#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ayp h LEU 2 N 0.00 0.00 -0.02 -4.53 3.38 -1.57 -2.12 115.31 110.46 1ayp h LEU 2 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ayp h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ayp h LEU 2 CO 0.00 0.12 -0.04 0.58 0.09 0.00 0.00 178.44 179.20 1ayp h VAL 3 N 0.00 1.45 -0.82 1.22 2.07 -1.98 0.72 116.25 118.90 1ayp h VAL 3 Ca -0.00 -1.39 0.12 0.00 0.82 0.00 0.00 66.70 66.25 1ayp h VAL 3 Cb 0.24 2.35 -0.13 0.00 -1.52 0.00 0.00 31.29 32.23 1ayp h VAL 3 CO 0.02 0.37 -0.43 0.78 0.02 0.00 0.00 177.57 178.32 1ayp h ASN 4 N -0.51 -1.55 -0.58 0.57 -0.26 -1.88 0.11 115.58 111.49 1ayp h ASN 4 Ca 0.00 0.28 -0.03 0.00 -0.56 0.00 0.00 56.30 56.00 1ayp h ASN 4 Cb 0.62 0.75 -0.03 0.00 -1.06 0.00 0.00 38.32 38.60 1ayp h ASN 4 CO 0.01 -0.30 0.26 0.15 -1.06 0.00 0.00 177.43 176.49 1ayp h PHE 5 N -0.09 0.85 -0.42 1.19 3.57 -1.37 0.11 116.94 120.78 1ayp h PHE 5 Ca 0.25 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1ayp h PHE 5 Cb 0.55 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1ayp h PHE 5 CO -0.82 0.67 0.02 1.25 -2.23 0.00 0.00 178.31 177.20 1ayp h HIS 6 N 0.79 0.69 0.19 0.41 2.76 0.15 -0.07 115.15 120.07 1ayp h HIS 6 Ca 0.20 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1ayp h HIS 6 Cb 0.16 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1ayp h HIS 6 CO 0.00 0.65 -0.09 -0.09 -1.30 0.00 0.00 177.93 177.10 1ayp h ARG 7 N 0.63 -0.25 -1.00 5.26 2.43 -0.73 -2.60 114.38 118.12 1ayp h ARG 7 Ca 0.13 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.51 1ayp h ARG 7 Cb 0.37 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.87 1ayp h ARG 7 CO 0.01 0.13 0.61 0.52 -1.51 0.00 0.00 179.97 179.74 1ayp h MET 8 N -0.73 0.70 -0.13 0.20 2.86 -0.22 -2.03 114.93 115.58 1ayp h MET 8 Ca -0.03 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1ayp h MET 8 Cb 0.50 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1ayp h MET 8 CO 0.04 0.46 -0.11 0.82 1.06 0.00 0.00 176.91 179.19 1ayp h ILE 9 N 0.72 1.34 -0.98 -1.22 2.04 -0.98 -2.61 117.51 115.82 1ayp h ILE 9 Ca 0.57 -1.23 0.14 0.00 1.00 0.00 0.00 64.86 65.33 1ayp h ILE 9 Cb 0.95 1.86 -0.09 0.00 -0.74 0.00 0.00 36.82 38.80 1ayp h ILE 9 CO -0.36 0.36 0.60 0.11 0.00 0.00 0.00 178.15 178.86 1ayp h LYS 10 N -0.06 0.88 -0.09 2.37 1.57 -0.98 0.10 116.57 120.36 1ayp h LYS 10 Ca 0.02 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ayp h LYS 10 Cb 0.62 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1ayp h LYS 10 CO 0.03 0.58 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.22 1ayp h LEU 11 N 0.90 0.14 0.00 2.94 3.38 -1.23 -0.00 115.31 121.44 1ayp h LEU 11 Ca 0.51 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.29 1ayp h LEU 11 Cb 0.58 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ayp h LEU 11 CO -0.30 0.35 -1.77 0.41 0.09 0.00 0.00 178.44 177.22 1ayp n THR 12 N -4.24 0.57 0.21 0.22 -1.04 -0.95 -4.62 114.28 104.42 1ayp n THR 12 Ca -0.01 -0.45 0.04 0.00 -2.04 0.00 0.00 64.05 61.58 1ayp n THR 12 Cb 0.30 -0.38 -0.05 0.00 -1.82 0.00 0.00 70.33 68.38 1ayp n THR 12 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ayp n THR 13 N -2.29 0.00 0.00 12.58 -2.24 0.32 -4.72 114.28 117.92 1ayp n THR 13 Ca -0.14 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1ayp n THR 13 Cb 0.72 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1ayp n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ayp n GLY 14 N 1.54 1.79 3.74 3.38 0.00 -0.02 -4.94 105.19 110.68 1ayp n GLY 14 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1ayp n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ayp s LYS 15 N 0.00 4.25 -1.06 1.61 1.02 -1.26 -4.83 119.74 119.47 1ayp s LYS 15 Ca 0.00 2.32 -0.19 0.00 0.02 0.00 0.00 55.97 58.11 1ayp s