#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivm s VAL 2 N 0.00 -0.43 -0.28 3.15 1.01 -1.26 0.30 120.40 122.89 1ivm s VAL 2 Ca 0.00 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 1ivm s VAL 2 Cb 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 36.38 35.99 1ivm s VAL 2 CO 0.00 0.08 0.83 -0.31 0.00 0.00 0.00 175.10 175.71 1ivm s TYR 3 N 2.43 -0.71 0.52 5.22 2.02 0.55 -4.94 117.35 122.44 1ivm s TYR 3 Ca 0.02 1.66 0.08 0.00 -0.37 0.00 0.00 57.07 58.46 1ivm s TYR 3 Cb -0.12 0.36 0.06 0.00 -0.40 0.00 0.00 41.96 41.85 1ivm s TYR 3 CO -0.09 -0.35 0.71 -1.83 -1.57 0.00 0.00 175.55 172.42 1ivm s GLU 4 N 0.58 2.50 0.07 -0.62 -1.05 -1.26 0.23 118.70 119.14 1ivm s GLU 4 Ca -0.01 -1.42 -0.13 0.00 -0.15 0.00 0.00 54.97 53.26 1ivm s GLU 4 Cb -0.05 -2.67 -0.03 0.00 -0.44 0.00 0.00 34.13 30.94 1ivm s GLU 4 CO -0.05 -0.64 1.11 2.89 0.95 0.00 0.00 175.26 179.51 1ivm n ARG 5 N -2.12 -0.19 0.00 -4.83 1.85 -1.26 0.11 116.66 110.22 1ivm n ARG 5 Ca 0.12 1.09 0.00 0.00 -1.00 0.00 0.00 57.85 58.07 1ivm n ARG 5 Cb 0.60 -1.62 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 1ivm n ARG 5 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ivm n GLU 7 N -1.73 -0.15 -0.35 0.00 1.02 -0.74 0.79 120.64 119.49 1ivm n GLU 7 Ca 0.00 0.93 0.03 0.00 -0.02 0.00 0.00 57.16 58.10 1ivm n GLU 7 Cb 0.00 -1.38 0.10 0.00 -0.02 0.00 0.00 31.44 30.14 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ivm h PHE 8 N 0.00 -0.69 0.58 -0.32 3.57 0.11 1.25 116.94 121.43 1ivm h PHE 8 Ca 0.05 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1ivm h PHE 8 Cb 0.14 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1ivm h PHE 8 CO -0.75 -0.41 -0.37 0.00 -2.23 0.00 0.00 178.31 174.55 1ivm h ALA 9 N 1.76 -0.92 -0.07 2.41 0.00 0.42 0.28 119.26 123.14 1ivm h ALA 9 Ca 0.42 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1ivm h ALA 9 Cb 0.67 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1ivm h ALA 9 CO -0.98 -1.04 -0.31 -0.09 0.00 0.00 0.00 179.25 176.84 1ivm h ARG 10 N -0.90 -0.40 -0.29 0.00 2.43 0.26 0.13 114.38 115.61 1ivm h ARG 10 Ca -0.07 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1ivm h ARG 10 Cb 0.74 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 1ivm h ARG 10 CO 0.06 -0.27 -0.23 1.15 -1.51 0.00 0.00 179.97 179.17 1ivm h THR 11 N -0.42 0.40 0.00 0.20 2.02 0.15 1.20 112.91 116.47 1ivm h THR 11 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1ivm h THR 11 Cb 0.54 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1ivm h THR 11 CO -0.30 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.13 1ivm h LEU 12 N -0.21 -1.17 -2.40 2.58 4.07 0.21 1.63 115.31 120.02 1ivm h LEU 12 Ca 0.15 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.25 1ivm h LEU 12 Cb 0.45 0.46 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 1ivm h LEU 12 CO -0.41 -0.44 -0.02 0.50 -1.08 0.00 0.00 178.44 176.99 1ivm h LYS 13 N -0.54 0.00 0.00 1.13 3.11 0.03 1.29 116.57 121.59 1ivm h LYS 13 Ca 0.05 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.77 1ivm h LYS 13 Cb 0.63 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.84 1ivm h LYS 13 CO -0.30 0.02 -0.69 -0.09 -2.81 0.00 0.00 179.45 175.58 1ivm h ARG 14 N 0.00 0.00 0.08 1.90 2.43 0.55 -3.33 114.38 116.01 1ivm h ARG 14 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1ivm h ARG 14 Cb 0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1ivm h ARG 14 CO 0.00 0.48 -1.71 -1.71 -1.51 0.00 0.00 179.97 175.52 1ivm n ASN 15 N -3.17 2.02 0.00 -3.80 5.15 0.52 -5.01 115.26 110.97 1ivm n ASN 15 Ca -0.00 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 1ivm n ASN 15 Cb 0.76 -0.91 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 1ivm n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ivm n GLY 16 N 1.77 1.00 0.00 8.20 0.00 0.42 -5.05 105.19 111.51 1ivm n GLY 16 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1ivm n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ivm n MET 17 N 0.00 0.51 -1.53 1.61 2.81 -0.47 -4.89 117.12 115.16 1ivm n MET 17 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 1ivm