL 45 Ca 0.09 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 2yry s VAL 45 Cb -0.12 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.07 2yry s VAL 45 CO 0.01 0.12 0.20 -0.22 0.00 0.00 0.00 175.10 175.20 2yry s LEU 46 N 0.92 4.45 -0.01 3.92 2.96 0.98 0.15 118.68 132.05 2yry s LEU 46 Ca -0.09 -0.70 -0.00 0.00 -0.22 0.00 0.00 54.13 53.12 2yry s LEU 46 Cb -0.12 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.54 2yry s LEU 46 CO -0.02 -0.28 0.03 -0.69 -1.32 0.00 0.00 176.35 174.06 2yry s VAL 47 N 1.61 -0.02 -1.14 1.68 1.01 -0.08 0.13 120.40 123.60 2yry s VAL 47 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2yry s VAL 47 Cb -0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 2yry s VAL 47 CO 0.07 0.04 0.96 -0.67 0.00 0.00 0.00 175.10 175.50 2yry n ASP 48 N 3.54 -3.56 -2.77 3.32 -0.08 -1.26 -1.98 116.55 113.75 2yry n ASP 48 Ca -0.19 -0.64 -0.11 0.00 -1.51 0.00 0.00 54.79 52.34 2yry n ASP 48 Cb 0.56 -5.11 -0.01 0.00 2.34 0.00 0.00 41.12 38.90 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 -3.80 -2.65 -4.07 -0.67 0.63 -1.26 -4.89 116.66 99.94 2yry n ARG 49 Ca -0.21 0.28 -0.09 0.00 -0.92 0.00 0.00 57.85 56.90 2yry n ARG 49 Cb 0.65 -4.85 -0.11 0.00 0.45 0.00 0.00 32.46 28.60 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yry s LEU 51 N -2.27 4.16 -0.11 0.00 0.20 -1.00 -0.90 118.68 118.77 2yry s LEU 51 Ca -0.02 0.23 -0.01 0.00 0.69 0.00 0.00 54.13 55.03 2yry s LEU 51 Cb -0.01 -2.06 0.03 0.00 -0.43 0.00 0.00 46.19 43.71 2yry s LEU 51 CO -0.04 0.21 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.82 2yry s PHE 52 N 0.18 1.24 -0.23 5.38 0.08 0.12 -2.46 117.98 122.30 2yry s PHE 52 Ca 0.08 -0.60 -0.07 0.00 0.12 0.00 0.00 56.93 56.47 2yry s PHE 52 Cb -0.11 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2yry s PHE 52 CO -0.01 -0.47 0.06 1.52 -0.10 0.00 0.00 175.22 176.22 2yry s TYR 53 N 1.79 3.11 0.33 0.36 1.13 -1.24 -0.26 117.35 122.57 2yry s TYR 53 Ca 0.05 -0.31 0.08 0.00 -1.41 0.00 0.00 57.07 55.48 2yry s TYR 53 Cb -0.13 -2.18 -0.04 0.00 -1.10 0.00 0.00 41.96 38.52 2yry s TYR 53 CO -0.07 -0.22 0.18 0.71 -2.51 0.00 0.00 175.55 173.64 2yry s TYR 54 N 1.23 2.79 0.33 -3.49 1.51 0.49 -3.34 117.35 116.87 2yry s TYR 54 Ca 0.04 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 2yry s TYR 54 Cb -0.14 -1.64 0.57 0.00 -0.11 0.00 0.00 41.96 40.63 2yry s TYR 54 CO 0.03 0.32 1.88 1.57 -1.11 0.00 0.00 175.55 178.25 2yry h LYS 55 N 1.48 0.62 0.00 -0.62 2.10 -1.86 -2.60 116.57 115.70 2yry h LYS 55 Ca -0.44 -0.12 -0.13 0.00 -2.00 0.00 0.00 60.65 57.96 2yry h LYS 55 Cb 1.25 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2yry h LYS 55 CO 0.61 0.59 0.04 -3.47 -2.00 0.00 0.00 179.45 175.22 2yry n ASP 56 N -4.30 -1.42 0.23 7.07 2.03 -1.26 -4.49 116.55 114.42 2yry n ASP 56 Ca 0.02 -2.38 0.16 0.00 0.52 0.00 0.00 54.79 53.11 2yry n ASP 56 Cb 0.21 2.48 0.77 0.00 -0.72 0.00 0.00 41.12 43.86 2yry n ASP 56 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2yry