#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mvp h ILE 25 N 0.00 1.76 -0.86 2.46 1.08 -2.06 -3.31 117.51 116.58 3mvp h ILE 25 Ca 0.00 -2.37 0.16 0.00 -0.39 0.00 0.00 64.86 62.26 3mvp h ILE 25 Cb 0.00 3.37 -0.10 0.00 -3.07 0.00 0.00 36.82 37.02 3mvp h ILE 25 CO 0.00 0.62 0.43 -0.33 -0.69 0.00 0.00 178.15 178.18 3mvp h GLU 26 N -0.92 0.56 -0.39 2.37 4.39 -2.06 -1.83 114.58 116.71 3mvp h GLU 26 Ca -0.02 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 3mvp h GLU 26 Cb 1.08 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 3mvp h GLU 26 CO 0.02 0.37 -0.04 1.57 -1.16 0.00 0.00 179.01 179.77 3mvp h LYS 27 N 0.58 0.71 -0.63 2.33 5.09 -2.00 -0.25 116.57 122.41 3mvp h LYS 27 Ca 0.48 -0.25 0.09 0.00 0.09 0.00 0.00 60.65 61.06 3mvp h LYS 27 Cb 0.73 -0.05 -0.07 0.00 0.10 0.00 0.00 32.23 32.94 3mvp h LYS 27 CO -0.39 0.83 0.27 -0.09 -2.09 0.00 0.00 179.45 177.98 3mvp h ARG 28 N 0.53 0.46 -0.75 0.07 2.43 -1.46 0.04 114.38 115.71 3mvp h ARG 28 Ca 0.10 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3mvp h ARG 28 Cb 0.54 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3mvp h ARG 28 CO 0.03 0.31 0.25 -0.91 -1.51 0.00 0.00 179.97 178.13 3mvp h ASN 29 N 0.48 1.07 -0.50 -3.80 2.35 -0.94 -1.85 115.58 112.39 3mvp h ASN 29 Ca 0.31 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3mvp h ASN 29 Cb 0.35 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3mvp h ASN 29 CO -0.28 0.98 0.17 0.50 -1.65 0.00 0.00 177.43 177.16 3mvp h LYS 30 N 1.11 0.76 -0.51 0.81 1.63 -0.33 -0.65 116.57 119.38 3mvp h LYS 30 Ca 0.24 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3mvp h LYS 30 Cb 0.28 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 3mvp h LYS 30 CO -0.01 0.70 0.30 0.82 -3.45 0.00 0.00 179.45 177.81 3mvp h ILE 31 N 0.67 1.16 -0.55 2.00 2.04 -0.82 0.10 117.51 122.13 3mvp h ILE 31 Ca 0.16 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3mvp h ILE 31 Cb 0.24 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3mvp h ILE 31 CO -0.01 0.17 0.09 -0.07 0.00 0.00 0.00 178.15 178.34 3mvp h LEU 32 N 0.69 0.86 -0.12 1.44 3.38 -1.17 0.27 115.31 120.67 3mvp h LEU 32 Ca 0.18 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3mvp h LEU 32 Cb 0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3mvp h LEU 32 CO -0.03 0.90 -0.28 1.56 0.09 0.00 0.00 178.44 180.67 3mvp h GLN 33 N 0.79 -0.35 -0.34 1.13 4.20 -0.88 0.18 115.11 119.84 3mvp h GLN 33 Ca 0.17 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3mvp h GLN 33 Cb 0.40 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3mvp h GLN 33 CO 0.01 -0.23 0.17 0.28 -0.67 0.00 0.00 178.83 178.39 3mvp h VAL 34 N -0.36 1.15 -0.54 -0.54 2.07 -0.41 -1.93 116.25 115.69 3mvp h VAL 34 Ca 0.10 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 3mvp h VAL 34 Cb 0.51 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3mvp h VAL 34 CO -0.32 0.16 0.07 0.00 0.02 0.00 0.00 177.57 177.49 3mvp h ALA 35 N 1.03 0.72 0.09 1.67 0.00 -0.37 0.32 119.26 122.72 3mvp h ALA 35 Ca 0.12 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3mvp h ALA 35 