#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yry n SER 2 N 0.00 1.84 -3.68 1.61 3.41 -1.26 -5.01 113.62 110.53 2yry n SER 2 Ca 0.00 0.50 -0.14 0.00 -0.26 0.00 0.00 58.87 58.97 2yry n SER 2 Cb 0.00 -0.93 -0.09 0.00 -0.26 0.00 0.00 64.21 62.94 2yry n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yry s SER 3 N -6.47 -0.56 -0.40 4.04 0.15 -1.26 -5.09 113.70 104.11 2yry s SER 3 Ca -0.24 1.05 0.10 0.00 0.70 0.00 0.00 55.95 57.55 2yry s SER 3 Cb 0.05 1.06 0.33 0.00 -1.71 0.00 0.00 66.02 65.75 2yry s SER 3 CO 0.46 -0.22 0.84 0.61 1.20 0.00 0.00 173.24 176.13 2yry n GLY 4 N 2.65 2.58 3.74 9.45 0.00 -1.26 -5.12 105.19 117.23 2yry n GLY 4 Ca -0.14 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.01 6.65 -0.02 1.61 0.15 -1.26 -5.02 113.70 113.80 2yry s SER 5 Ca 0.34 2.66 -0.01 0.00 0.70 0.00 0.00 55.95 59.64 2yry s SER 5 Cb 0.32 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 2yry s SER 5 CO -0.08 -0.72 0.05 -0.94 1.20 0.00 0.00 173.24 172.75 2yry s SER 6 N 0.47 -0.02 0.00 5.45 1.04 -1.26 -5.11 113.70 114.27 2yry s SER 6 Ca 0.61 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2yry s SER 6 Cb -0.42 0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2yry s SER 6 CO 0.42 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.19 2yry n GLY 7 N 3.44 2.86 3.84 7.32 0.00 -1.26 -5.15 105.19 116.24 2yry n GLY 7 Ca -0.17 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 2yry n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yry s GLY 8 N 0.00 1.90 -0.02 -0.02 0.00 -1.26 -5.01 107.32 102.92 2yry s GLY 8 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 44.72 44.63 2yry s GLY 8 CO 0.00 0.42 1.02 1.70 0.00 0.00 0.00 173.10 176.24 2yry h LYS 9 N 0.20 -0.42 0.00 2.90 1.63 -2.01 -3.43 116.57 115.44 2yry h LYS 9 Ca -0.46 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.27 2yry h LYS 9 Cb 1.20 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 2yry h LYS 9 CO 0.60 -0.10 -1.26 -2.13 -3.45 0.00 0.00 179.45 173.12 2yry n ARG 10 N -5.10 0.14 -3.69 1.90 3.00 -1.26 -5.08 116.66 106.56 2yry n ARG 10 Ca -0.09 0.06 -0.13 0.00 -0.00 0.00 0.00 57.85 57.69 2yry n ARG 10 Cb 0.27 -0.73 -0.09 0.00 0.00 0.00 0.00 32.46 31.91 2yry n ARG 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2yry s SER 11 N -5.63 -0.57 -0.15 6.15 0.15 -1.26 -5.07 113.70 107.31 2yry s SER 11 Ca -0.09 1.08 -0.16 0.00 0.70 0.00 0.00 55.95 57.47 2yry s SER 11 Cb 0.03 1.07 -0.13 0.00 -1.71 0.00 0.00 66.02 65.28 2yry s SER 11 CO 0.11 -0.19 0.24 -0.74 1.20 0.00 0.00 173.24 173.86 2yry h HIS 12 N 5.57 0.00 -3.59 3.44 2.76 -1.98 -3.48 115.15 117.87 2yry h HIS 12 Ca -0.29 0.00 -0.67 0.00 -2.20 0.00 0.00 60.37 57.22 2yry h HIS 12 Cb 1.18 0.00 -0.16 0.00 1.55 0.00 0.00 27.41 29.97 2yry h HIS 12 CO 0.36 0.72 -0.75 -1.54 -1.30 0.00 0.00 177.93 175.42 2yry s SER 13 N -6.16 4.29 -0.04 3.26 1.04 -1.26 -5.10 113.70 109.72 2yry s SER 13 Ca -0.17 -0.42 -0.29 0.00 0.48 0.00 0.00 55.95 55.55 2yry s SER 13 Cb 0.01 -0.78 -0.03 0.00 0.10 0.00 0.00 66.02 65.33 2yry s SER 13 CO 0.41 0.18 0.96 -0.04 0.98 0.00 0.00 173.24 175.73 2yry s MET 14 N -2.19 4.51 -0.02 4.02 1.00 -1.26 -5.04 119.30 120.31 2yry s MET 14 Ca 0.21 1.35 -0.04 0.00 0.00 0.00 0.00 55.69 57.21 2yry s MET 14 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 34.83 31.24 2yry s MET 14 CO 0.13 -0.12 0.10 0.15 0.00 0.00 0.00 175.02 175.28 2yry s LYS 15 N 1.28 0.24 0.01 2.03 1.02 -1.26 -4.89 119.74 118.17 2yry s LYS 15 Ca 0.49 -0.08 -0.22 0.00 0.02 0.00 0.00 55.97 56.18 2yry s LYS 15 Cb -0.20 0.10 -0.05 0.00 -0.52 0.00 0.00 37.83 37.16 2yry s LYS 15 CO 0.24 -0.04 0.65 0.50 -0.92 0.00 0.00 175.35 175.77 2yry s ARG 16 N -0.50 4.37 0.08 1.68 3.52 -1.26 -5.06 118.95 121.78 2yry s ARG 16 Ca -0.06 0.83 -0.16 0.00 -0.13 0.00 0.00 55.73 56.22 2yry s ARG 16 Cb -0.04 -3.35 -0.06 0.00 -1.56 0.00 0.00 34.95 29.94 2yry s ARG 16 CO 0.00 0.34 0.51 -0.80 -0.81 0.00 0.00 175.30 174.54 2yry s ASN 17 N -0.15 6.88 0.16 -2.12 0.01 -1.26 -5.00 114.94 113.46 2yry s ASN 17 Ca 0.33 1.08 -0.09 0.00 -0.71 0.00 0.00 52.86 53.47 