LYS 15 Cb 0.00 -3.12 0.10 0.00 -0.52 0.00 0.00 37.83 34.29 1ayp s LYS 15 CO 0.00 -0.46 1.39 -1.21 -0.92 0.00 0.00 175.35 174.15 1ayp s GLU 16 N -0.06 3.73 0.00 1.68 2.02 -1.26 -3.65 118.70 121.17 1ayp s GLU 16 Ca 0.62 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.93 1ayp s GLU 16 Cb -0.42 -5.21 0.00 0.00 0.10 0.00 0.00 34.13 28.60 1ayp s GLU 16 CO 0.41 -2.01 0.00 0.00 0.02 0.00 0.00 175.26 173.67 1ayp n ALA 17 N 7.59 0.00 0.21 5.21 0.00 -1.26 -3.22 120.51 129.04 1ayp n ALA 17 Ca 0.33 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1ayp n ALA 17 Cb 0.48 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.70 1ayp n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ayp h ALA 18 N 0.00 1.92 0.00 0.00 0.00 -1.92 -0.58 119.26 118.68 1ayp h ALA 18 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1ayp h ALA 18 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ayp h ALA 18 CO 0.00 -0.21 -1.64 -0.11 0.00 0.00 0.00 179.25 177.29 1ayp n LEU 19 N -4.12 2.24 0.10 0.00 7.94 -1.20 -3.06 117.00 118.90 1ayp n LEU 19 Ca 0.01 -0.05 -0.04 0.00 -1.11 0.00 0.00 56.01 54.82 1ayp n LEU 19 Cb 0.25 -0.25 0.01 0.00 0.53 0.00 0.00 43.42 43.97 1ayp n LEU 19 CO 0.31 0.58 0.30 0.77 -1.11 0.00 0.00 177.39 178.24 1ayp h SER 20 N 0.00 0.00 0.00 1.96 4.64 -1.60 -3.38 113.55 115.16 1ayp h SER 20 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1ayp h SER 20 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1ayp h SER 20 CO -0.03 0.82 -0.83 -1.22 -0.87 0.00 0.00 176.83 174.70 1ayp n TYR 21 N -3.53 0.00 0.25 4.77 4.01 -0.28 -4.56 117.16 117.82 1ayp n TYR 21 Ca -0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 1ayp n TYR 21 Cb 0.79 -0.06 0.80 0.00 -0.31 0.00 0.00 39.34 40.56 1ayp n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ayp h GLY 22 N 0.80 0.00 -0.07 2.72 0.00 -1.33 -2.92 103.07 102.27 1ayp h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ayp h GLY 22 CO 0.00 0.00 -0.04 0.69 0.00 0.00 0.00 176.54 177.19 1ayp n PHE 23 N -2.61 0.00 -1.63 5.60 3.01 -1.25 -3.88 117.46 116.70 1ayp n PHE 23 Ca -0.02 -0.10 -0.52 0.00 1.01 0.00 0.00 57.45 57.82 1ayp n PHE 23 Cb 0.17 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1ayp n PHE 23 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1ayp n TYR 24 N -0.11 1.76 0.00 1.38 4.19 -0.80 -3.73 117.16 119.86 1ayp n TYR 24 Ca 0.00 0.53 0.00 0.00 3.31 0.00 0.00 57.90 61.75 1ayp n TYR 24 Cb 0.48 -2.40 0.00 0.00 0.49 0.00 0.00 39.34 37.90 1ayp n TYR 24 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ayp n GLY 25 N 3.06 3.50 0.03 2.98 0.00 -0.13 -2.92 105.19 111.71 1ayp n GLY 25 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1ayp n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ayp n HIS 27 N -2.14 0.00 -3.56 0.00 8.25 -1.25 -2.21 115.22 114.31 1ayp n HIS 27 Ca -0.09 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.00 1ayp n HIS 27 Cb 0.56 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1ayp n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ayp n GLY 29 N 3.58 -1.49 3.74 0.00 0.00 -1.25 -3.39 105.19 106.38 1ayp n GLY 29 Ca -0.12 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 1ayp n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ayp s VAL 30 N -0.75 2.25 0.00 1.61 1.01 -1.26 -4.72 120.40 118.54 1ayp s VAL 30 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1ayp s VAL 30 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1ayp s VAL 30 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1ayp n GLY 31 N 2.65 -1.70 0.00 4.51 0.00 -1.26 -5.01 105.19 104.37 1ayp n GLY 31 Ca 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1ayp n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ayp n GLY 32 N 0.00 2.75 3.21 -0.02 0.00 -1.26 -4.60 105.19 105.27 1ayp