n MET 17 Cb 0.00 -0.90 -0.12 0.00 -0.71 0.00 0.00 33.22 31.49 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ivm n ALA 18 N -2.20 0.64 0.00 3.04 0.00 -1.22 0.13 120.51 120.89 1ivm n ALA 18 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1ivm n ALA 18 Cb 0.40 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1ivm n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivm n GLY 19 N 6.20 1.95 2.97 0.00 0.00 -1.26 -4.67 105.19 110.39 1ivm n GLY 19 Ca 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 1ivm n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivm n TYR 20 N -0.67 -2.02 -0.20 1.61 9.36 0.35 -4.61 117.16 120.99 1ivm n TYR 20 Ca 0.00 0.18 0.13 0.00 3.32 0.00 0.00 57.90 61.53 1ivm n TYR 20 Cb 0.00 -1.39 0.24 0.00 -0.63 0.00 0.00 39.34 37.56 1ivm n TYR 20 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ivm n TYR 21 N -4.06 0.50 0.05 2.98 4.02 -1.26 -4.14 117.16 115.25 1ivm n TYR 21 Ca 0.04 0.71 0.00 0.00 -0.01 0.00 0.00 57.90 58.63 1ivm n TYR 21 Cb 0.32 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.63 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ivm n GLY 22 N -1.24 -0.23 3.49 2.72 0.00 -1.26 -5.04 105.19 103.62 1ivm n GLY 22 Ca 0.17 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.69 1ivm n GLY 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ivm n VAL 23 N -2.86 0.24 -2.62 1.61 3.14 -1.26 -4.90 118.33 111.69 1ivm n VAL 23 Ca 0.00 -0.27 -0.24 0.00 -2.96 0.00 0.00 64.34 60.87 1ivm n VAL 23 Cb 0.00 -1.77 0.03 0.00 -1.06 0.00 0.00 33.84 31.04 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1ivm s SER 24 N 7.12 5.51 0.51 6.55 0.01 -1.26 -1.94 113.70 130.19 1ivm s SER 24 Ca 1.07 0.39 0.30 0.00 1.31 0.00 0.00 55.95 59.01 1ivm s SER 24 Cb -0.78 -1.40 1.41 0.00 0.21 0.00 0.00 66.02 65.45 1ivm s SER 24 CO 0.48 -1.03 1.84 0.17 0.41 0.00 0.00 173.24 175.11 1ivm h LEU 25 N 0.02 0.11 0.17 2.44 -0.00 -1.83 0.38 115.31 116.60 1ivm h LEU 25 Ca -0.45 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1ivm h LEU 25 Cb 1.27 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1ivm h LEU 25 CO 0.58 0.03 -0.08 0.00 -0.00 0.00 0.00 178.44 178.97 1ivm h ALA 26 N 1.52 -0.23 -0.33 0.17 0.00 -1.92 1.35 119.26 119.83 1ivm h ALA 26 Ca 0.50 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1ivm h ALA 26 Cb 1.80 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1ivm h ALA 26 CO -0.07 -0.60 -0.11 0.22 0.00 0.00 0.00 179.25 178.69 1ivm h ASP 27 N -0.29 0.56 0.62 0.00 1.82 -0.78 0.16 116.42 118.50 1ivm h ASP 27 Ca -0.02 -0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.44 1ivm h ASP 27 Cb 0.23 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.09 1ivm h ASP 27 CO 0.04 0.70 -0.30 -0.50 -1.61 0.00 0.00 179.24 177.57 1ivm h TRP 28 N 0.53 -0.77 0.04 0.28 4.06 -0.14 0.65 115.95 120.59 1ivm h TRP 28 Ca 0.10 -0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.05 1ivm h TRP 28 Cb 0.51 0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.87 1ivm h TRP 28 CO 0.02 -0.45 -0.50 0.28 -3.56 0.00 0.00 178.44 174.24 1ivm h VAL 29 N -1.15 0.05 -0.67 1.49 2.07 0.19 0.92 116.25 119.14 1ivm h VAL 29 Ca -0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.55 1ivm h VAL 29 Cb 0.67 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 1ivm h VAL 29 CO 0.14 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.99 1ivm h LEU 31 N 0.43 -0.53 -1.81 0.00 5.85 0.21 0.30 115.31 119.77 1ivm h LEU 31 Ca 0.35 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 1ivm h LEU 31 Cb 0.47 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1ivm h LEU 31 CO -0.34 -0.24 -0.11 0.00 -0.34 0.00 0.00 178.44 177.41 1ivm h ALA 32 N 0.69 1.16 0.17 1.25 0.00 0.24 -1.67 119.26 121.10 1ivm h ALA 32 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ivm h ALA 32 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ivm h ALA 32 CO -0.20 0.13 -0.08 0.37 0.00 0.00 0.00 179.25 179.47 1ivm h GLN 33 N 0.00 -0.23 0.00 0.00 5.75 0.40 0.70 115.11 121.73 1ivm h GLN 33 Ca -0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1ivm h GLN 33 Cb 0.40 