2yry s ASN 17 Cb -0.19 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.20 2yry s ASN 17 CO 0.19 0.22 1.50 1.55 -1.51 0.00 0.00 177.10 179.05 2yry h PRO 18 N 4.15 0.86 -0.82 -0.60 0.13 -1.99 -3.16 132.00 130.56 2yry h PRO 18 Ca -0.50 -0.45 -0.01 0.00 -0.87 0.00 0.00 66.00 64.18 2yry h PRO 18 Cb 1.21 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2yry h PRO 18 CO 0.64 1.09 0.49 -2.95 -0.23 0.00 0.00 178.00 177.04 2yry h ASN 19 N 0.70 1.00 -2.32 1.44 7.08 -2.05 -3.43 115.58 117.99 2yry h ASN 19 Ca 0.06 -0.07 -0.60 0.00 -3.08 0.00 0.00 56.30 52.60 2yry h ASN 19 Cb 0.97 -0.25 0.07 0.00 -2.08 0.00 0.00 38.32 37.03 2yry h ASN 19 CO 0.09 0.77 0.63 0.00 -2.08 0.00 0.00 177.43 176.84 2yry n ALA 20 N -2.36 0.74 -2.10 4.14 0.00 -1.20 -4.91 120.51 114.82 2yry n ALA 20 Ca 0.08 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 2yry n ALA 20 Cb 0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 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 0.21 4.37 -0.17 0.00 0.04 -1.26 -4.95 135.00 133.23 2yry s PRO 21 Ca 0.75 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.53 2yry s PRO 21 Cb -0.72 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2yry s PRO 21 CO 0.45 -0.32 1.68 0.54 0.04 0.00 0.00 177.00 179.39 2yry s VAL 22 N 0.58 3.59 0.03 -0.36 0.11 -1.26 -4.55 120.40 118.53 2yry s VAL 22 Ca 0.60 0.68 -0.28 0.00 -2.93 0.00 0.00 61.98 60.05 2yry s VAL 22 Cb -0.36 -3.57 -0.17 0.00 -1.53 0.00 0.00 36.38 30.76 2yry s VAL 22 CO 0.34 -0.20 1.30 0.74 -3.33 0.00 0.00 175.10 173.96 2yry h THR 23 N 6.04 0.36 -2.66 5.04 2.02 0.34 -3.46 112.91 120.59 2yry h THR 23 Ca -0.36 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 2yry h THR 23 Cb 1.17 0.47 -0.25 0.00 -1.74 0.00 0.00 68.15 67.81 2yry h THR 23 CO 0.98 0.04 -0.24 -0.75 0.37 0.00 0.00 175.52 175.93 2yry s LYS 24 N -5.06 0.47 -0.02 6.66 2.20 -1.11 -4.98 119.74 117.89 2yry s LYS 24 Ca -0.15 0.68 0.04 0.00 -0.36 0.00 0.00 55.97 56.18 2yry s LYS 24 Cb 0.02 0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2yry s LYS 24 CO 0.52 -0.10 -0.13 0.00 -0.36 0.00 0.00 175.35 175.28 2yry s ALA 25 N 0.68 1.18 -0.28 3.13 0.00 -1.26 -0.05 121.76 125.16 2yry s ALA 25 Ca -0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 2yry s ALA 25 Cb -0.05 -0.37 0.19 0.00 0.00 0.00 0.00 23.12 22.90 2yry s ALA 25 CO -0.05 0.24 1.35 0.20 0.00 0.00 0.00 175.76 177.50 2yry s GLY 26 N -0.07 0.09 -0.42 0.00 0.00 -0.77 -5.04 107.32 101.11 2yry s GLY 26 Ca 0.00 2.84 -0.28 0.00 0.00 0.00 0.00 44.72 47.28 2yry s GLY 26 CO 0.01 1.15 1.58 -0.98 0.00 0.00 0.00 173.10 174.85 2yry s TRP 27 N -0.97 2.12 0.46 1.90 0.52 -1.26 -2.12 118.94 119.60 2yry s TRP 27 Ca 0.08 0.64 0.06 0.00 0.02 0.00 0.00 56.10 56.90 2yry s TRP 27 Cb -0.01 -4.24 -0.01 0.00 -1.15 0.00 0.00 33.47 28.05 2yry s TRP 27 CO -0.08 -2.34 0.27 -0.51 0.02 0.00 0.00 176.95 174.32 2yry s LEU 28 N 6.29 2.97 -0.09 2.99 1.43 -0.90 -4.84 118.68 126.54 2yry s LEU 28 Ca 0.67 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2yry s LEU 28 Cb -0.16 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 2yry s LEU 28 CO 0.31 -0.77 -0.23 -0.36 0.23 0.00 0.00 176.35 175.53 2yry s PHE 29 N -2.65 2.42 -0.25 0.29 0.40 -1.22 -1.51 117.98 115.46 2yry s PHE 29 Ca 0.37 -0.92 -0.06 0.00 -0.60 0.00 0.00 56.93 55.73 2yry s PHE 29 Cb 0.00 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 2yry s PHE 29 CO 0.22 -0.35 0.03 0.21 0.70 0.00 0.00 175.22 176.02 2yry s LYS 30 N 0.24 3.40 0.53 0.44 2.20 -0.10 -2.12 119.74 124.34 2yry s LYS 30 Ca -0.15 -0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 54.64 2yry s LYS 30 Cb -0.17 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 2yry s LYS 30 CO 0.07 -0.26 0.57 0.94 -0.36 0.00 0.00 175.35 176.32 2yry n GLN 31 N 4.86 0.59 -2.10 4.03 7.27 -1.26 -2.40 117.38 128.36 2yry n GLN 31 Ca -0.17 0.23 -0.42 0.00 0.07 0.00 0.00 57.00 56.71 2yry n GLN 31 Cb 0.50 -1.70 -0.03 0.00 2.41 0.00 0.00 30.24 31.43 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 -1.64 3.64 -0.17 1.69 0.00 -0.86 -4.82 121.76 119.60 2yry s ALA 