n GLY 32 Ca 0.00 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1ayp n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ayp s ARG 33 N -0.29 1.03 0.00 1.61 1.81 -0.94 -4.98 118.95 117.18 1ayp s ARG 33 Ca 0.00 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 1ayp s ARG 33 Cb 0.00 -1.13 0.00 0.00 -0.45 0.00 0.00 34.95 33.37 1ayp s ARG 33 CO 0.00 0.27 0.00 0.41 -0.68 0.00 0.00 175.30 175.30 1ayp n GLY 34 N 1.47 0.71 3.74 -3.53 0.00 -1.26 -4.66 105.19 101.66 1ayp n GLY 34 Ca -0.19 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1ayp n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ayp s SER 35 N -2.74 7.33 -0.11 1.61 0.01 0.04 -2.25 113.70 117.58 1ayp s SER 35 Ca 0.00 2.07 -0.30 0.00 1.31 0.00 0.00 55.95 59.03 1ayp s SER 35 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1ayp s SER 35 CO 0.00 -0.16 1.29 -2.16 0.41 0.00 0.00 173.24 172.62 1ayp s PRO 36 N -0.55 4.27 0.30 12.44 0.04 -1.26 -4.69 135.00 145.56 1ayp s PRO 36 Ca 0.48 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.29 1ayp s PRO 36 Cb -0.29 -3.70 0.80 0.00 0.04 0.00 0.00 34.50 31.35 1ayp s PRO 36 CO 0.35 -0.63 1.61 0.87 0.04 0.00 0.00 177.00 179.24 1ayp h LYS 37 N 8.05 0.11 0.00 4.56 1.79 -1.94 -3.46 116.57 125.67 1ayp h LYS 37 Ca -0.31 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1ayp h LYS 37 Cb 1.13 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1ayp h LYS 37 CO 0.94 0.07 0.00 -0.40 -1.08 0.00 0.00 179.45 178.98 1ayp n ASP 38 N -5.32 0.00 0.06 0.86 5.68 -1.26 -5.02 116.55 111.55 1ayp n ASP 38 Ca 0.24 -0.02 -0.02 0.00 -0.50 0.00 0.00 54.79 54.49 1ayp n ASP 38 Cb 0.79 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.70 1ayp n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ayp h ALA 39 N 2.00 0.61 -0.28 2.12 0.00 -1.93 -0.12 119.26 121.66 1ayp h ALA 39 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 54.91 53.88 1ayp h ALA 39 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ayp h ALA 39 CO 0.00 1.01 -0.56 1.15 0.00 0.00 0.00 179.25 180.86 1ayp h THR 40 N 0.00 1.28 -0.08 0.00 2.02 -1.93 -0.81 112.91 113.39 1ayp h THR 40 Ca -0.10 -1.74 -0.07 0.00 0.77 0.00 0.00 66.41 65.27 1ayp h THR 40 Cb 1.64 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1ayp h THR 40 CO 0.08 0.57 -0.21 -0.78 0.37 0.00 0.00 175.52 175.54 1ayp h ASP 41 N 0.65 0.33 0.17 4.18 3.58 -1.90 0.14 116.42 123.57 1ayp h ASP 41 Ca 0.01 -0.59 -0.00 0.00 0.42 0.00 0.00 57.03 56.87 1ayp h ASP 41 Cb 1.16 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 1ayp h ASP 41 CO 0.12 0.86 -0.02 -0.09 -2.88 0.00 0.00 179.24 177.23 1ayp h ARG 42 N -0.18 0.00 -0.29 0.28 9.65 -1.00 0.11 114.38 122.95 1ayp h ARG 42 Ca -0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 1ayp h ARG 42 Cb 0.82 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.38 1ayp h ARG 42 CO 0.05 0.02 -0.15 0.00 2.80 0.00 0.00 179.97 182.69 1ayp h VAL 45 N 0.00 1.10 -0.48 0.00 2.07 -1.25 -2.01 116.25 115.68 1ayp h VAL 45 Ca -0.00 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1ayp h VAL 45 Cb 0.96 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1ayp h VAL 45 CO 0.03 0.10 0.28 0.74 0.02 0.00 0.00 177.57 178.74 1ayp h THR 46 N 0.29 1.03 -0.32 2.57 2.02 -1.59 -1.87 112.91 115.05 1ayp h THR 46 Ca 0.09 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 1ayp h THR 46 Cb 0.04 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1ayp h THR 46 CO -0.02 0.10 -0.30 -0.74 0.37 0.00 0.00 175.52 174.93 1ayp h HIS 47 N 0.55 0.92 -0.86 3.16 6.17 -1.32 -1.71 115.15 122.07 1ayp h HIS 47 Ca 0.20 -0.27 0.11 0.00 0.71 0.00 0.00 60.37 61.12 1ayp h HIS 47 Cb 0.03 -0.20 -0.08 0.00 2.52 0.00 0.00 27.41 29.69 1ayp h HIS 47 CO -0.07 1.04 0.49 -0.44 0.71 0.00 0.00 177.93 179.65 1ayp h ASP 48 N 0.54 0.67 -0.07 3.26 3.32 -0.96 -1.37 116.42 121.80 1ayp h ASP 48 Ca 0.05 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ayp h ASP 48 Cb 0.88 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1ayp h ASP 48 CO 0.08 0.35 0.04 0.00 -1.72 0.00 0.00 179.24 177.99 1ayp h TYR 51 N 0.01 1.15 -0.56 0.00 -1.99 -1.19 -0.02 116.97 114.37 1ayp h TYR 51 Ca 0.11 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 1ayp h TYR 51 Cb 0.17 -0.38 -0.03 0.00 2.00 0.00 0.00 36.73 38.49 1ayp h TYR 51 CO -0.24 0.65 0.34 -0.22 -0.00 0.00 0.00 178.16 178.70 1ayp h LYS 52 N 1.18 0.75 -0.38 4.88 3.64 0.59 0.07 116.57 127.29 1ayp h LYS 52 Ca 0.39 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1ayp h LYS 52 Cb 0.05 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1ayp h LYS 52 CO -0.13 0.53 0.14 0.00 -2.27 0.00 0.00 179.45 177.73 1ayp h ARG 53 N 0.75 0.58 -0.39 1.90 3.08 -0.64 0.31 114.38 119.96 1ayp h ARG 53 Ca 0.20 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 1ayp h ARG 53 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1ayp h ARG 53 CO -0.04 0.56 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.20 1ayp h LEU 54 N 0.47 0.82 -0.21 3.04 3.38 -0.76 -3.12 115.31 118.93 1ayp h LEU 54 Ca 0.13 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1ayp h LEU 54 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ayp h LEU 54 CO -0.01 1.03 0.10 -0.08 0.09 0.00 0.00 178.44 179.57 1ayp h GLU 55 N 0.61 0.21 -0.48 1.13 4.81 -0.95 -1.19 114.58 118.72 1ayp h GLU 55 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ayp h GLU 55 Cb 0.70 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1ayp h GLU 55 CO 0.05 0.14 0.00 1.63 -0.73 0.00 0.00 179.01 180.10 1ayp n LYS 56 N -5.00 0.47 -0.01 1.92 4.01 0.11 0.11 118.16 119.77 1ayp n LYS 56 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 1ayp n LYS 56 Cb 0.06 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1ayp n LYS 56 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ayp n ARG 57 N 0.27 0.00 -1.01 1.97 3.00 -1.08 -5.02 116.66 114.79 1ayp n ARG 57 Ca 0.00 -0.42 -0.00 0.00 -0.01 0.00 0.00 57.85 57.42 1ayp n ARG 57 Cb 0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 32.46 32.17 1ayp n ARG 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ayp n GLY 58 N 0.00 0.42 3.85 -0.13 0.00 0.12 -5.02 105.19 104.43 1ayp n GLY 58 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1ayp n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ayp s GLY 60 N -2.78 1.48 0.00 0.00 0.00 -1.26 -3.95 107.32 100.81 1ayp s GLY 60 Ca 0.56 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1ayp s GLY 60 CO 0.25 -0.39 0.00 -1.30 0.00 0.00 0.00 173.10 171.66 1ayp n THR 61 N -2.22 0.00 -0.47 0.90 -2.24 -1.26 -4.69 114.28 104.30 1ayp n THR 61 Ca 0.00 0.00 0.41 0.00 -2.27 0.00 0.00 64.05 62.19 1ayp n THR 61 Cb 0.55 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.44 1ayp n THR 61 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ayp h LYS 62 N 0.00 0.00 0.00 -0.78 1.57 -1.97 -0.92 116.57 114.47 1ayp h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ayp h LYS 62 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ayp h LYS 62 CO 0.00 0.00 -0.10 1.19 -0.57 0.00 0.00 179.45 179.97 1ayp n PHE 63 N -3.64 0.00 -3.55 -1.35 3.72 -1.26 -1.61 117.46 109.77 1ayp n PHE 63 Ca 0.34 -0.49 -0.39 0.00 -0.05 0.00 0.00 57.45 56.86 1ayp n PHE 63 Cb 1.76 -0.08 -0.11 0.00 -0.94 0.00 0.00 39.48 40.12 1ayp n PHE 63 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ayp s LEU 64 N -1.29 4.11 0.51 4.37 2.96 -0.35 -4.90 118.68 124.09 1ayp s LEU 64 Ca 0.11 -0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 53.77 1ayp s LEU 64 Cb 0.10 -2.16 -0.07 0.00 0.50 0.00 0.00 46.19 44.55 1ayp s LEU 64 CO 0.01 -0.10 1.10 -0.94 -1.32 0.00 