h GLU 57 N 0.00 0.00 -0.88 -0.67 5.08 -1.95 -2.57 114.58 113.59 2yry h GLU 57 Ca -0.24 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2yry h GLU 57 Cb 0.95 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 2yry h GLU 57 CO 0.31 0.00 0.58 0.87 -1.00 0.00 0.00 179.01 179.77 2yry h LYS 58 N 0.00 1.06 -5.87 2.33 1.79 -1.98 -3.46 116.57 110.43 2yry h LYS 58 Ca 0.00 -0.06 -0.38 0.00 -2.18 0.00 0.00 60.65 58.03 2yry h LYS 58 Cb 0.19 -0.24 0.11 0.00 -1.58 0.00 0.00 32.23 30.72 2yry h LYS 58 CO 0.00 0.70 -0.80 0.39 -1.08 0.00 0.00 179.45 178.66 2yry n GLU 59 N -4.45 -5.82 -0.11 3.15 1.02 -0.97 -4.91 120.64 108.55 2yry n GLU 59 Ca 0.12 0.74 -0.11 0.00 -0.02 0.00 0.00 57.16 57.89 2yry n GLU 59 Cb 0.12 -5.53 -0.03 0.00 -0.02 0.00 0.00 31.44 25.98 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 -1.90 0.56 -2.46 3.49 4.39 -1.90 -3.46 114.58 113.31 2yry h GLU 60 Ca -0.60 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 58.84 2yry h GLU 60 Cb 1.35 -0.06 -0.21 0.00 -0.10 0.00 0.00 28.75 29.74 2yry h GLU 60 CO 0.53 0.68 -0.04 -1.12 -1.16 0.00 0.00 179.01 177.90 2yry s SER 61 N -6.04 -0.49 -0.26 1.42 0.01 -1.26 -5.13 113.70 101.96 2yry s SER 61 Ca -0.13 0.68 -0.29 0.00 1.31 0.00 0.00 55.95 57.51 2yry s SER 61 Cb 0.09 0.69 -0.01 0.00 0.21 0.00 0.00 66.02 66.99 2yry s SER 61 CO 0.77 -0.41 1.44 -0.63 0.41 0.00 0.00 173.24 174.82 2yry s ILE 62 N -0.68 3.95 0.18 1.44 1.01 -1.26 -4.66 121.20 121.19 2yry s ILE 62 Ca -0.08 1.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.63 2yry s ILE 62 Cb -0.03 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 2yry s ILE 62 CO 0.05 -0.38 1.46 -0.07 0.00 0.00 0.00 174.94 176.00 2yry h LEU 63 N 11.16 0.54 -7.00 2.97 3.38 -1.95 -3.46 115.31 120.96 2yry h LEU 63 Ca -0.29 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.43 2yry h LEU 63 Cb 1.12 -0.16 -0.25 0.00 0.09 0.00 0.00 40.66 41.46 2yry h LEU 63 CO 1.02 1.05 0.26 -0.83 0.09 0.00 0.00 178.44 180.03 2yry s GLY 64 N -4.23 -0.21 0.08 0.83 0.00 -1.26 -5.09 107.32 97.43 2yry s GLY 64 Ca -0.06 2.90 0.02 0.00 0.00 0.00 0.00 44.72 47.58 2yry s GLY 64 CO 0.84 2.53 0.13 -1.35 0.00 0.00 0.00 173.10 175.25 2yry s SER 65 N 1.44 5.82 -0.17 1.64 1.04 -1.26 -3.64 113.70 118.56 2yry s SER 65 Ca -0.09 0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 2yry s SER 65 Cb -0.04 -1.65 0.09 0.00 0.10 0.00 0.00 66.02 64.52 2yry s SER 65 CO -0.17 0.16 0.28 -0.63 0.98 0.00 0.00 173.24 173.87 2yry s ILE 66 N -1.45 -0.44 -0.17 -1.02 1.01 -1.03 -5.05 121.20 113.06 2yry s ILE 66 Ca 0.31 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 2yry s ILE 66 Cb -0.12 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2yry s ILE 66 CO 0.24 -0.02 1.57 -2.16 0.00 0.00 0.00 174.94 174.57 2yry s PRO 67 N 2.43 3.97 0.08 2.79 0.04 -1.26 -2.38 135.00 140.67 2yry s PRO 67 Ca 0.05 1.81 0.13 0.00 0.04 0.00 0.00 61.00 63.03 2yry s PRO 67 Cb -0.14 -3.98 -0.14 0.00 0.04 0.00 0.00 