32 Ca 0.67 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 53.59 2yry s ALA 32 Cb -0.48 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 2yry s ALA 32 CO 0.55 -0.74 0.56 -1.12 0.00 0.00 0.00 175.76 175.01 2yry s SER 33 N 1.36 6.66 -1.71 0.00 0.01 -1.26 -4.23 113.70 114.53 2yry s SER 33 Ca 0.67 0.79 -0.13 0.00 1.31 0.00 0.00 55.95 58.59 2yry s SER 33 Cb -0.38 -2.32 0.13 0.00 0.21 0.00 0.00 66.02 63.66 2yry s SER 33 CO 0.30 -0.16 0.41 -0.24 0.41 0.00 0.00 173.24 173.96 2yry n SER 34 N 4.54 -0.97 -3.49 2.44 2.88 -1.26 -4.89 113.62 112.87 2yry n SER 34 Ca -0.04 -1.21 -0.15 0.00 -1.33 0.00 0.00 58.87 56.14 2yry n SER 34 Cb 0.51 -1.88 -0.06 0.00 -0.75 0.00 0.00 64.21 62.02 2yry n SER 34 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yry s GLY 35 N -3.74 1.66 0.55 0.46 0.00 -1.26 -5.14 107.32 99.86 2yry s GLY 35 Ca 0.47 -1.67 -0.20 0.00 0.00 0.00 0.00 44.72 43.33 2yry s GLY 35 CO 0.99 -1.18 0.89 1.55 0.00 0.00 0.00 173.10 175.35 2yry n VAL 36 N -0.52 3.09 -1.53 1.40 3.14 -1.26 -4.78 118.33 117.88 2yry n VAL 36 Ca 0.03 -0.50 -0.48 0.00 -2.96 0.00 0.00 64.34 60.43 2yry n VAL 36 Cb 0.62 -1.06 -0.05 0.00 -1.06 0.00 0.00 33.84 32.30 2yry n VAL 36 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2yry n LYS 37 N -0.53 1.53 -3.80 1.45 4.81 -1.26 -4.76 118.16 115.59 2yry n LYS 37 Ca 0.12 0.44 -0.02 0.00 -0.87 0.00 0.00 58.31 57.98 2yry n LYS 37 Cb 0.45 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.73 2yry n LYS 37 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2yry s GLN 38 N 6.03 0.99 -0.14 1.64 -2.07 -1.26 -5.07 119.66 119.79 2yry s GLN 38 Ca 1.04 -0.60 -0.03 0.00 -1.82 0.00 0.00 55.36 53.95 2yry s GLN 38 Cb -0.64 0.31 0.05 0.00 -1.09 0.00 0.00 33.01 31.63 2yry s GLN 38 CO 0.44 -0.46 0.05 -1.58 -1.32 0.00 0.00 175.29 172.42 2yry s TRP 39 N -2.55 0.55 -0.11 9.60 0.52 -1.26 -2.03 118.94 123.66 2yry s TRP 39 Ca 0.18 -0.38 -0.24 0.00 0.02 0.00 0.00 56.10 55.69 2yry s TRP 39 Cb -0.00 -0.79 -0.03 0.00 -1.15 0.00 0.00 33.47 31.49 2yry s TRP 39 CO 0.02 -0.46 0.74 -0.80 0.02 0.00 0.00 176.95 176.47 2yry s ASN 40 N 2.02 6.95 -0.16 2.95 0.01 -1.01 -4.86 114.94 120.84 2yry s ASN 40 Ca 0.02 1.15 -0.21 0.00 -0.71 0.00 0.00 52.86 53.11 2yry s ASN 40 Cb -0.15 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 2yry s ASN 40 CO -0.07 -0.23 0.64 -0.75 -1.51 0.00 0.00 177.10 175.18 2yry s LYS 41 N 1.37 4.28 0.06 -0.60 2.20 -1.26 -0.92 119.74 124.87 2yry s LYS 41 Ca 0.37 0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 56.62 2yry s LYS 41 Cb -0.17 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 2yry s LYS 41 CO 0.16 -0.13 0.06 1.03 -0.36 0.00 0.00 175.35 176.11 2yry s ARG 42 N 1.52 0.67 -0.26 4.03 1.81 -0.57 -5.00 118.95 121.15 2yry s ARG 42 Ca 0.31 -1.03 -0.29 0.00 -1.72 0.00 0.00 55.73 53.00 2yry s ARG 42 Cb -0.16 0.25 -0.00 0.00 -0.45 0.00 0.00 34.95 34.59 2yry s ARG 42 CO 0.12 -0.16 1.30 -0.46 -0.68 0.00 0.00 175.30 175.42 2yry s TRP 43 N -3.56 2.71 -0.14 -0.53 -0.00 -1.09 -2.11 118.94 114.22 2yry s TRP 43 Ca 0.03 0.90 -0.07 0.00 -0.00 0.00 0.00 56.10 56.96 2yry s TRP 43 Cb 0.05 -3.80 -0.04 0.00 -0.00 0.00 0.00 33.47 29.68 2yry s TRP 43 CO -0.09 -1.74 0.13 -0.06 -0.00 0.00 0.00 176.95 175.18 2yry s PHE 44 N 4.17 3.51 -0.03 5.86 0.40 -0.90 -0.78 117.98 130.21 2yry s PHE 44 Ca 0.56 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.34 2yry s PHE 44 Cb -0.18 -1.99 0.03 0.00 0.51 0.00 0.00 43.02 41.38 2yry s PHE 44 CO 0.21 0.59 -0.00 0.08 0.70 0.00 0.00 175.22 176.79 2yry s VAL 45 N -0.62 0.21 -0.34 -0.44 1.01 0.66 -1.85 120.40 119.02 2yry s VAL 45 Ca 0.13 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 2yry s VAL 45 Cb -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2yry s VAL 45 CO 0.02 0.15 0.19 -0.22 0.00 0.00 0.00 175.10 175.25 2yry s LEU 46 N 1.03 4.42 -0.03 3.92 2.96 0.92 0.02 118.68 131.91 2yry s LEU 46 Ca -0.10 -0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 2yry s LEU 46 Cb -0.14 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.54 2yry s LEU 46 CO -0.02 -0.27 0.06 -0.69 -1.32 0.00 0.00 176.35 174.12 2yry s VAL 47 N 1.62 -0.04 -1.11 1.68 1.01 -0.05 0.10 120.40 123.61 2yry s VAL 47 Ca 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 2yry s VAL 47 Cb -0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2yry s VAL 47 CO 0.07 0.06 0.95 -0.67 0.00 0.00 0.00 175.10 175.51 2yry n ASP 48 N 3.91 -4.21 -1.90 3.32 -0.08 -1.26 -1.84 116.55 114.50 2yry n ASP 48 Ca -0.24 -0.65 -0.06 0.00 -1.51 0.00 0.00 54.79 52.33 2yry n ASP 48 Cb 0.53 -5.09 -0.01 0.00 2.34 0.00 0.00 41.12 38.88 2yry n ASP 48 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yry n ARG 49 N -3.66 -1.95 -4.25 -0.67 1.74 -1.26 -4.88 116.66 101.72 2yry n ARG 49 Ca -0.18 0.34 -0.17 0.00 -0.77 0.00 0.00 57.85 57.07 2yry n ARG 49 Cb 0.64 -4.70 -0.11 0.00 -1.02 0.00 0.00 32.46 27.28 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 -2.66 3.55 -0.09 0.00 0.20 -1.07 -0.87 118.68 117.74 2yry s LEU 51 Ca 0.11 -0.00 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 2yry s LEU 51 Cb -0.03 -1.87 0.03 0.00 -0.43 0.00 0.00 46.19 43.89 2yry s LEU 51 CO 0.03 0.19 -0.02 -0.36 -0.29 0.00 0.00 176.35 175.90 2yry s PHE 52 N 0.25 0.96 -0.20 5.38 0.08 0.10 -2.75 117.98 121.81 2yry s PHE 52 Ca 0.01 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 2yry s PHE 52 Cb -0.13 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 2yry s PHE 52 CO 0.02 -0.41 0.02 1.52 -0.10 0.00 0.00 175.22 176.27 2yry s TYR 53 N 1.88 3.08 -0.03 0.36 1.13 -1.24 -0.24 117.35 122.29 2yry s TYR 53 Ca 0.05 -0.35 0.01 0.00 -1.41 0.00 0.00 57.07 55.37 2yry s TYR 53 Cb -0.13 -2.10 -0.03 0.00 -1.10 0.00 0.00 41.96 38.60 2yry s TYR 53 CO -0.06 -0.18 -0.01 0.71 -2.51 0.00 0.00 175.55 173.49 2yry s TYR 54 N 0.96 3.06 0.47 -3.49 1.51 0.04 -3.40 117.35 116.49 2yry s TYR 54 Ca 0.02 0.09 0.33 0.00 -1.01 0.00 0.00 57.07 56.50 2yry s TYR 54 Cb -0.14 -1.70 1.45 0.00 -0.11 0.00 0.00 41.96 41.46 2yry s TYR 54 CO 0.02 0.44 1.67 1.57 -1.11 0.00 0.00 175.55 178.14 2yry h LYS 55 N 4.66 0.10 0.00 -0.62 2.10 -1.87 -2.90 116.57 118.05 2yry h LYS 55 Ca -0.49 -0.01 -0.23 0.00 -2.00 0.00 0.00 60.65 57.93 2yry h LYS 55 Cb 1.18 -0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 32.43 2yry h LYS 55 CO 0.56 0.07 -0.19 -0.40 -2.00 0.00 0.00 179.45 177.48 2yry n ASP 56 N -4.47 -0.53 -1.70 7.07 5.68 -1.26 -4.57 116.55 116.78 2yry n ASP 56 Ca 0.35 -2.16 -0.07 0.00 -0.50 0.00 0.00 54.79 52.40 2yry n ASP 56 Cb 1.41 1.12 -0.00 0.00 -1.14 0.00 0.00 41.12 42.50 2yry n ASP 56 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2yry n GLU 57 N -0.34 1.38 -0.10 0.11 0.28 -1.26 -3.86 120.64 116.85 2yry n GLU 57 Ca 0.03 -0.65 -0.10 0.00 -0.16 0.00 0.00 57.16 56.27 2yry n GLU 57 Cb 0.33 -1.31 -0.15 0.00 1.43 0.00 0.00 31.44 31.75 2yry n GLU 57 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2yry n LYS 58 N 1.19 0.84 -3.65 3.44 5.02 -1.26 -5.02 118.16 118.72 2yry n LYS 58 Ca 0.15 0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.23 2yry n LYS 58 Cb 0.56 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.12 2yry n LYS 58 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2yry n GLU 59 N -2.78 -4.71 0.02 1.97 1.02 -1.25 -4.92 120.64 109.99 2yry n GLU 59 Ca -0.33 0.64 -0.02 0.00 -0.02 0.00 0.00 57.16 57.43 2yry n GLU 59 Cb 1.10 -5.20 -0.01 0.00 -0.02 0.00 0.00 31.44 27.31 2yry n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2yry n GLU 60 N -4.20 0.11 -3.69 3.49 -0.58 -1.26 -5.00 120.64 109.50 2yry n GLU 60 Ca -0.28 0.04 -0.38 0.00 -0.42 0.00 0.00 57.16 56.13 2yry n GLU 60 Cb 0.67 -0.66 -0.12 0.00 -0.57 0.00 0.00 31.44 30.76 2yry n GLU 60 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2yry s SER 61 N -5.85 5.39 -0.17 1.62 0.15 -1.26 -5.07 113.70 108.51 2yry s SER 61 Ca -0.06 -0.53 -0.29 0.00 0.70 0.00 0.00 55.95 55.76 2yry s SER 61 Cb 0.01 -1.96 -0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2yry s SER 61 CO 0.09 -0.17 1.08 -0.63 1.20 0.00 0.00 173.24 174.80 2yry s ILE 62 N 1.58 4.62 0.01 6.45 1.01 -1.26 -4.53 121.20 129.08 2yry s ILE 62 Ca 0.04 1.93 -0.13 0.00 0.00 0.00 0.00 