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 1ivm h GLN 33 CO 0.01 0.17 -0.09 1.25 -2.65 0.00 0.00 178.83 177.52 1ivm h HIS 34 N -0.70 0.00 0.00 3.99 2.76 -0.31 -3.10 115.15 117.79 1ivm h HIS 34 Ca -0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1ivm h HIS 34 Cb 0.50 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 1ivm h HIS 34 CO 0.06 0.09 -0.04 0.93 -1.30 0.00 0.00 177.93 177.67 1ivm h GLU 35 N 0.00 0.00 0.00 5.26 4.39 -1.15 -3.50 114.58 119.58 1ivm h GLU 35 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ivm h GLU 35 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1ivm h GLU 35 CO 0.01 0.03 0.00 0.45 -1.16 0.00 0.00 179.01 178.35 1ivm n SER 36 N -4.76 -0.96 -1.07 1.42 2.88 0.21 -4.93 113.62 106.40 1ivm n SER 36 Ca -0.01 0.36 0.15 0.00 -1.33 0.00 0.00 58.87 58.03 1ivm n SER 36 Cb 0.03 1.14 -0.04 0.00 -0.75 0.00 0.00 64.21 64.59 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ivm n ASN 37 N -2.58 -6.37 0.00 -3.46 4.05 0.88 -4.68 115.26 103.10 1ivm n ASN 37 Ca 0.00 0.45 0.00 0.00 0.45 0.00 0.00 54.58 55.48 1ivm n ASN 37 Cb 0.00 -3.26 0.00 0.00 1.23 0.00 0.00 39.78 37.75 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1ivm n TYR 38 N -3.44 0.00 -4.48 1.20 4.02 0.63 -4.55 117.16 110.54 1ivm n TYR 38 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.67 1ivm n TYR 38 Cb 0.49 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.67 1ivm n TYR 38 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1ivm s ASN 39 N 0.00 2.02 -0.93 7.72 -0.87 -1.26 0.21 114.94 121.82 1ivm s ASN 39 Ca 0.00 -0.48 -0.02 0.00 -1.57 0.00 0.00 52.86 50.79 1ivm s ASN 39 Cb 0.00 -0.15 0.29 0.00 -0.02 0.00 0.00 41.25 41.37 1ivm s ASN 39 CO 0.00 0.09 2.05 0.35 -2.57 0.00 0.00 177.10 177.03 1ivm n THR 40 N 1.89 4.79 0.10 1.60 -2.24 0.15 -4.49 114.28 116.08 1ivm n THR 40 Ca -0.18 -4.88 0.11 0.00 -2.27 0.00 0.00 64.05 56.84 1ivm n THR 40 Cb 0.54 -1.48 -0.01 0.00 -2.10 0.00 0.00 70.33 67.28 1ivm n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ivm n ARG 41 N 0.02 0.61 -1.50 -0.78 3.00 -1.26 -4.71 116.66 112.03 1ivm n ARG 41 Ca 0.51 0.11 -0.38 0.00 -0.00 0.00 0.00 57.85 58.10 1ivm n ARG 41 Cb 0.28 -1.82 -0.16 0.00 0.00 0.00 0.00 32.46 30.76 1ivm n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 42 N -2.18 0.43 -3.69 5.13 0.00 -1.26 -4.84 120.51 114.10 1ivm n ALA 42 Ca -0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 53.44 52.88 1ivm n ALA 42 Cb 0.55 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 17.52 1ivm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ivm s THR 43 N 7.73 0.26 -0.39 0.00 -4.23 -1.26 0.36 115.64 118.11 1ivm s THR 43 Ca 1.34 0.04 0.04 0.00 -1.18 0.00 0.00 61.69 61.94 1ivm s THR 43 Cb -1.17 -0.34 0.16 0.00 1.34 0.00 0.00 72.50 72.49 1ivm s THR 43 CO 0.50 0.17 0.44 0.20 -0.54 0.00 0.00 174.62 175.38 1ivm s ASN 44 N 1.05 0.56 0.40 3.99 -0.87 0.33 -4.94 114.94 115.46 1ivm s ASN 44 Ca -0.09 -1.53 -0.04 0.00 -1.57 0.00 0.00 52.86 49.63 1ivm s ASN 44 Cb -0.14 0.83 -0.04 0.00 -0.02 0.00 0.00 41.25 41.89 1ivm s ASN 44 CO -0.01 -0.23 0.67 -0.31 -2.57 0.00 0.00 177.10 174.65 1ivm s TYR 45 N 1.39 3.52 -0.29 2.20 1.51 -1.26 0.16 117.35 124.58 1ivm s TYR 45 Ca 0.18 0.65 0.01 0.00 -1.01 0.00 0.00 57.07 56.91 1ivm s TYR 45 Cb -0.12 -2.15 0.19 0.00 -0.11 0.00 0.00 41.96 39.78 1ivm s TYR 45 CO -0.04 -0.06 0.66 -0.80 -1.11 0.00 0.00 175.55 174.20 1ivm s ASN 46 N -3.85 -1.38 0.21 2.29 -0.87 -0.90 -4.91 114.94 105.53 1ivm s ASN 46 Ca 0.45 0.42 0.05 0.00 -1.57 0.00 0.00 52.86 52.21 1ivm s ASN 46 Cb -0.10 1.98 0.14 0.00 -0.02 0.00 0.00 41.25 43.25 1ivm s ASN 46 CO 0.38 -0.26 1.48 -0.09 -2.57 0.00 0.00 177.10 176.05 1ivm h ARG 47 N 7.94 0.16 -1.03 -0.60 2.43 -1.94 0.21 114.38 121.56 1ivm h ARG 47 Ca -0.10 -0.14 0.35 0.00 -0.81 0.00 0.00 59.98 59.28 1ivm h ARG 47 Cb 1.18 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.66 1ivm h ARG 47 CO 0.15 0.83 0.67 0.41 -1.51 0.00 0.00 179.97 180.52 1ivm n GLY 48 N 0.57 -0.61 1.86 2.80 0.00 -1.26 0.13 105.19 108.67 1ivm n GLY 48 Ca -0.02 0.54 0.03 0.00 0.00 0.00 0.00 46.02 46.56 