34.50 30.28 2yry s PRO 67 CO -0.11 -1.08 0.98 -0.07 0.04 0.00 0.00 177.00 176.76 2yry h LEU 68 N 10.98 0.00 -1.09 -3.56 3.38 -1.90 -3.32 115.31 119.79 2yry h LEU 68 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2yry h LEU 68 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2yry h LEU 68 CO 0.98 0.77 0.40 0.25 0.09 0.00 0.00 178.44 180.94 2yry h LEU 69 N 0.00 0.00 0.00 1.67 5.85 -1.69 0.71 115.31 121.85 2yry h LEU 69 Ca -0.14 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 2yry h LEU 69 Cb 1.71 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 2yry h LEU 69 CO 0.08 0.00 -1.87 -1.54 -0.34 0.00 0.00 178.44 174.77 2yry n SER 70 N -2.33 1.17 -4.92 1.25 3.41 -1.25 -4.22 113.62 106.74 2yry n SER 70 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.34 2yry n SER 70 Cb 0.43 1.46 0.02 0.00 -0.26 0.00 0.00 64.21 65.85 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2yry s PHE 71 N -2.89 3.33 -0.54 7.33 0.40 0.25 -4.58 117.98 121.29 2yry s PHE 71 Ca -0.07 0.63 0.07 0.00 -0.60 0.00 0.00 56.93 56.96 2yry s PHE 71 Cb 0.09 -2.56 0.24 0.00 0.51 0.00 0.00 43.02 41.30 2yry s PHE 71 CO 0.67 -0.61 0.64 2.89 0.70 0.00 0.00 175.22 179.51 2yry n ARG 72 N -2.42 1.72 -1.32 0.44 1.85 0.47 -4.34 116.66 113.06 2yry n ARG 72 Ca 0.03 -4.06 -0.43 0.00 -1.00 0.00 0.00 57.85 52.39 2yry n ARG 72 Cb 0.57 -1.84 -0.01 0.00 -1.05 0.00 0.00 32.46 30.13 2yry n ARG 72 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2yry n VAL 73 N 1.18 1.00 -3.65 8.89 0.31 -1.26 -4.35 118.33 120.45 2yry n VAL 73 Ca 0.26 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 64.07 2yry n VAL 73 Cb 0.46 -0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.32 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 -1.50 -2.33 1.03 3.52 0.00 -0.93 -4.76 121.76 116.80 2yry s ALA 74 Ca 0.60 2.14 -0.23 0.00 0.00 0.00 0.00 51.96 54.48 2yry s ALA 74 Cb -0.71 -1.74 -0.10 0.00 0.00 0.00 0.00 23.12 20.56 2yry s ALA 74 CO 0.61 -0.33 -0.94 0.00 0.00 0.00 0.00 175.76 175.10 2yry n ALA 75 N 3.49 -5.17 -2.12 0.00 0.00 -1.26 -2.37 120.51 113.07 2yry n ALA 75 Ca -0.18 -1.21 -0.12 0.00 0.00 0.00 0.00 53.44 51.94 2yry n ALA 75 Cb 0.57 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.57 0.00 -4.32 0.00 0.24 -0.85 -4.58 118.33 105.25 2yry n VAL 76 Ca -0.01 -0.71 -0.22 0.00 -2.04 0.00 0.00 64.34 61.36 2yry n VAL 76 Cb 0.68 -1.33 -0.11 0.00 -1.47 0.00 0.00 33.84 31.61 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 -4.02 1.25 0.00 7.34 1.11 -1.26 -5.01 119.66 119.07 2yry s GLN 77 Ca 0.36 -1.38 0.15 0.00 0.01 0.00 0.00 55.36 54.49 2yry s GLN 77 Cb -0.02 -1.31 0.89 0.00 -1.01 0.00 0.00 33.01 31.56 2yry s GLN 77 CO 0.24 0.27 1.31 -0.35 0.01 0.00 0.00 175.29 176.76 2yry n PRO 78 N 0.35 0.49 0.00 2.91 -0.04 -1.26 -1.77 135.00 135.68 2yry n PRO 78 Ca -0.14 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2yry n PRO 78 Cb 0.57 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2yry