60.65 62.49 2yry s ILE 62 Cb -0.17 -4.24 -0.34 0.00 0.01 0.00 0.00 42.46 37.72 2yry s ILE 62 CO 0.05 -0.11 0.92 -0.07 0.00 0.00 0.00 174.94 175.73 2yry h LEU 63 N 9.00 0.74 -7.17 2.97 3.38 -1.96 -3.47 115.31 118.80 2yry h LEU 63 Ca -0.25 -0.87 -0.08 0.00 0.09 0.00 0.00 57.88 56.77 2yry h LEU 63 Cb 1.10 -0.24 -0.23 0.00 0.09 0.00 0.00 40.66 41.38 2yry h LEU 63 CO 0.94 1.70 -0.07 -0.83 0.09 0.00 0.00 178.44 180.26 2yry s GLY 64 N -4.75 -0.42 0.03 0.83 0.00 -1.26 -5.10 107.32 96.65 2yry s GLY 64 Ca -0.10 1.58 0.08 0.00 0.00 0.00 0.00 44.72 46.28 2yry s GLY 64 CO 0.92 1.39 -0.24 -0.56 0.00 0.00 0.00 173.10 174.60 2yry s SER 65 N 0.36 2.85 -0.04 1.64 0.01 -1.26 -3.59 113.70 113.67 2yry s SER 65 Ca -0.01 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 2yry s SER 65 Cb -0.04 -0.27 0.03 0.00 0.21 0.00 0.00 66.02 65.96 2yry s SER 65 CO -0.00 0.23 0.06 -0.63 0.41 0.00 0.00 173.24 173.31 2yry s ILE 66 N -0.74 -0.11 -0.70 1.44 1.01 -1.11 -5.05 121.20 115.93 2yry s ILE 66 Ca 0.10 0.42 -0.26 0.00 0.00 0.00 0.00 60.65 60.91 2yry s ILE 66 Cb -0.09 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 2yry s ILE 66 CO 0.01 0.18 1.89 -2.16 0.00 0.00 0.00 174.94 174.86 2yry s PRO 67 N 2.13 2.60 0.34 2.79 0.04 -1.26 -2.59 135.00 139.05 2yry s PRO 67 Ca 0.04 0.32 0.09 0.00 0.04 0.00 0.00 61.00 61.50 2yry s PRO 67 Cb -0.12 -4.60 0.60 0.00 0.04 0.00 0.00 34.50 30.41 2yry s PRO 67 CO -0.03 -2.94 1.78 -0.07 0.04 0.00 0.00 177.00 175.77 2yry h LEU 68 N 16.90 0.15 -1.13 -3.56 3.38 -1.87 -2.70 115.31 126.47 2yry h LEU 68 Ca -0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2yry h LEU 68 Cb 1.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2yry h LEU 68 CO 1.22 0.50 0.39 0.25 0.09 0.00 0.00 178.44 180.88 2yry h LEU 69 N 0.13 0.00 -3.64 1.67 5.85 -1.51 0.45 115.31 118.25 2yry h LEU 69 Ca 0.01 0.00 -0.46 0.00 0.84 0.00 0.00 57.88 58.27 2yry h LEU 69 Cb 0.70 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.40 2yry h LEU 69 CO 0.05 0.00 -0.54 -1.20 -0.34 0.00 0.00 178.44 176.42 2yry n SER 70 N -2.34 4.60 -3.73 1.25 7.64 -1.02 -4.58 113.62 115.44 2yry n SER 70 Ca -0.01 -3.78 -0.15 0.00 1.01 0.00 0.00 58.87 55.94 2yry n SER 70 Cb 0.41 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 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 -3.55 1.31 -0.40 1.43 0.40 0.16 -4.51 117.98 112.82 2yry s PHE 71 Ca 0.50 -1.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.42 2yry s PHE 71 Cb 0.42 -0.49 0.13 0.00 0.51 0.00 0.00 43.02 43.59 2yry s PHE 71 CO 0.02 -0.83 0.22 0.50 0.70 0.00 0.00 175.22 175.83 2yry s ARG 72 N -3.72 1.01 0.31 0.44 3.52 0.22 -4.03 118.95 116.70 2yry s ARG 72 Ca 0.37 -1.71 -0.29 0.00 -0.13 0.00 0.00 55.73 53.97 2yry s ARG 72 Cb 0.04 -1.98 -0.10 0.00 -1.56 0.00 0.00 34.95 31.34 2yry s ARG 72 CO 0.19 -1.16 1.27 0.08 -0.81 0.00 0.00 175.30 174.87 2yry s VAL 73 N 0.69 2.89 -0.28 7.11 1.01 -1.26 -2.00 120.40 128.56 2yry s VAL 73 Ca 0.17 0.88 -0.24 0.00 0.00 0.00 0.00 61.98 62.79 2yry s VAL 73 Cb -0.24 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.69 2yry s VAL 73 CO -0.01 0.20 0.91 0.00 0.00 0.00 0.00 175.10 176.20 2yry s ALA 74 N -1.00 -1.92 0.41 5.51 0.00 -0.97 -4.79 121.76 119.00 2yry s ALA 74 Ca 0.49 1.97 -0.26 0.00 0.00 0.00 0.00 51.96 54.16 2yry s ALA 74 Cb -0.38 -1.37 -0.10 0.00 0.00 0.00 0.00 23.12 21.27 2yry s ALA 74 CO 0.49 -0.28 1.37 0.00 0.00 0.00 0.00 175.76 177.33 2yry n ALA 75 N 2.55 1.73 -0.52 0.00 0.00 -1.26 -2.20 120.51 120.80 2yry n ALA 75 Ca -0.14 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 2yry n ALA 75 Cb 0.56 -2.33 0.17 0.00 0.00 0.00 0.00 19.45 17.85 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 0.01 0.00 -4.16 0.00 0.24 0.03 -4.84 118.33 109.61 2yry n VAL 76 Ca 0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.12 2yry n VAL 76 Cb 0.39 -0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 32.12 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 -4.01 2.48 0.00 7.34 -1.52 -1.26 -5.00 119.66 117.68 2yry s GLN 77 Ca 0.40 -1.38 0.15 0.00 -1.95 0.00 0.00 55.36 52.58 