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -4.07 1.23 -3.86 1.61 -0.08 -1.22 -5.00 116.55 105.16 1ivm n ASP 49 Ca 0.29 -2.08 -0.26 0.00 -1.51 0.00 0.00 54.79 51.23 1ivm n ASP 49 Cb 1.15 -0.36 -0.04 0.00 2.34 0.00 0.00 41.12 44.22 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ivm n GLN 50 N 0.13 -0.77 -3.69 -0.67 -0.06 0.34 -4.89 117.38 107.76 1ivm n GLN 50 Ca 0.07 -0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.84 1ivm n GLN 50 Cb 1.04 -2.15 -0.17 0.00 -4.06 0.00 0.00 30.24 24.89 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1ivm s SER 51 N -3.98 1.82 0.15 1.69 1.04 0.72 -4.54 113.70 110.60 1ivm s SER 51 Ca 0.13 -0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.37 1ivm s SER 51 Cb -0.07 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 1ivm s SER 51 CO 0.70 -0.27 -0.07 -0.89 0.98 0.00 0.00 173.24 173.69 1ivm s THR 52 N 2.06 3.40 -0.24 2.02 2.01 -1.26 -2.11 115.64 121.51 1ivm s THR 52 Ca 0.03 -1.43 -0.03 0.00 0.31 0.00 0.00 61.69 60.57 1ivm s THR 52 Cb -0.14 -2.65 0.08 0.00 0.01 0.00 0.00 72.50 69.80 1ivm s THR 52 CO -0.06 -0.01 0.08 -1.81 -0.69 0.00 0.00 174.62 172.13 1ivm s ASP 53 N -2.59 3.23 0.22 3.53 1.01 0.42 0.23 116.67 122.72 1ivm s ASP 53 Ca 0.24 -1.09 -0.14 0.00 0.71 0.00 0.00 52.55 52.27 1ivm s ASP 53 Cb -0.10 -0.55 0.01 0.00 1.01 0.00 0.00 42.92 43.28 1ivm s ASP 53 CO 0.15 -0.37 0.47 -0.72 0.21 0.00 0.00 175.17 174.92 1ivm s TYR 54 N 1.90 0.20 0.00 4.23 1.13 0.16 0.12 117.35 125.09 1ivm s TYR 54 Ca 0.04 -0.56 0.00 0.00 -1.41 0.00 0.00 57.07 55.14 1ivm s TYR 54 Cb -0.17 0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 1ivm s TYR 54 CO -0.19 -0.94 0.00 0.41 -2.51 0.00 0.00 175.55 172.32 1ivm n GLY 55 N -0.35 3.27 0.37 5.49 0.00 0.16 0.38 105.19 114.51 1ivm n GLY 55 Ca -0.05 -1.91 0.23 0.00 0.00 0.00 0.00 46.02 44.29 1ivm n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ivm h ILE 56 N 0.00 0.42 -0.59 -0.61 2.10 -1.84 1.50 117.51 118.49 1ivm h ILE 56 Ca 0.00 -0.14 -0.17 0.00 1.08 0.00 0.00 64.86 65.63 1ivm h ILE 56 Cb 0.00 -0.02 -0.10 0.00 -1.09 0.00 0.00 36.82 35.61 1ivm h ILE 56 CO 0.00 0.07 0.17 0.49 -1.08 0.00 0.00 178.15 177.80 1ivm n PHE 57 N -4.84 1.97 -3.57 2.19 3.72 -1.26 -4.01 117.46 111.66 1ivm n PHE 57 Ca 0.29 -1.20 -0.35 0.00 -0.05 0.00 0.00 57.45 56.14 1ivm n PHE 57 Cb 0.93 -0.59 0.03 0.00 -0.94 0.00 0.00 39.48 38.90 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ivm n GLN 58 N -0.38 -1.79 -3.71 -1.08 7.27 0.51 -4.93 117.38 113.28 1ivm n GLN 58 Ca 0.36 1.20 -0.31 0.00 0.07 0.00 0.00 57.00 58.32 1ivm n GLN 58 Cb 1.25 -2.02 -0.05 0.00 2.41 0.00 0.00 30.24 31.83 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ivm s ILE 59 N -1.88 5.20 -0.02 1.69 1.01 0.16 -4.69 121.20 122.66 1ivm s ILE 59 Ca 0.27 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.71 1ivm s ILE 59 Cb -0.03 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1ivm s ILE 59 CO 0.87 0.06 0.52 0.20 0.00 0.00 0.00 174.94 176.59 1ivm s ASN 60 N -2.43 6.88 0.00 3.58 0.01 -1.26 0.37 114.94 122.09 1ivm s ASN 60 Ca 0.40 1.04 0.26 0.00 -0.71 0.00 0.00 52.86 53.86 1ivm s ASN 60 Cb -0.12 -2.32 0.88 0.00 0.41 0.00 0.00 41.25 40.09 1ivm s ASN 60 CO 0.25 0.14 1.64 -0.24 -1.51 0.00 0.00 177.10 177.39 1ivm n SER 61 N 2.65 1.78 0.07 -1.22 2.88 0.62 -2.19 113.62 118.22 1ivm n SER 61 Ca -0.09 -1.61 0.12 0.00 -1.33 0.00 0.00 58.87 55.96 1ivm n SER 61 Cb 0.51 -0.02 0.16 0.00 -0.75 0.00 0.00 64.21 64.12 1ivm n SER 61 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1ivm h ARG 62 N 2.73 0.00 0.00 -1.46 2.43 -1.80 -3.42 114.38 112.86 1ivm h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ivm h ARG 62 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1ivm h ARG 62 CO 0.00 0.00 0.00 0.98 -1.51 0.00 0.00 179.97 179.44 1ivm n TYR 63 N -2.21 -0.44 -3.18 2.20 9.36 -1.24 -3.46 117.16 118.20 1ivm n TYR 63 Ca 0.03 0.08 -0.25 0.00 3.32 0.00 0.00 57.90 61.08 1ivm n TYR 63 Cb 0.45 0.10 -0.01 0.00 -0.63 0.00 0.00 39.34 39.26 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ivm s TRP 64 N -1.94 3.51 0.63 2.98 0.52 -0.93 0.68 118.94 124.39 