n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yry n SER 79 N -0.98 1.95 -4.93 3.54 7.64 -1.26 -4.99 113.62 114.58 2yry n SER 79 Ca 0.11 -1.47 -0.25 0.00 1.01 0.00 0.00 58.87 58.27 2yry n SER 79 Cb 0.05 0.26 0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2yry n SER 79 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2yry s ASP 80 N -1.64 5.56 -0.34 6.43 1.11 -0.73 -4.98 116.67 122.09 2yry s ASP 80 Ca 0.16 0.50 -0.04 0.00 0.18 0.00 0.00 52.55 53.35 2yry s ASP 80 Cb 0.13 -1.52 0.01 0.00 1.07 0.00 0.00 42.92 42.61 2yry s ASP 80 CO 0.31 -1.02 2.83 0.59 1.18 0.00 0.00 175.17 179.06 2yry n ASN 81 N -2.45 6.20 -4.72 0.27 3.02 -1.26 -4.92 115.26 111.40 2yry n ASN 81 Ca 0.04 -3.03 -0.37 0.00 -0.03 0.00 0.00 54.58 51.20 2yry n ASN 81 Cb 0.58 -1.24 -0.07 0.00 -0.61 0.00 0.00 39.78 38.44 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2yry s ILE 82 N -1.56 5.26 0.05 2.41 -1.09 -1.26 -4.98 121.20 120.02 2yry s ILE 82 Ca 0.56 0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 59.57 2yry s ILE 82 Cb 0.34 -3.70 -0.32 0.00 -1.58 0.00 0.00 42.46 37.20 2yry s ILE 82 CO -0.15 0.35 1.05 0.28 -1.23 0.00 0.00 174.94 175.24 2yry h SER 83 N 6.78 0.65 -3.85 3.58 0.02 -2.01 -3.46 113.55 115.26 2yry h SER 83 Ca -0.40 -0.71 -0.49 0.00 -0.84 0.00 0.00 61.79 59.35 2yry h SER 83 Cb 1.17 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2yry h SER 83 CO 0.75 1.56 0.19 -0.13 -1.14 0.00 0.00 176.83 178.06 2yry s ARG 84 N -2.62 3.88 -0.07 3.45 3.00 -1.26 -5.03 118.95 120.30 2yry s ARG 84 Ca -0.07 0.66 -0.01 0.00 0.00 0.00 0.00 55.73 56.31 2yry s ARG 84 Cb 0.05 -2.32 -0.00 0.00 0.00 0.00 0.00 34.95 32.68 2yry s ARG 84 CO 0.92 -0.07 -0.01 0.87 0.00 0.00 0.00 175.30 177.00 2yry h LYS 85 N 1.36 0.00 -5.94 3.54 1.57 -1.90 -3.41 116.57 111.79 2yry h LYS 85 Ca -0.47 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 2yry h LYS 85 Cb 1.18 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.41 2yry h LYS 85 CO 0.63 0.00 1.77 -1.01 -0.57 0.00 0.00 179.45 180.27 2yry s HIS 86 N -1.40 2.58 0.16 -1.35 0.09 -1.26 -4.92 115.29 109.19 2yry s HIS 86 Ca -0.01 -1.07 0.05 0.00 -0.00 0.00 0.00 55.06 54.04 2yry s HIS 86 Cb 0.00 -4.66 -0.04 0.00 -0.00 0.00 0.00 32.58 27.88 2yry s HIS 86 CO 0.02 -1.83 -0.12 0.99 -0.00 0.00 0.00 174.74 173.80 2yry s THR 87 N 5.21 1.32 -0.19 1.30 2.01 -1.26 -1.74 115.64 122.29 2yry s THR 87 Ca 0.52 -2.04 -0.12 0.00 0.31 0.00 0.00 61.69 60.36 2yry s THR 87 Cb 0.02 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.74 2yry s THR 87 CO 0.00 -0.67 0.47 0.72 -0.69 0.00 0.00 174.62 174.46 2yry s PHE 88 N -3.07 -0.65 0.07 4.92 -0.71 -0.06 -2.01 117.98 116.46 2yry s PHE 88 Ca 0.17 1.42 0.08 0.00 -1.04 0.00 0.00 56.93 57.56 2yry s PHE 88 Cb 0.01 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 2yry s PHE 88 CO 0.02 -0.35 -0.21 -1.59 -1.34 0.00 0.00 175.22 171.76 2yry s LYS 89 N 1.12 1.89 -0.07 1.99 0.00 -1.00 -0.68 119.74 122.98 2yry s LYS 89 Ca -0.07 -1.08 0.01 