0.00 176.35 175.09 1ayp s SER 65 N 1.74 6.03 0.21 3.68 1.04 -1.26 -0.10 113.70 125.05 1ayp s SER 65 Ca 0.08 2.09 -0.08 0.00 0.48 0.00 0.00 55.95 58.52 1ayp s SER 65 Cb -0.16 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 1ayp s SER 65 CO 0.11 -1.00 0.31 -0.72 0.98 0.00 0.00 173.24 172.92 1ayp s TYR 66 N -1.82 0.67 0.06 5.02 -0.85 -1.26 -4.79 117.35 114.37 1ayp s TYR 66 Ca 0.69 -0.98 0.05 0.00 -0.52 0.00 0.00 57.07 56.31 1ayp s TYR 66 Cb -0.21 -0.14 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 1ayp s TYR 66 CO 0.25 -0.81 -0.05 0.15 -1.52 0.00 0.00 175.55 173.57 1ayp s LYS 67 N -4.06 2.44 -0.01 -3.49 1.02 -1.26 -4.91 119.74 109.48 1ayp s LYS 67 Ca 0.28 -0.84 -0.13 0.00 0.02 0.00 0.00 55.97 55.29 1ayp s LYS 67 Cb 0.03 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 1ayp s LYS 67 CO 0.08 0.55 0.26 -0.59 -0.92 0.00 0.00 175.35 174.74 1ayp s PHE 68 N -1.18 -0.12 -0.14 3.18 -0.71 -1.26 -2.35 117.98 115.40 1ayp s PHE 68 Ca 0.22 0.15 -0.06 0.00 -1.04 0.00 0.00 56.93 56.20 1ayp s PHE 68 Cb -0.11 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1ayp s PHE 68 CO 0.13 -0.36 0.09 -1.12 -1.34 0.00 0.00 175.22 172.61 1ayp s SER 69 N -1.35 5.89 -0.09 1.98 0.01 0.97 -4.92 113.70 116.19 1ayp s SER 69 Ca -0.14 0.25 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 1ayp s SER 69 Cb -0.06 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1ayp s SER 69 CO 0.04 0.30 0.16 0.21 0.41 0.00 0.00 173.24 174.36 1ayp s ASN 70 N -0.38 6.40 -0.42 2.44 3.84 -1.26 -0.04 114.94 125.52 1ayp s ASN 70 Ca 0.10 0.46 0.02 0.00 0.21 0.00 0.00 52.86 53.65 1ayp s ASN 70 Cb -0.12 -2.06 0.15 0.00 -0.55 0.00 0.00 41.25 38.67 1ayp s ASN 70 CO 0.02 0.37 0.27 -0.44 -2.79 0.00 0.00 177.10 174.52 1ayp s SER 71 N -1.26 2.95 1.92 -4.21 0.01 0.39 -4.97 113.70 108.54 1ayp s SER 71 Ca 0.18 -2.63 0.00 0.00 1.31 0.00 0.00 55.95 54.81 1ayp s SER 71 Cb -0.12 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1ayp s SER 71 CO 0.08 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1ayp n GLY 72 N 3.48 2.59 0.02 3.44 0.00 -1.26 -1.08 105.19 112.38 1ayp n GLY 72 Ca 0.15 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.54 1ayp n GLY 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ayp n SER 73 N 10.62 0.59 -4.62 1.61 3.41 -1.26 -4.87 113.62 119.10 1ayp n SER 73 Ca 0.00 -0.24 -0.39 0.00 -0.26 0.00 0.00 58.87 57.98 1ayp n SER 73 Cb 0.00 0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 1ayp n SER 73 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ayp s ARG 74 N -3.06 4.06 0.13 4.33 3.52 -0.24 -4.69 118.95 122.99 1ayp s ARG 74 Ca 0.09 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.77 1ayp s ARG 74 Cb 0.16 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1ayp s ARG 74 CO 0.74 -0.21 0.24 0.42 -0.81 0.00 0.00 175.30 175.68 1ayp s ILE 75 N 1.85 5.23 -0.05 4.11 -1.09 -1.26 -0.46 121.20 129.53 1ayp s ILE 75 Ca 0.16 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1ayp s ILE 75 Cb -0.15 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1ayp s ILE 75 CO 0.09 -0.03 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.82 1ayp s THR 76 N -1.67 0.67 0.12 2.92 2.01 0.94 -4.96 115.64 115.67 1ayp s THR 76 Ca 0.34 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1ayp s THR 76 Cb -0.11 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 71.67 1ayp s THR 76 CO 0.28 0.25 1.06 0.00 -0.69 0.00 0.00 174.62 175.52 1ayp s ALA 78 N 0.15 1.31 -0.38 0.00 0.00 -0.99 -4.92 121.76 116.93 1ayp s ALA 78 Ca 0.50 0.09 -0.27 0.00 0.00 0.00 0.00 51.96 52.28 1ayp s ALA 78 Cb -0.27 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1ayp s ALA 78 CO 0.32 -2.59 1.02 0.15 0.00 0.00 0.00 175.76 174.66 1ayp s LYS 79 N -4.80 3.89 0.00 0.00 1.02 -1.26 -4.83 119.74 113.75 