1ivm s TRP 64 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 56.10 56.61 1ivm s TRP 64 Cb 0.00 -2.02 0.00 0.00 -1.15 0.00 0.00 33.47 30.30 1ivm s TRP 64 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 176.95 176.99 1ivm n ASN 66 N -3.50 0.50 0.00 0.00 5.15 -0.15 -3.97 115.26 113.28 1ivm n ASN 66 Ca -0.05 -1.19 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 1ivm n ASN 66 Cb 0.60 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.96 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ivm n ASP 67 N -2.41 0.29 0.00 1.20 -0.08 -1.26 -0.18 116.55 114.11 1ivm n ASP 67 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ivm n ASP 67 Cb 0.05 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ivm n GLY 68 N 2.44 0.66 0.08 0.27 0.00 -1.26 -4.89 105.19 102.48 1ivm n GLY 68 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1ivm n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ivm n LYS 69 N -1.35 1.12 -3.70 1.61 5.02 -1.26 -4.93 118.16 114.67 1ivm n LYS 69 Ca 0.00 -1.13 -0.29 0.00 -2.02 0.00 0.00 58.31 54.87 1ivm n LYS 69 Cb 0.00 -0.78 -0.13 0.00 -0.02 0.00 0.00 35.03 34.11 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ivm s THR 70 N -0.65 1.42 -1.19 -0.18 2.01 -1.26 -5.01 115.64 110.78 1ivm s THR 70 Ca 0.04 -2.65 -0.10 0.00 0.31 0.00 0.00 61.69 59.28 1ivm s THR 70 Cb 0.03 -1.99 -0.07 0.00 0.01 0.00 0.00 72.50 70.48 1ivm s THR 70 CO 0.00 -0.92 2.38 -0.81 -0.69 0.00 0.00 174.62 174.58 1ivm n PRO 71 N 3.42 2.63 0.15 4.92 -0.04 -1.26 -3.56 135.00 141.25 1ivm n PRO 71 Ca 0.10 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1ivm n PRO 71 Cb 0.35 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1ivm n PRO 71 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ivm n ARG 72 N 4.60 0.00 -0.91 0.54 1.74 -1.26 -5.13 116.66 116.24 1ivm n ARG 72 Ca 0.57 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 57.30 1ivm n ARG 72 Cb 0.23 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.75 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ivm n ALA 73 N -3.25 -4.60 -2.97 7.54 0.00 -1.23 -4.92 120.51 111.08 1ivm n ALA 73 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 53.44 52.34 1ivm n ALA 73 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 1ivm n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ivm n VAL 74 N -3.18 2.60 -1.51 0.00 3.14 -1.22 -5.04 118.33 113.12 1ivm n VAL 74 Ca 0.01 -5.43 -0.34 0.00 -2.96 0.00 0.00 64.34 55.61 1ivm n VAL 74 Cb 0.59 -1.23 -0.15 0.00 -1.06 0.00 0.00 33.84 31.99 1ivm n VAL 74 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1ivm n ASN 75 N -0.17 0.11 0.00 6.55 6.94 -0.86 -4.46 115.26 123.37 1ivm n ASN 75 Ca 0.30 -0.17 0.14 0.00 -0.02 0.00 0.00 54.58 54.83 1ivm n ASN 75 Cb 0.43 -0.92 0.61 0.00 -2.36 0.00 0.00 39.78 37.53 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm n ALA 76 N 10.16 2.30 -0.03 -2.53 0.00 0.21 -2.83 120.51 127.80 1ivm n ALA 76 Ca 0.63 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 1ivm n ALA 76 Cb 0.13 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 1ivm n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ivm n GLY 78 N 1.60 -0.37 3.24 0.00 0.00 -1.13 -4.86 105.19 103.67 1ivm n GLY 78 Ca -0.20 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1ivm n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ivm s ILE 79 N -3.32 0.23 -0.10 -0.61 -0.00 -1.26 -5.00 121.20 111.15 1ivm s ILE 79 Ca 0.26 -1.99 -0.30 0.00 -0.00 0.00 0.00 60.65 58.62 1ivm s ILE 79 Cb -0.11 -2.49 -0.03 0.00 -0.00 0.00 0.00 42.46 39.83 1ivm s ILE 79 CO 0.68 -0.07 1.37 0.20 -0.00 0.00 0.00 174.94 177.12 1ivm s ASN 80 N -3.20 6.87 0.54 4.36 -0.87 -1.26 -0.98 114.94 120.40 1ivm s ASN 80 Ca 0.36 1.91 0.32 0.00 -1.57 0.00 0.00 52.86 53.88 1ivm s ASN 80 Cb 0.07 -2.54 1.48 0.00 -0.02 0.00 0.00 41.25 40.24 1ivm s ASN 80 CO 0.11 -0.77 1.89 0.00 -2.57 0.00 0.00 177.10 175.76 1ivm h SER 82 N 0.00 0.00 0.30 0.00 4.64 -1.89 0.28 113.55 116.88 1ivm h SER 82 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1ivm h SER 82 Cb 1.