0.00 0.00 0.00 0.00 55.97 54.83 2yry s LYS 89 Cb -0.06 -2.10 -0.03 0.00 0.00 0.00 0.00 37.83 35.63 2yry s LYS 89 CO -0.10 0.51 -0.08 0.00 0.00 0.00 0.00 175.35 175.68 2yry s ALA 90 N -0.96 2.94 0.12 0.59 0.00 0.25 -2.18 121.76 122.52 2yry s ALA 90 Ca 0.15 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.25 2yry s ALA 90 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 2yry s ALA 90 CO 0.06 0.55 -0.11 -1.83 0.00 0.00 0.00 175.76 174.43 2yry s GLU 91 N -0.73 0.96 0.00 0.00 1.03 -1.26 0.83 118.70 119.52 2yry s GLU 91 Ca 0.11 -1.28 0.04 0.00 0.03 0.00 0.00 54.97 53.87 2yry s GLU 91 Cb -0.11 -0.64 0.03 0.00 -0.80 0.00 0.00 34.13 32.61 2yry s GLU 91 CO 0.01 0.10 0.60 1.58 -1.33 0.00 0.00 175.26 176.23 2yry n HIS 92 N 0.28 0.00 -3.69 4.83 -0.00 -1.08 -0.40 115.22 115.17 2yry n HIS 92 Ca -0.14 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.83 2yry n HIS 92 Cb 0.59 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.49 2yry n HIS 92 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2yry n ALA 93 N 0.17 -1.96 0.00 1.57 0.00 -1.26 -4.50 120.51 114.53 2yry n ALA 93 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2yry n ALA 93 Cb 0.09 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 -1.54 0.88 0.00 0.00 0.00 -1.26 -5.05 105.19 98.22 2yry n GLY 94 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -3.72 1.61 0.31 -1.26 -5.12 118.33 110.14 2yry n VAL 95 Ca 0.00 0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 2yry n VAL 95 Cb 0.00 -1.13 0.02 0.00 -0.91 0.00 0.00 33.84 31.82 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 -1.80 0.62 -3.83 5.55 1.85 -1.26 -5.04 116.66 112.75 2yry n ARG 96 Ca 0.00 -1.32 -0.29 0.00 -1.00 0.00 0.00 57.85 55.24 2yry n ARG 96 Cb 0.00 1.73 -0.16 0.00 -1.05 0.00 0.00 32.46 32.98 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 -2.23 1.03 0.41 8.89 2.01 -1.26 -2.63 115.64 121.86 2yry s THR 97 Ca 0.16 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 2yry s THR 97 Cb -0.03 -1.44 -0.07 0.00 0.01 0.00 0.00 72.50 70.97 2yry s THR 97 CO 0.06 -0.20 0.80 -0.31 -0.69 0.00 0.00 174.62 174.28 2yry s TYR 98 N 1.62 3.45 0.13 4.92 2.02 0.24 -4.84 117.35 124.89 2yry s TYR 98 Ca -0.02 1.14 0.11 0.00 -0.37 0.00 0.00 57.07 57.92 2yry s TYR 98 Cb -0.18 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 2yry s TYR 98 CO -0.08 -0.11 -0.26 -0.06 -1.57 0.00 0.00 175.55 173.46 2yry s PHE 99 N -2.35 2.26 -0.24 2.71 0.40 -1.26 0.84 117.98 120.34 2yry s PHE 99 Ca 0.53 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.42 2yry s PHE 99 Cb -0.10 -1.22 0.12 0.00 0.51 0.00 0.00 43.02 42.33 2yry s PHE 99 CO 0.29 0.34 0.47 -0.06 0.70 0.00 0.00 175.22 176.96 2yry s PHE 100 N -1.12 -0.99 0.21 0.36 0.08 0.14 -3.45 117.98 113.21 2yry s PHE 100 Ca 0.14 1.52 0.06 0.00 0.12 0.00 0.00 56.93 58.76 2yry s PHE 100 Cb -0.10 0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 42.67 2yry s PHE 100 CO 0.06 -0.62 0.21 0.45 -0.10 0.00 