2yry s GLN 77 Cb -0.07 -2.27 0.77 0.00 -0.22 0.00 0.00 33.01 31.23 2yry s GLN 77 CO 0.33 0.27 1.40 -0.35 -0.25 0.00 0.00 175.29 176.69 2yry n PRO 78 N -1.07 0.25 -1.46 2.91 -0.04 -1.26 -2.54 135.00 131.80 2yry n PRO 78 Ca -0.05 0.12 0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2yry n PRO 78 Cb 0.60 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.24 1.54 -4.95 3.54 2.88 -1.26 -5.09 113.62 109.04 2yry n SER 79 Ca 0.08 -2.65 -0.24 0.00 -1.33 0.00 0.00 58.87 54.73 2yry n SER 79 Cb 0.11 -0.39 0.04 0.00 -0.75 0.00 0.00 64.21 63.22 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 -2.68 5.32 -0.59 -3.46 1.11 -1.05 -4.97 116.67 110.35 2yry s ASP 80 Ca 0.35 0.30 -0.06 0.00 0.18 0.00 0.00 52.55 53.32 2yry s ASP 80 Cb 0.38 -1.21 -0.08 0.00 1.07 0.00 0.00 42.92 43.07 2yry s ASP 80 CO -0.11 -1.16 3.08 -3.20 1.18 0.00 0.00 175.17 174.96 2yry n ASN 81 N -2.49 6.59 -3.72 0.27 5.15 -1.26 -4.77 115.26 115.04 2yry n ASN 81 Ca 0.06 -2.82 -0.29 0.00 -0.60 0.00 0.00 54.58 50.93 2yry n ASN 81 Cb 0.59 -1.37 -0.16 0.00 -0.53 0.00 0.00 39.78 38.31 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2yry s ILE 82 N -0.15 0.66 0.27 -1.44 -1.09 -1.26 -5.01 121.20 113.18 2yry s ILE 82 Ca 0.63 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.00 2yry s ILE 82 Cb 0.30 -1.37 0.31 0.00 -1.58 0.00 0.00 42.46 40.12 2yry s ILE 82 CO -0.09 -0.50 1.63 -1.28 -1.23 0.00 0.00 174.94 173.47 2yry h SER 83 N 8.18 -0.28 -3.14 3.58 0.87 -2.02 -3.41 113.55 117.33 2yry h SER 83 Ca -0.15 0.21 -0.40 0.00 -1.23 0.00 0.00 61.79 60.21 2yry h SER 83 Cb 1.05 0.35 0.21 0.00 -0.44 0.00 0.00 62.40 63.57 2yry h SER 83 CO 0.42 -0.20 -0.06 -0.13 -0.53 0.00 0.00 176.83 176.33 2yry s ARG 84 N -6.05 -2.13 0.00 2.24 0.52 -1.26 -5.03 118.95 107.24 2yry s ARG 84 Ca -0.13 0.37 -0.05 0.00 -0.52 0.00 0.00 55.73 55.40 2yry s ARG 84 Cb 0.24 -1.45 -0.02 0.00 0.52 0.00 0.00 34.95 34.25 2yry s ARG 84 CO 0.76 -4.41 -0.10 1.63 0.02 0.00 0.00 175.30 173.21 2yry n LYS 85 N -5.33 0.15 -1.55 3.54 5.02 -1.26 -4.82 118.16 113.90 2yry n LYS 85 Ca 0.09 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 56.02 2yry n LYS 85 Cb 0.58 -0.69 -0.03 0.00 -0.02 0.00 0.00 35.03 34.87 2yry n LYS 85 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2yry n HIS 86 N -3.55 2.74 -4.37 2.13 8.25 -1.26 -4.86 115.22 114.29 2yry n HIS 86 Ca -0.04 -2.24 -0.21 0.00 -0.26 0.00 0.00 57.72 54.97 2yry n HIS 86 Cb 0.14 -2.16 -0.13 0.00 1.12 0.00 0.00 29.99 28.96 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 5.00 1.29 -0.00 1.59 2.01 -1.26 -1.48 115.64 122.78 2yry s THR 87 Ca 0.55 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2yry s THR 87 Cb 0.12 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.46 2yry s THR 87 CO 0.05 -0.00 -0.02 0.72 -0.69 0.00 0.00 174.62 174.68 2yry s PHE 88 N -0.94 0.23 0.06 4.92 -0.71 -0.10 -0.79 117.98 120.65 2yry s PHE 88 Ca 0.03 -0.04 0.08 0.00 -1.04 0.00 0.00 56.93 55.96 2yry s PHE 88 Cb -0.09 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.53 2yry s PHE 88 CO 0.02 -0.01 -0.23 -1.59 -1.34 0.00 0.00 175.22 172.06 2yry s LYS 89 N 0.02 1.50 -0.19 1.99 0.00 -0.94 -0.06 119.74 122.07 2yry s LYS 89 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 55.97 54.83 2yry s LYS 89 Cb -0.02 -1.70 -0.04 0.00 0.00 0.00 0.00 37.83 36.07 2yry s LYS 89 CO -0.00 0.43 0.06 0.00 0.00 0.00 0.00 175.35 175.84 2yry s ALA 90 N -0.87 3.36 -0.09 0.59 0.00 0.22 -2.29 121.76 122.68 2yry s ALA 90 Ca 0.10 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2yry s ALA 90 Cb -0.09 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 2yry s ALA 90 CO 0.03 0.06 -0.22 -1.83 0.00 0.00 0.00 175.76 173.80 2yry s GLU 91 N 0.59 2.96 -0.02 0.00 -1.05 -0.85 -0.61 118.70 119.73 2yry s GLU 91 Ca 0.03 -0.85 0.21 0.00 -0.15 0.00 0.00 54.97 54.21 2yry s GLU 91 Cb -0.13 -2.32 -0.28 0.00 -0.44 0.00 0.00 34.13 30.96 2yry s GLU 91 CO 0.01 0.25 0.65 1.58 0.95 0.00 0.00 175.26 178.70 2yry n HIS 92 N 3.35 0.00 -3.61 4.83 -0.00 -1.19 0.72 115.22 119.31 2yry n HIS 92 Ca -0.18 