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1ivm h SER 82 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ivm n ALA 83 N -2.24 1.39 0.15 5.18 0.00 0.51 0.01 120.51 125.51 1ivm n ALA 83 Ca -0.03 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1ivm n ALA 83 Cb 0.09 -1.15 0.22 0.00 0.00 0.00 0.00 19.45 18.61 1ivm n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ivm n LEU 84 N -1.53 3.42 -0.32 0.00 4.77 0.97 -4.15 117.00 120.16 1ivm n LEU 84 Ca 0.02 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 1ivm n LEU 84 Cb 0.10 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1ivm n LEU 84 CO 0.08 0.77 0.23 -0.11 -1.33 0.00 0.00 177.39 177.03 1ivm n LEU 85 N 1.38 0.00 0.00 2.23 7.94 0.93 -4.11 117.00 125.37 1ivm n LEU 85 Ca 0.19 -0.69 -0.06 0.00 -1.11 0.00 0.00 56.01 54.34 1ivm n LEU 85 Cb 0.57 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.56 1ivm n LEU 85 CO 0.15 0.33 0.16 0.00 -1.11 0.00 0.00 177.39 176.91 1ivm n GLN 86 N 0.00 0.30 0.00 1.96 1.13 0.10 -5.04 117.38 115.83 1ivm n GLN 86 Ca 0.00 -0.66 0.00 0.00 -1.94 0.00 0.00 57.00 54.40 1ivm n GLN 86 Cb 0.60 -0.20 0.00 0.00 0.11 0.00 0.00 30.24 30.75 1ivm n GLN 86 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1ivm n ASP 87 N -3.02 0.00 -4.71 1.08 -0.08 -1.26 -4.22 116.55 104.34 1ivm n ASP 87 Ca 0.04 0.48 -0.41 0.00 -1.51 0.00 0.00 54.79 53.39 1ivm n ASP 87 Cb 0.15 -0.46 0.01 0.00 2.34 0.00 0.00 41.12 43.16 1ivm n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ivm n ASP 88 N -1.87 2.64 -0.74 1.67 8.00 -1.26 -2.38 116.55 122.60 1ivm n ASP 88 Ca 0.00 1.12 0.13 0.00 0.71 0.00 0.00 54.79 56.75 1ivm n ASP 88 Cb 0.00 -1.51 0.28 0.00 -0.02 0.00 0.00 41.12 39.88 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ivm n ILE 89 N -0.14 0.00 -0.40 0.53 -5.35 -1.26 -4.33 119.36 108.40 1ivm n ILE 89 Ca 0.06 -0.39 0.33 0.00 -0.27 0.00 0.00 62.75 62.49 1ivm n ILE 89 Cb 0.39 1.06 0.60 0.00 -1.74 0.00 0.00 39.64 39.96 1ivm n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ivm h THR 90 N 3.65 0.17 -0.09 7.28 1.03 -1.92 1.40 112.91 124.42 1ivm h THR 90 Ca 0.00 -0.05 -0.15 0.00 -0.01 0.00 0.00 66.41 66.20 1ivm h THR 90 Cb 0.78 0.02 0.01 0.00 -1.07 0.00 0.00 68.15 67.88 1ivm h THR 90 CO 0.00 0.02 -0.53 0.00 -0.01 0.00 0.00 175.52 175.01 1ivm h ALA 91 N 1.69 0.19 -0.94 0.00 0.00 -1.81 0.15 119.26 118.54 1ivm h ALA 91 Ca 0.79 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1ivm h ALA 91 Cb 2.31 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.02 1ivm h ALA 91 CO -0.48 0.39 0.59 0.00 0.00 0.00 0.00 179.25 179.75 1ivm h ALA 92 N 0.46 1.32 0.14 0.00 0.00 0.15 1.51 119.26 122.84 1ivm h ALA 92 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ivm h ALA 92 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ivm h ALA 92 CO 0.11 0.32 -0.07 0.82 0.00 0.00 0.00 179.25 180.43 1ivm h ILE 93 N 1.04 0.93 -0.72 0.00 2.04 -0.43 0.47 117.51 120.85 1ivm h ILE 93 Ca 0.42 -1.20 0.09 0.00 1.00 0.00 0.00 64.86 65.18 1ivm h ILE 93 Cb 0.24 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 1ivm h ILE 93 CO -0.20 0.24 0.36 -0.61 0.00 0.00 0.00 178.15 177.95 1ivm h GLN 94 N -0.84 0.59 -0.21 2.37 4.15 -0.33 0.27 115.11 121.11 1ivm h GLN 94 Ca -0.02 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1ivm h GLN 94 Cb 0.54 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1ivm h GLN 94 CO 0.03 0.39 -0.31 0.00 -1.93 0.00 0.00 178.83 177.01 1ivm h ALA 96 N 0.62 0.93 -0.10 0.00 0.00 0.12 1.65 119.26 122.48 1ivm h ALA 96 Ca 0.02 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1ivm h ALA 96 Cb 0.89 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ivm h ALA 96 CO 0.07 -0.24 -0.42 1.57 0.00 0.00 0.00 179.25 180.23 1ivm h LYS 97 N 0.38 0.46 0.00 0.00 2.10 -0.41 0.12 116.57 119.21 1ivm h LYS 97 Ca 0.38 -0.36 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1ivm h LYS 97 Cb 0.57 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1ivm h LYS 97 CO -0.40 0.99 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.92 1ivm h ARG 98 N 0.03 0.00 0.00 0.07 9.65 0.90 0.47 114.38 125.50 1ivm h ARG 98 Ca -0.02 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1ivm