1ayp s LYS 79 Ca 0.65 0.73 0.00 0.00 0.02 0.00 0.00 55.97 57.36 1ayp s LYS 79 Cb -0.20 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.31 1ayp s LYS 79 CO 0.58 -1.02 0.00 1.04 -0.92 0.00 0.00 175.35 175.03 1ayp n GLN 80 N 7.02 0.11 -1.63 1.68 6.02 -1.26 -5.09 117.38 124.23 1ayp n GLN 80 Ca 0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.77 1ayp n GLN 80 Cb 0.48 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.78 1ayp n GLN 80 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1ayp s ASP 81 N -0.41 5.46 0.23 1.08 -4.77 -1.26 -4.71 116.67 112.29 1ayp s ASP 81 Ca 0.00 1.63 -0.07 0.00 -3.30 0.00 0.00 52.55 50.80 1ayp s ASP 81 Cb 0.00 -2.50 0.40 0.00 -1.09 0.00 0.00 42.92 39.73 1ayp s ASP 81 CO 0.00 -1.39 1.67 0.28 0.70 0.00 0.00 175.17 176.43 1ayp h SER 82 N -0.58 -0.15 -0.03 2.11 0.02 -2.01 0.59 113.55 113.51 1ayp h SER 82 Ca -0.44 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1ayp h SER 82 Cb 1.21 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 1ayp h SER 82 CO 0.57 -0.09 -0.05 0.00 -1.14 0.00 0.00 176.83 176.12 1ayp h ARG 84 N -0.08 1.13 0.05 0.00 9.65 -1.42 0.19 114.38 123.90 1ayp h ARG 84 Ca 0.03 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.70 1ayp h ARG 84 Cb 0.13 -0.26 0.01 0.00 -1.39 0.00 0.00 29.97 28.47 1ayp h ARG 84 CO -0.08 0.75 -0.58 0.66 2.80 0.00 0.00 179.97 183.52 1ayp h SER 85 N 1.17 0.43 0.36 -3.80 4.64 -0.90 -2.69 113.55 112.76 1ayp h SER 85 Ca 0.36 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ayp h SER 85 Cb -0.02 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1ayp h SER 85 CO -0.11 1.23 0.00 1.56 -0.87 0.00 0.00 176.83 178.63 1ayp h GLN 86 N -0.31 0.00 0.17 4.77 1.08 -0.48 -1.62 115.11 118.72 1ayp h GLN 86 Ca -0.09 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.82 1ayp h GLN 86 Cb 1.36 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.80 1ayp h GLN 86 CO 0.11 0.00 -1.34 1.25 -0.95 0.00 0.00 178.83 177.90 1ayp h LEU 87 N 0.00 0.57 0.11 1.46 6.46 -0.63 -2.58 115.31 120.71 1ayp h LEU 87 Ca 0.00 -0.62 -0.01 0.00 -0.12 0.00 0.00 57.88 57.13 1ayp h LEU 87 Cb 0.18 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1ayp h LEU 87 CO 0.00 1.49 -0.05 0.00 -0.62 0.00 0.00 178.44 179.25 1ayp h GLU 89 N -0.36 0.07 -0.89 0.00 4.39 -1.41 0.10 114.58 116.47 1ayp h GLU 89 Ca -0.02 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.84 1ayp h GLU 89 Cb 0.30 -0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 28.77 1ayp h GLU 89 CO 0.03 0.04 -0.28 0.00 -1.16 0.00 0.00 179.01 177.64 1ayp h ASP 91 N -0.02 0.24 0.02 0.00 5.19 -0.69 -2.97 116.42 118.18 1ayp h ASP 91 Ca 0.38 -0.46 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1ayp h ASP 91 Cb 0.63 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 1ayp h ASP 91 CO -0.91 0.65 -0.01 0.50 -3.12 0.00 0.00 179.24 176.34 1ayp h LYS 92 N -0.16 0.00 -0.00 3.56 3.64 -0.01 0.51 116.57 124.11 1ayp h LYS 92 Ca 0.02 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 1ayp h LYS 92 Cb 0.57 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1ayp h LYS 92 CO 0.02 0.01 -0.75 0.00 -2.27 0.00 0.00 179.45 176.46 1ayp h ALA 93 N 1.99 0.75 0.18 5.00 0.00 -0.19 -2.57 119.26 124.42 1ayp h ALA 93 Ca -0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 54.91 53.90 1ayp h ALA 93 Cb 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ayp h ALA 93 CO 0.00 0.92 -1.62 0.00 0.00 0.00 0.00 179.25 178.55 1ayp h ALA 94 N 1.23 0.13 -0.33 0.00 0.00 -0.87 -1.34 119.26 118.07 1ayp h ALA 94 Ca -0.01 -1.07 0.03 0.00 0.00 0.00 0.00 54.91 53.86 1ayp h ALA 94 Cb 1.32 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1ayp h ALA 94 CO 0.10 1.00 0.14 0.00 0.00 0.00 0.00 179.25 180.49 1ayp h ALA 95 N 0.26 0.40 -0.11 0.00 0.00 -0.06 -1.91 119.26 117.84 1ayp h ALA 95 Ca -0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ayp h ALA 95 Cb 2.