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.30 2yry n HIS 92 Cb 0.53 -0.26 0.08 0.00 -0.00 0.00 0.00 29.99 30.33 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 -1.89 -1.38 0.00 1.57 0.00 -1.26 -4.71 120.51 112.83 2yry n ALA 93 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2yry n ALA 93 Cb 0.45 -5.12 0.00 0.00 0.00 0.00 0.00 19.45 14.78 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 -1.90 0.08 0.91 0.00 0.00 -1.26 -5.04 105.19 97.98 2yry n GLY 94 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.67 0.58 -3.90 1.61 0.31 -1.26 -5.16 118.33 109.84 2yry n VAL 95 Ca 0.00 0.20 -0.03 0.00 -0.01 0.00 0.00 64.34 64.50 2yry n VAL 95 Cb 0.00 -1.34 0.02 0.00 -0.91 0.00 0.00 33.84 31.61 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 -3.00 0.66 -3.93 5.55 0.00 -1.26 -5.08 116.66 109.59 2yry n ARG 96 Ca -0.01 -1.50 -0.30 0.00 -0.00 0.00 0.00 57.85 56.04 2yry n ARG 96 Cb 0.03 2.03 -0.16 0.00 -0.00 0.00 0.00 32.46 34.36 2yry n ARG 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2yry s THR 97 N -2.06 1.40 0.39 8.89 2.01 -1.26 -3.17 115.64 121.84 2yry s THR 97 Ca 0.23 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 2yry s THR 97 Cb -0.03 -1.59 -0.08 0.00 0.01 0.00 0.00 72.50 70.81 2yry s THR 97 CO 0.06 0.05 0.79 -0.31 -0.69 0.00 0.00 174.62 174.51 2yry s TYR 98 N 1.48 3.43 0.06 4.92 2.02 0.22 -4.84 117.35 124.65 2yry s TYR 98 Ca -0.02 1.16 0.09 0.00 -0.37 0.00 0.00 57.07 57.93 2yry s TYR 98 Cb -0.17 -2.52 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 2yry s TYR 98 CO -0.07 -0.07 -0.25 -0.06 -1.57 0.00 0.00 175.55 173.53 2yry s PHE 99 N -2.26 2.21 -0.15 2.71 0.40 -1.26 0.73 117.98 120.35 2yry s PHE 99 Ca 0.53 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.41 2yry s PHE 99 Cb -0.10 -1.30 0.07 0.00 0.51 0.00 0.00 43.02 42.20 2yry s PHE 99 CO 0.26 0.16 0.28 -0.06 0.70 0.00 0.00 175.22 176.56 2yry s PHE 100 N -0.86 -0.47 0.50 0.36 0.08 0.92 -4.10 117.98 114.42 2yry s PHE 100 Ca 0.11 0.95 -0.01 0.00 0.12 0.00 0.00 56.93 58.11 2yry s PHE 100 Cb -0.10 -0.03 0.01 0.00 -0.57 0.00 0.00 43.02 42.33 2yry s PHE 100 CO 0.03 -0.41 0.74 0.45 -0.10 0.00 0.00 175.22 175.93 2yry s SER 101 N 2.44 5.67 -0.02 1.36 0.15 -0.90 -0.92 113.70 121.47 2yry s SER 101 Ca 0.02 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2yry s SER 101 Cb -0.13 -1.43 0.02 0.00 -1.71 0.00 0.00 66.02 62.78 2yry s SER 101 CO -0.10 -0.86 0.02 0.00 1.20 0.00 0.00 173.24 173.50 2yry s ALA 102 N -2.68 0.11 0.16 5.45 0.00 -0.55 -3.41 121.76 120.83 2yry s ALA 102 Ca 0.51 0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 2yry s ALA 102 Cb -0.10 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 22.87 2yry s ALA 102 CO 0.39 -0.08 1.62 0.93 0.00 0.00 0.00 175.76 178.63 2yry h GLU 103 N 7.06 -0.20 -6.24 0.00 4.39 -1.88 -3.43 114.58 114.28 2yry h GLU 103 Ca -0.41 0.01 -0.59 0.00 0.34 0.00 0.00 59.36 58.71 2yry h GLU 103 Cb 1.14 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.71 2yry h GLU 103 CO 0.49 -0.13 -0.71 -1.12 -1.16 0.00 0.00 179.01 176.37 2yry s SER 104 N -5.08 4.04 0.41 1.42 0.01 -1.26 -4.97 113.70 108.26 2yry s SER 104 Ca -0.15 -0.82 0.20 0.00 1.31 0.00 0.00 55.95 56.49 2yry s SER 104 Cb 0.13 -0.56 0.85 0.00 0.21 0.00 0.00 66.02 66.66 2yry s SER 104 CO 0.69 0.03 1.82 1.55 0.41 0.00 0.00 173.24 177.74 2yry h PRO 105 N 2.19 0.00 -0.28 12.44 0.13 -1.92 -2.93 132.00 141.64 2yry h PRO 105 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2yry h PRO 105 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2yry h PRO 105 CO 0.59 0.32 -0.13 0.93 -0.23 0.00 0.00 178.00 179.48 2yry h GLU 106 N 0.00 0.48 0.10 0.86 4.39 -1.97 -2.55 114.58 115.89 2yry h GLU 106 Ca -0.00 -0.14 -0.29 0.00 0.34 0.00 0.00 59.36 59.27 2yry h GLU 106 Cb 0.73 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2yry h GLU 106 CO 0.04 0.61 -1.21 0.93 -1.16 0.00 0.00 179.01 178.22 2yry h GLU 107 N 0.44 0.64 0.08 2.33 4.39 -1.93 -2.77 114.58 117.77 2yry h GLU 107 Ca 0.08 -0.82 0.02 0.00 0.34 0.00 0.00 59.36 58.98 2yry h GLU 107 Cb 0.49 0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2yry