h ARG 98 Cb 1.06 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.63 1ivm h ARG 98 CO 0.09 0.03 -0.23 0.28 2.80 0.00 0.00 179.97 182.94 1ivm h VAL 99 N 0.00 0.54 -0.58 0.20 2.07 0.25 -3.32 116.25 115.41 1ivm h VAL 99 Ca -0.00 -1.46 0.16 0.00 0.82 0.00 0.00 66.70 66.22 1ivm h VAL 99 Cb 0.06 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1ivm h VAL 99 CO 0.00 0.18 0.41 0.58 0.02 0.00 0.00 177.57 178.77 1ivm h VAL 100 N -1.00 0.73 -0.35 2.57 2.07 -0.54 0.14 116.25 119.87 1ivm h VAL 100 Ca -0.04 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1ivm h VAL 100 Cb 0.48 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1ivm h VAL 100 CO -0.02 0.01 0.70 -0.09 0.02 0.00 0.00 177.57 178.19 1ivm h ARG 101 N 0.05 0.00 -6.88 1.57 2.43 -0.17 -3.35 114.38 108.03 1ivm h ARG 101 Ca 0.27 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 59.06 1ivm h ARG 101 Cb 1.02 0.00 0.21 0.00 -0.42 0.00 0.00 29.97 30.78 1ivm h ARG 101 CO -0.02 0.00 -0.24 -0.40 -1.51 0.00 0.00 179.97 177.80 1ivm n ASP 102 N -3.12 -3.01 0.06 -3.80 5.75 0.47 -4.92 116.55 107.98 1ivm n ASP 102 Ca 0.07 -0.49 -0.11 0.00 -0.01 0.00 0.00 54.79 54.25 1ivm n ASP 102 Cb 0.84 -1.06 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 1ivm n ASP 102 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1ivm h PRO 103 N -3.05 0.36 0.54 0.11 0.13 -1.88 -3.32 132.00 124.90 1ivm h PRO 103 Ca -0.49 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.27 1ivm h PRO 103 Cb 1.28 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1ivm h PRO 103 CO 0.35 1.02 -0.39 1.96 -0.23 0.00 0.00 178.00 180.70 1ivm h GLN 104 N 0.22 -0.86 0.00 0.86 1.08 -1.91 -3.49 115.11 111.01 1ivm h GLN 104 Ca -0.05 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ivm h GLN 104 Cb 1.45 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 29.08 1ivm h GLN 104 CO 0.14 -0.57 0.00 0.41 -0.95 0.00 0.00 178.83 177.86 1ivm n GLY 105 N -1.47 -3.16 0.69 3.46 0.00 -1.25 -4.18 105.19 99.29 1ivm n GLY 105 Ca -0.11 -1.83 0.51 0.00 0.00 0.00 0.00 46.02 44.59 1ivm n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 106 N 0.00 0.03 -1.10 -0.61 1.08 -1.94 0.46 117.51 115.43 1ivm h ILE 106 Ca 0.00 0.00 0.42 0.00 -0.39 0.00 0.00 64.86 64.89 1ivm h ILE 106 Cb 0.00 0.03 -0.16 0.00 -3.07 0.00 0.00 36.82 33.62 1ivm h ILE 106 CO 0.00 0.00 0.65 -1.14 -0.69 0.00 0.00 178.15 176.97 1ivm n ARG 107 N -3.89 -0.05 -0.42 2.37 0.63 -1.26 0.18 116.66 114.22 1ivm n ARG 107 Ca 0.42 1.26 0.36 0.00 -0.92 0.00 0.00 57.85 58.97 1ivm n ARG 107 Cb 1.94 -2.35 0.64 0.00 0.45 0.00 0.00 32.46 33.14 1ivm n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm h ALA 108 N 1.74 2.60 -1.43 5.13 0.00 -0.33 0.19 119.26 127.16 1ivm h ALA 108 Ca 0.82 0.16 -0.79 0.00 0.00 0.00 0.00 54.91 55.10 1ivm h ALA 108 Cb 2.37 0.25 -0.23 0.00 0.00 0.00 0.00 17.79 20.17 1ivm h ALA 108 CO -0.61 -1.29 1.28 0.91 0.00 0.00 0.00 179.25 179.53 1ivm n TRP 109 N -4.86 2.51 0.13 0.00 8.01 0.48 -4.76 117.44 118.95 1ivm n TRP 109 Ca 0.38 -2.64 0.18 0.00 -1.31 0.00 0.00 57.50 54.12 1ivm n TRP 109 Cb 1.43 -1.45 0.62 0.00 -2.01 0.00 0.00 31.31 29.89 1ivm n TRP 109 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1ivm h VAL 110 N 3.16 0.15 -0.94 -0.99 3.04 -0.81 0.37 116.25 120.23 1ivm h VAL 110 Ca 0.36 0.00 0.20 0.00 -1.01 0.00 0.00 66.70 66.26 1ivm h VAL 110 Cb 0.52 0.45 -0.11 0.00 -2.01 0.00 0.00 31.29 30.14 1ivm h VAL 110 CO 1.39 0.00 0.51 0.00 -1.01 0.00 0.00 177.57 178.46 1ivm h ALA 111 N 1.08 1.56 -0.06 3.17 0.00 -1.85 1.59 119.26 124.74 1ivm h ALA 111 Ca 0.17 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ivm h ALA 111 Cb 1.