0.00 175.22 175.23 2yry s SER 101 N 2.67 5.75 0.06 1.36 0.15 -0.90 -0.88 113.70 121.91 2yry s SER 101 Ca 0.04 -0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.63 2yry s SER 101 Cb -0.13 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.60 2yry s SER 101 CO -0.15 0.00 -0.16 0.00 1.20 0.00 0.00 173.24 174.13 2yry s ALA 102 N -1.94 1.31 0.13 5.45 0.00 -0.71 -2.64 121.76 123.36 2yry s ALA 102 Ca 0.33 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 2yry s ALA 102 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2yry s ALA 102 CO 0.25 0.24 1.53 0.93 0.00 0.00 0.00 175.76 178.72 2yry h GLU 103 N 4.63 0.79 -6.66 0.00 3.07 -1.91 -3.42 114.58 111.07 2yry h GLU 103 Ca -0.40 -0.30 -0.66 0.00 -0.50 0.00 0.00 59.36 57.49 2yry h GLU 103 Cb 1.18 -0.04 -0.19 0.00 -0.84 0.00 0.00 28.75 28.86 2yry h GLU 103 CO 0.42 0.92 -0.82 -1.12 -1.40 0.00 0.00 179.01 177.01 2yry s SER 104 N -6.40 3.58 0.53 1.42 0.01 -1.26 -4.98 113.70 106.59 2yry s SER 104 Ca -0.12 -0.77 0.31 0.00 1.31 0.00 0.00 55.95 56.68 2yry s SER 104 Cb 0.10 -0.35 1.30 0.00 0.21 0.00 0.00 66.02 67.29 2yry s SER 104 CO 0.82 0.14 1.97 1.55 0.41 0.00 0.00 173.24 178.12 2yry h PRO 105 N 3.35 0.00 0.00 12.44 0.13 -1.92 -2.58 132.00 143.42 2yry h PRO 105 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.07 0.00 0.93 -0.23 0.00 0.00 178.00 179.23 2yry h GLU 106 N 0.00 0.00 0.00 0.86 5.08 -1.99 -2.98 114.58 115.55 2yry h GLU 106 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2yry h GLU 106 Cb 0.54 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2yry h GLU 106 CO 0.01 0.00 -1.52 0.39 -1.00 0.00 0.00 179.01 176.89 2yry n GLU 107 N -2.60 0.56 -0.05 2.33 1.02 -0.98 -3.52 120.64 117.40 2yry n GLU 107 Ca 0.02 0.50 -0.09 0.00 -0.02 0.00 0.00 57.16 57.57 2yry n GLU 107 Cb 0.31 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 2yry n GLU 107 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2yry h GLN 108 N -1.00 -0.28 -0.03 3.49 4.15 -1.58 0.44 115.11 120.29 2yry h GLN 108 Ca -0.41 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.04 2yry h GLN 108 Cb 1.33 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 2yry h GLN 108 CO -0.25 -0.19 -0.02 1.05 -1.93 0.00 0.00 178.83 177.49 2yry h GLU 109 N -0.30 -0.02 -0.60 1.69 4.11 -1.74 -0.26 114.58 117.46 2yry h GLU 109 Ca 0.13 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.62 2yry h GLU 109 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2yry h GLU 109 CO -0.42 -0.01 0.40 0.00 0.07 0.00 0.00 179.01 179.05 2yry h ALA 110 N 1.01 1.76 -0.25 1.06 0.00 -1.45 -1.65 119.26 119.74 2yry h ALA 110 Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2yry h ALA 110 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2yry h ALA 110 CO -0.05 0.16 -0.39 -1.49 0.00 0.00 0.00 179.25 177.48 2yry h TRP 111 N 0.64 0.88 -0.89 0.00 4.06 0.47 -3.18 115.95 117.93 2yry h TRP 111 Ca 0.25 -0.30 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2yry