h GLU 107 CO 0.03 1.37 -0.19 0.37 -1.16 0.00 0.00 179.01 179.43 2yry h GLN 108 N 0.30 -0.33 -0.12 2.33 4.15 -1.36 0.23 115.11 120.30 2yry h GLN 108 Ca -0.18 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.26 2yry h GLN 108 Cb 1.88 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.64 2yry h GLN 108 CO 0.23 -0.22 0.06 1.05 -1.93 0.00 0.00 178.83 178.02 2yry h GLU 109 N -0.34 0.17 -0.59 1.69 4.11 -1.57 -1.99 114.58 116.06 2yry h GLU 109 Ca 0.03 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.50 2yry h GLU 109 Cb 0.38 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2yry h GLU 109 CO -0.12 0.22 0.29 0.00 0.07 0.00 0.00 179.01 179.47 2yry h ALA 110 N 0.95 0.77 -0.55 1.06 0.00 -1.27 -1.63 119.26 118.58 2yry h ALA 110 Ca 0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2yry h ALA 110 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2yry h ALA 110 CO -0.01 -0.06 0.36 -1.49 0.00 0.00 0.00 179.25 178.05 2yry h TRP 111 N 0.55 0.67 -0.67 0.00 4.06 -0.36 -2.58 115.95 117.62 2yry h TRP 111 Ca 0.27 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.26 2yry h TRP 111 Cb 0.21 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 2yry h TRP 111 CO -0.11 0.42 0.43 0.82 -3.56 0.00 0.00 178.44 176.44 2yry h ILE 112 N 0.72 1.12 -0.78 1.49 2.04 -0.72 0.28 117.51 121.67 2yry h ILE 112 Ca 0.20 -0.29 0.15 0.00 1.00 0.00 0.00 64.86 65.93 2yry h ILE 112 Cb -0.06 0.20 -0.10 0.00 -0.74 0.00 0.00 36.82 36.11 2yry h ILE 112 CO -0.05 0.16 0.30 1.56 0.00 0.00 0.00 178.15 180.11 2yry h GLN 113 N 0.85 0.41 0.00 2.37 4.20 -0.91 0.88 115.11 122.91 2yry h GLN 113 Ca 0.26 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 2yry h GLN 113 Cb -0.04 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2yry h GLN 113 CO -0.08 0.27 -0.05 0.00 -0.67 0.00 0.00 178.83 178.30 2yry h ALA 114 N 1.58 0.01 0.37 3.87 0.00 -1.31 -3.26 119.26 120.51 2yry h ALA 114 Ca 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2yry h ALA 114 Cb 0.69 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2yry h ALA 114 CO -0.43 0.04 -0.28 0.52 0.00 0.00 0.00 179.25 179.10 2yry h MET 115 N -1.00 -0.60 -0.90 0.00 2.86 -0.31 0.23 114.93 115.21 2yry h MET 115 Ca -0.01 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.82 2yry h MET 115 Cb 0.32 0.14 -0.15 0.00 0.06 0.00 0.00 31.60 31.97 2yry h MET 115 CO -0.00 -0.40 -0.34 0.41 1.06 0.00 0.00 176.91 177.64 2yry n GLY 116 N -1.33 -1.81 0.18 8.32 0.00 0.30 0.11 105.19 110.96 2yry n GLY 116 Ca -0.08 1.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.81 2yry n GLY 116 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yry h GLU 117 N 0.00 -0.37 0.00 1.61 5.08 -1.57 0.31 114.58 119.64 2yry h GLU 117 Ca 0.32 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2yry h GLU 117 Cb 0.55 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2yry h GLU 117 CO -0.89 -0.08 0.01 0.00 -1.00 0.00 0.00 179.01 177.04 2yry n ALA 118 N -2.40 1.02 -0.11 3.43 0.00 0.78 -1.68 120.51 121.55 2yry n ALA 118 Ca -0.10 0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 2yry n ALA 118 Cb 0.24 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 2yry n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yry n ALA 119 N -1.69 1.38 -1.77 0.00 0.00 0.30 -3.26 120.51 115.47 2yry n ALA 119 Ca -0.01 -1.07 -0.38 0.00 0.00 0.00 0.00 53.44 51.98 2yry n ALA 119 Cb 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 2yry n ALA 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2yry s ARG 120 N -2.52 4.35 -0.94 0.00 1.70 0.10 -3.82 118.95 117.82 2yry s ARG 120 Ca -0.29 1.59 -0.09 0.00 -0.47 0.00 0.00 55.73 56.47 2yry s ARG 120 Cb 0.08 -2.78 0.24 0.00 -0.57 0.00 0.00 34.95 31.93 2yry s ARG 120 CO 0.66 0.01 0.89 0.08 -1.08 0.00 0.00 175.30 175.85 2yry s VAL 121 N -1.49 5.38 -2.69 4.99 1.01 -1.26 -4.88 120.40 121.47 2yry s VAL 121 Ca 0.53 -3.18 0.26 0.00 0.00 0.00 0.00 61.98 59.59 2yry s VAL 121 Cb -0.25 -4.29 0.41 0.00 0.00 0.00 0.00 36.38 32.25 2yry s VAL 121 CO 0.32 -1.09 1.56 0.00 0.00 0.00 0.00 175.10 175.88