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1ivm h ALA 111 CO -0.00 -0.20 -0.24 2.35 0.00 0.00 0.00 179.25 181.16 1ivm h TRP 112 N 0.59 0.11 0.00 0.00 7.01 -0.61 -0.04 115.95 123.01 1ivm h TRP 112 Ca 0.57 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.55 1ivm h TRP 112 Cb 0.98 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.01 1ivm h TRP 112 CO -0.06 0.34 0.00 -0.09 -2.79 0.00 0.00 178.44 175.84 1ivm h ARG 113 N 0.10 0.00 -0.09 2.65 2.43 0.22 0.92 114.38 120.61 1ivm h ARG 113 Ca 0.02 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1ivm h ARG 113 Cb 0.48 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.89 1ivm h ARG 113 CO 0.03 0.00 -0.67 0.00 -1.51 0.00 0.00 179.97 177.82 1ivm n ALA 114 N -1.81 3.48 0.00 2.80 0.00 -0.09 -4.32 120.51 120.57 1ivm n ALA 114 Ca 0.01 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.32 1ivm n ALA 114 Cb 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1ivm n ALA 114 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ivm n HIS 115 N -0.70 -0.64 -0.09 0.00 -0.00 -0.71 -4.80 115.22 108.28 1ivm n HIS 115 Ca 0.18 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.23 1ivm n HIS 115 Cb 0.82 0.24 -0.07 0.00 -0.12 0.00 0.00 29.99 30.87 1ivm n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ivm n GLN 117 N -4.54 0.03 0.14 0.00 -0.06 -0.94 -2.90 117.38 109.12 1ivm n GLN 117 Ca -0.19 0.32 -0.06 0.00 -2.00 0.00 0.00 57.00 55.07 1ivm n GLN 117 Cb 0.46 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 25.12 1ivm n GLN 117 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 1ivm h ASN 118 N 0.00 -0.32 -2.95 1.69 -1.24 -1.76 -3.49 115.58 107.51 1ivm h ASN 118 Ca 0.00 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 56.93 1ivm h ASN 118 Cb 0.13 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1ivm h ASN 118 CO 0.00 -0.10 -0.07 -1.14 -1.29 0.00 0.00 177.43 174.83 1ivm n ARG 119 N -3.76 1.07 -2.77 6.67 0.63 -1.14 -5.05 116.66 112.31 1ivm n ARG 119 Ca -0.05 -0.55 -0.42 0.00 -0.92 0.00 0.00 57.85 55.91 1ivm n ARG 119 Cb 0.15 0.27 -0.04 0.00 0.45 0.00 0.00 32.46 33.29 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ivm s ASP 120 N -1.40 6.23 -0.06 6.15 2.15 -1.26 -4.74 116.67 123.74 1ivm s ASP 120 Ca 0.03 -0.63 0.11 0.00 0.43 0.00 0.00 52.55 52.49 1ivm s ASP 120 Cb 0.00 -2.46 0.43 0.00 -0.30 0.00 0.00 42.92 40.59 1ivm s ASP 120 CO 0.02 -1.46 1.29 -0.11 -0.17 0.00 0.00 175.17 174.73 1ivm n LEU 121 N 8.02 2.93 0.15 -1.34 0.00 -1.26 -3.95 117.00 121.56 1ivm n LEU 121 Ca -0.00 -1.48 0.01 0.00 0.00 0.00 0.00 56.01 54.54 1ivm n LEU 121 Cb 0.47 -0.42 0.22 0.00 0.00 0.00 0.00 43.42 43.69 1ivm n LEU 121 CO 0.66 0.54 0.55 0.28 0.00 0.00 0.00 177.39 179.42 1ivm h SER 122 N 2.48 0.00 0.63 1.96 0.02 -1.94 -2.44 113.55 114.25 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ivm h SER 122 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1ivm h SER 122 CO 0.12 0.54 0.00 1.67 -1.14 0.00 0.00 176.83 178.02 1ivm n GLN 123 N -3.74 0.11 0.08 3.45 7.27 -1.25 -0.96 117.38 122.34 1ivm n GLN 123 Ca -0.01 0.35 -0.10 0.00 0.07 0.00 0.00 57.00 57.31 1ivm n GLN 123 Cb 0.58 -1.71 -0.03 0.00 2.41 0.00 0.00 30.24 31.49 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1ivm h TYR 124 N 0.00 0.38 0.09 3.69 3.20 -1.72 -3.32 116.97 119.29 1ivm h TYR 124 Ca 0.00 -0.21 -0.37 0.00 3.14 0.00 0.00 58.73 61.29 1ivm h TYR 124 Cb 0.31 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1ivm h TYR 124 CO 0.00 1.04 -2.11 0.44 -1.64 0.00 0.00 178.16 175.89 1ivm n ILE 125 N -3.66 1.71 -2.03 1.81 -5.35 -0.94 -4.69 119.36 106.21 1ivm n ILE 125 Ca -0.05 -0.64 -0.39 0.00 -0.27 0.00 0.00 62.75 61.40 1ivm n ILE 125 Cb 0.83 -1.64 -0.03 0.00 -1.74 0.00 0.00 39.64 37.06 1ivm n ILE 125 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ivm s ARG 126 N -2.55 2.70 0.00 6.28 3.00 -0.14 -2.83 118.95 125.41 1ivm s ARG 126 Ca -0.25 0.71 0.00 0.00 -1.00 0.00 0.00 55.73 55.19 1ivm s ARG 126 Cb 0.07 -4.37 0.00 0.00 0.00 0.00 0.00 34.95 30.65 1ivm s ARG 126 CO 0.73 -2.65 0.00 0.09 0.00 0.00 0.00 175.30 173.48 1ivm n ASN 127 N 12.54 0.00 0.20 -2.12 4.13 -1.26 -4.77 115.26 123.97 1ivm n ASN 127 Ca 0.21 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.54 1ivm n ASN 127 Cb 0.52 0.00 0.36 0.00 -1.54 0.00 0.00 39.78 39.12 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ivm n GLY 129 N 0.30 1.93 0.46 0.00 0.00 -1.26 -5.14 105.19 101.48 1ivm n GLY 129 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1ivm n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87