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1ayp h ALA 95 CO 0.19 -0.24 0.06 1.15 0.00 0.00 0.00 179.25 180.41 1ayp h THR 96 N 0.30 1.01 -0.99 0.00 2.02 -1.58 -2.64 112.91 111.04 1ayp h THR 96 Ca 0.14 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.31 1ayp h THR 96 Cb 0.09 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1ayp h THR 96 CO -0.12 0.02 0.65 0.00 0.37 0.00 0.00 175.52 176.44 1ayp h PHE 98 N 1.29 0.00 0.49 0.00 0.04 -1.32 -2.42 116.94 115.01 1ayp h PHE 98 Ca 0.38 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.13 1ayp h PHE 98 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1ayp h PHE 98 CO -0.00 0.41 -0.24 0.00 -0.60 0.00 0.00 178.31 177.88 1ayp h ALA 99 N 1.59 -0.66 -0.92 2.45 0.00 -0.41 -2.70 119.26 118.61 1ayp h ALA 99 Ca -0.00 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.97 1ayp h ALA 99 Cb 0.87 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1ayp h ALA 99 CO 0.05 -0.61 0.47 0.00 0.00 0.00 0.00 179.25 179.16 1ayp h ARG 100 N -1.18 0.50 -0.34 0.00 3.08 -0.46 0.25 114.38 116.23 1ayp h ARG 100 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ayp h ARG 100 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ayp h ARG 100 CO 0.11 0.33 0.00 0.09 -1.07 0.00 0.00 179.97 179.43 1ayp n ASN 101 N -4.95 1.84 0.04 7.04 3.02 -0.94 -4.53 115.26 116.77 1ayp n ASN 101 Ca 0.23 -1.99 0.15 0.00 -0.03 0.00 0.00 54.58 52.93 1ayp n ASN 101 Cb 0.63 -0.23 0.63 0.00 -0.61 0.00 0.00 39.78 40.20 1ayp n ASN 101 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ayp h LYS 102 N 2.02 0.11 -1.00 3.52 3.64 -0.58 -2.77 116.57 121.50 1ayp h LYS 102 Ca 0.00 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1ayp h LYS 102 Cb 0.46 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.17 1ayp h LYS 102 CO 0.00 0.07 0.63 1.79 -2.27 0.00 0.00 179.45 179.68 1ayp h THR 103 N 0.11 0.94 -0.00 1.00 1.35 -1.81 0.50 112.91 115.00 1ayp h THR 103 Ca 0.20 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1ayp h THR 103 Cb 0.64 -0.16 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1ayp h THR 103 CO -0.02 0.19 -0.15 0.41 -0.25 0.00 0.00 175.52 175.69 1ayp n THR 104 N -4.60 0.00 -1.55 6.82 -1.04 -1.05 -4.92 114.28 107.95 1ayp n THR 104 Ca 0.18 -0.02 -0.49 0.00 -2.04 0.00 0.00 64.05 61.68 1ayp n THR 104 Cb 0.33 -0.20 -0.06 0.00 -1.82 0.00 0.00 70.33 68.59 1ayp n THR 104 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ayp n TYR 105 N -1.31 1.87 -3.55 -1.42 4.19 0.16 -4.89 117.16 112.22 1ayp n TYR 105 Ca 0.10 0.16 -0.37 0.00 3.31 0.00 0.00 57.90 61.10 1ayp n TYR 105 Cb 0.31 -2.59 -0.09 0.00 0.49 0.00 0.00 39.34 37.46 1ayp n TYR 105 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1ayp s ASN 106 N 6.44 6.23 0.44 2.98 3.84 -1.26 -4.95 114.94 128.66 1ayp s ASN 106 Ca 1.03 0.26 0.15 0.00 0.21 0.00 0.00 52.86 54.52 1ayp s ASN 106 Cb -0.75 -2.16 1.01 0.00 -0.55 0.00 0.00 41.25 38.80 1ayp s ASN 106 CO 0.49 -0.00 1.98 0.11 -2.79 0.00 0.00 177.10 176.88 1ayp h LYS 107 N 7.53 0.00 -1.22 0.43 1.57 -2.01 -1.70 116.57 121.16 1ayp h LYS 107 Ca -0.37 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 58.76 1ayp h LYS 107 Cb 1.17 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 1ayp h LYS 107 CO 0.67 0.20 0.84 0.87 -0.57 0.00 0.00 179.45 181.47 1ayp h LYS 108 N 0.00 0.13 -0.00 3.15 1.79 -2.00 -0.84 116.57 118.80 1ayp h LYS 108 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1ayp h LYS 108 Cb 0.37 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1ayp h LYS 108 CO 0.03 0.08 -0.61 0.66 -1.08 0.00 0.00 179.45 178.53 1ayp n TYR 109 N -4.37 0.00 -0.22 -1.35 4.01 -0.64 -4.44 117.16 110.15 1ayp n TYR 109 Ca 0.29 