h TRP 111 Cb 0.20 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 2yry h TRP 111 CO -0.00 1.07 0.50 0.82 -3.56 0.00 0.00 178.44 177.27 2yry h ILE 112 N 0.44 1.25 -0.55 1.49 2.04 -0.36 0.25 117.51 122.07 2yry h ILE 112 Ca 0.02 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.36 2yry h ILE 112 Cb 0.99 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 2yry h ILE 112 CO 0.09 0.28 0.15 1.56 0.00 0.00 0.00 178.15 180.23 2yry h GLN 113 N 1.23 0.29 0.03 2.37 4.20 -1.31 1.60 115.11 123.52 2yry h GLN 113 Ca 0.31 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 2yry h GLN 113 Cb 0.01 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2yry h GLN 113 CO -0.05 0.19 -0.01 0.00 -0.67 0.00 0.00 178.83 178.29 2yry h ALA 114 N 1.41 -0.03 0.73 3.87 0.00 -1.48 -3.05 119.26 120.70 2yry h ALA 114 Ca 0.28 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2yry h ALA 114 Cb 0.37 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2yry h ALA 114 CO -0.33 -0.06 -0.35 0.52 0.00 0.00 0.00 179.25 179.03 2yry h MET 115 N -0.94 -0.94 -0.74 0.00 2.86 -0.40 0.29 114.93 115.06 2yry h MET 115 Ca -0.00 0.06 0.15 0.00 -2.06 0.00 0.00 59.70 57.85 2yry h MET 115 Cb 0.69 0.21 -0.14 0.00 0.06 0.00 0.00 31.60 32.42 2yry h MET 115 CO 0.01 -0.63 -0.19 0.78 1.06 0.00 0.00 176.91 177.93 2yry h GLY 116 N -1.12 0.50 0.64 8.32 0.00 0.22 0.58 103.07 112.21 2yry h GLY 116 Ca -0.10 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2yry h GLY 116 CO 0.16 -0.28 -0.08 0.83 0.00 0.00 0.00 176.54 177.18 2yry h GLU 117 N -0.01 -0.21 -0.12 4.80 5.08 -1.53 -2.36 114.58 120.23 2yry h GLU 117 Ca 0.35 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2yry h GLU 117 Cb 0.54 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2yry h GLU 117 CO -0.76 0.14 0.19 0.00 -1.00 0.00 0.00 179.01 177.57 2yry h ALA 118 N 0.18 1.59 0.07 3.43 0.00 0.49 0.22 119.26 125.23 2yry h ALA 118 Ca -0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2yry h ALA 118 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2yry h ALA 118 CO 0.04 -0.25 -1.18 0.00 0.00 0.00 0.00 179.25 177.85 2yry h ALA 119 N 1.74 0.23 -1.30 0.00 0.00 0.35 -3.31 119.26 116.95 2yry h ALA 119 Ca 0.06 -0.93 -0.69 0.00 0.00 0.00 0.00 54.91 53.34 2yry h ALA 119 Cb 0.43 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 18.28 2yry h ALA 119 CO -0.00 1.11 -0.06 2.89 0.00 0.00 0.00 179.25 183.20 2yry n ARG 120 N -3.44 0.46 -0.00 0.00 1.85 0.06 -3.97 116.66 111.62 2yry n ARG 120 Ca -0.06 0.16 0.01 0.00 -1.00 0.00 0.00 57.85 56.96 2yry n ARG 120 Cb 0.99 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.90 2yry n ARG 120 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2yry n VAL 121 N 0.96 0.00 1.42 8.89 3.14 -1.26 -4.89 118.33 126.59 2yry n VAL 121 Ca 0.17 -0.33 0.14 0.00 -2.96 0.00 0.00 64.34 61.36 2yry n VAL 121 Cb 0.20 0.83 0.45 0.00 -1.06 0.00 0.00 33.84 34.26 2yry n VAL 121 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04