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 58.05 1ayp n TYR 109 Cb 1.22 -0.11 0.12 0.00 -0.31 0.00 0.00 39.34 40.27 1ayp n TYR 109 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1ayp h GLN 110 N 0.60 0.14 -0.71 -0.72 4.15 -1.17 0.16 115.11 117.55 1ayp h GLN 110 Ca 0.00 -0.01 -0.48 0.00 0.77 0.00 0.00 58.65 58.93 1ayp h GLN 110 Cb 0.54 -0.03 -0.31 0.00 0.21 0.00 0.00 27.48 27.89 1ayp h GLN 110 CO 0.00 0.09 -0.17 0.66 -1.93 0.00 0.00 178.83 177.48 1ayp n TYR 111 N -5.27 2.43 -1.74 3.99 4.01 -1.26 -1.91 117.16 117.41 1ayp n TYR 111 Ca 0.11 -2.27 -0.42 0.00 -0.16 0.00 0.00 57.90 55.15 1ayp n TYR 111 Cb 0.39 -0.68 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 1ayp n TYR 111 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1ayp s TYR 112 N -3.57 1.41 -0.26 -0.72 5.04 0.36 -4.88 117.35 114.74 1ayp s TYR 112 Ca 0.53 -0.21 -0.28 0.00 -2.44 0.00 0.00 57.07 54.66 1ayp s TYR 112 Cb 0.44 -4.15 -0.03 0.00 0.35 0.00 0.00 41.96 38.56 1ayp s TYR 112 CO 0.01 -5.04 1.89 -1.12 -1.34 0.00 0.00 175.55 169.95 1ayp s SER 113 N 4.65 5.89 0.00 4.32 0.01 -1.26 -4.39 113.70 122.91 1ayp s SER 113 Ca 0.87 1.59 0.16 0.00 1.31 0.00 0.00 55.95 59.88 1ayp s SER 113 Cb -0.39 -2.52 0.78 0.00 0.21 0.00 0.00 66.02 64.10 1ayp s SER 113 CO 0.38 -1.66 1.48 0.59 0.41 0.00 0.00 173.24 174.44 1ayp n ASN 114 N 10.19 0.00 -0.27 2.44 4.13 -1.26 -1.71 115.26 128.78 1ayp n ASN 114 Ca 0.24 0.16 0.07 0.00 1.68 0.00 0.00 54.58 56.72 1ayp n ASN 114 Cb 0.46 -0.33 0.18 0.00 -1.54 0.00 0.00 39.78 38.54 1ayp n ASN 114 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1ayp h LYS 115 N 0.00 0.09 -0.65 3.52 1.63 -1.95 -0.95 116.57 118.26 1ayp h LYS 115 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ayp h LYS 115 Cb 0.18 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1ayp h LYS 115 CO 0.00 0.06 0.00 0.72 -3.45 0.00 0.00 179.45 176.78 1ayp n HIS 116 N -5.37 1.13 -2.93 1.91 8.25 -0.69 -4.77 115.22 112.75 1ayp n HIS 116 Ca 0.15 -0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 56.77 1ayp n HIS 116 Cb 0.52 -0.25 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 1ayp n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ayp s ARG 118 N 3.03 1.57 0.00 0.00 6.06 -1.26 -4.68 118.95 123.67 1ayp s ARG 118 Ca 0.33 -1.62 0.00 0.00 -2.50 0.00 0.00 55.73 51.93 1ayp s ARG 118 Cb -0.14 -1.77 0.00 0.00 0.06 0.00 0.00 34.95 33.10 1ayp s ARG 118 CO 0.14 0.36 0.00 0.41 -2.50 0.00 0.00 175.30 173.71 1ayp n GLY 119 N -0.11 0.02 0.00 8.12 0.00 -1.26 -0.78 105.19 111.18 1ayp n GLY 119 Ca -0.09 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1ayp n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ayp n SER 120 N 0.00 0.00 -0.15 1.61 7.64 -1.26 -4.06 113.62 117.40 1ayp n SER 120 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1ayp n SER 120 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ayp n SER 120 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ayp n THR 121 N -0.23 -0.20 -0.07 0.44 -1.04 -0.96 -4.51 114.28 107.72 1ayp n THR 121 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1ayp n THR 121 Cb 0.00 -0.39 -0.01 0.00 -1.82 0.00 0.00 70.33 68.11 1ayp n THR 121 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1ayp n PRO 122 N -0.03 -0.06 -0.07 -2.82 -0.02 -1.26 -4.94 135.00 125.79 1ayp n PRO 122 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1ayp n PRO 122 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 1ayp n PRO 122 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1ayp n ARG 123 N -4.25 0.00 0.00 -0.52 0.63 -1.26 -5.22 116.66 106.05 1ayp n ARG 123 Ca 0.01 0.07 0.15 0.00 -0.92 0.00 0.00 57.85 57.17 1ayp n ARG 123 Cb 0.06 0.00 0.91 0.00 0.45 0.00 0.00 32.46 33.88 1ayp n ARG 123 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12