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3mvp h ALA 35 CO -0.02 0.48 -0.15 -0.22 0.00 0.00 0.00 179.25 179.34 3mvp h LYS 36 N 0.79 -0.29 -0.70 0.00 3.64 -0.88 0.21 116.57 119.35 3mvp h LYS 36 Ca 0.16 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3mvp h LYS 36 Cb 0.44 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 3mvp h LYS 36 CO 0.01 -0.19 0.44 -0.44 -2.27 0.00 0.00 179.45 177.01 3mvp h ASP 37 N -0.30 0.73 -0.17 4.20 3.45 -1.06 -2.14 116.42 121.13 3mvp h ASP 37 Ca 0.02 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 3mvp h ASP 37 Cb 0.31 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3mvp h ASP 37 CO -0.08 0.50 0.10 -0.07 -1.57 0.00 0.00 179.24 178.12 3mvp h LEU 38 N 0.87 0.22 -0.97 1.55 3.38 -0.67 -1.37 115.31 118.32 3mvp h LEU 38 Ca 0.28 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.26 3mvp h LEU 38 Cb 0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3mvp h LEU 38 CO -0.11 0.24 0.61 -0.26 0.09 0.00 0.00 178.44 179.01 3mvp h PHE 39 N 0.18 1.12 -0.13 1.13 0.04 -0.27 -0.51 116.94 118.50 3mvp h PHE 39 Ca 0.06 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3mvp h PHE 39 Cb 0.07 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 37.85 3mvp h PHE 39 CO -0.04 0.53 -0.10 0.77 -0.60 0.00 0.00 178.31 178.87 3mvp h SER 40 N 1.06 0.31 -0.23 2.17 0.02 -1.28 -2.72 113.55 112.87 3mvp h SER 40 Ca 0.44 -0.46 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 3mvp h SER 40 Cb 0.29 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3mvp h SER 40 CO -0.21 0.70 -0.12 0.44 -1.14 0.00 0.00 176.83 176.50 3mvp h ASP 41 N -0.08 0.62 0.00 3.07 5.19 -0.84 -3.39 116.42 120.99 3mvp h ASP 41 Ca 0.02 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3mvp h ASP 41 Cb 0.60 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.94 3mvp h ASP 41 CO 0.03 0.77 -0.90 0.29 -3.12 0.00 0.00 179.24 176.31 3mvp n LYS 42 N -4.18 1.99 -0.34 3.56 5.02 -0.24 -5.10 118.16 118.89 3mvp n LYS 42 Ca 0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3mvp n LYS 42 Cb 0.35 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3mvp n LYS 42 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3mvp n THR 43 N -1.49 -1.28 -0.31 -0.18 -1.04 -1.03 -4.72 114.28 104.23 3mvp n THR 43 Ca -0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 3mvp n THR 43 Cb 0.13 -1.31 0.24 0.00 -1.82 0.00 0.00 70.33 67.56 3mvp n THR 43 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 3mvp h TYR 44 N 0.00 -0.02 0.00 -1.42 3.20 -1.86 -1.08 116.97 115.78 3mvp h TYR 44 Ca 0.00 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3mvp h TYR 44 Cb 0.00 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3mvp h TYR 44 CO 0.00 -0.34 -0.14 0.74 -1.64 0.00 0.00 178.16 176.77 3mvp h PHE 45 N 0.06 0.00 0.00 -3.82 0.04 -1.93 -2.29 116.94 109.00 3mvp h PHE 45 Ca 0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.30 3mvp h PHE 45 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 3mvp h PHE 45 CO -0.46 0.14 -0.58 0.09 -0.60 0.00 0.00 178.31 176.90 3mvp n ASN 46 N -3.59 0.56 -4.77 2.17 3.02 -0.42 -4.88 115.26 107.35 3mvp n ASN 46 Ca -0.01 -0.19 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 3mvp n ASN 46 Cb 0.28 0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.69 3mvp n ASN 46 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mvp s VAL 47 N -3.05 4.85 0.29 2.41 1.01 -0.86 -5.05 120.40 119.99 3mvp s VAL 47 Ca 0.09 1.27 0.08 0.00 0.00 0.00 0.00 61.98 63.43 3mvp s VAL 47 Cb 0.16 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3mvp s VAL 47 CO 0.72 0.45 0.14 0.42 0.00 0.00 0.00 175.10 176.82 3mvp s THR 48 N -0.40 3.69 0.25 3.92 -4.23 -1.26 -5.01 115.64 112.60 3mvp s THR 48 Ca 0.31 -1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 3mvp s THR 48 Cb -0.19 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.80 3mvp s THR 48 CO 0.18 -0.29 1.89 0.71 -0.54 0.00 0.00 174.62 176.57 3mvp h THR 49 N 1.59 1.15 -0.63 3.99 1.35 -1.98 -2.07 112.91 116.31 3mvp h THR 49 Ca -0.46 -0.41 0.10 0.00 -0.55 0.00 0.00 66.41 65.09 3mvp h THR 49 Cb 1.25 -0.16 -0.07 0.00 -1.73 0.00 0.00 68.15 67.43 3mvp h THR 49 CO 0.61 0.22 0.24 0.78 -0.25 0.00 0.00 175.52 177.11 3mvp h ASN 50 N 1.21 0.23 -0.75 5.36 -0.26 -1.97 -0.42 115.58 118.98 3mvp h ASN 50 Ca 0.39 0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 56.18 3mvp h ASN 50 Cb 0.03 0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 3mvp h ASN 50 CO -0.13 0.13 0.33 -0.08 -1.06 0.00 0.00 177.43 176.62 3mvp h GLU 51 N 0.42 1.10 -0.24 0.81 4.81 -1.85 -0.55 114.58 119.06 3mvp h GLU 51 Ca 0.32 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3mvp h GLU 51 Cb 0.40 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3mvp h GLU 51 CO -0.32 0.88 0.02 0.82 -0.73 0.00 0.00 179.01 179.68 3mvp h ILE 52 N 1.06 1.24 -0.28 2.32 2.04 -0.70 -1.76 117.51 121.44 3mvp h ILE 52 Ca 0.25 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.31 3mvp h ILE 52 Cb 0.17 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3mvp h ILE 52 CO -0.03 0.27 0.02 0.00 0.00 0.00 0.00 178.15 178.41 3mvp h ALA 53 N 0.83 0.26 -0.92 1.87 0.00 -0.91 -0.36 119.26 120.03 3mvp h ALA 53 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mvp h ALA 53 Cb 0.38 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3mvp h ALA 53 CO 0.01 -0.40 0.53 1.57 0.00 0.00 0.00 179.25 180.96 3mvp h LYS 54 N 0.11 1.26 0.00 0.00 -0.00 -1.01 -1.12 116.57 115.82 3mvp h LYS 54 Ca 0.13 -0.13 -0.13 0.00 -0.00 0.00 0.00 60.65 60.52 3mvp h LYS 54 Cb 0.16 -0.26 -0.02 0.00 -0.00 0.00 0.00 32.23 32.12 3mvp h LYS 54 CO -0.21 0.90 -0.62 -0.22 -0.00 0.00 0.00 179.45 179.31 3mvp h LYS 55 N 1.27 0.00 -0.20 0.07 1.63 -1.05 -3.02 116.57 115.28 3mvp h LYS 55 Ca 0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 3mvp h LYS 55 Cb -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3mvp h LYS 55 CO -0.06 0.62 0.00 0.00 -3.45 0.00 0.00 179.45 176.56 3mvp n ALA 56 N -2.31 2.50 -3.75 5.00 0.00 -0.17 -4.95 120.51 116.84 3mvp n ALA 56 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 3mvp n ALA 56 Cb 0.71 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 19.14 3mvp n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mvp n ASP 57 N 0.52 -2.74 -4.20 0.00 8.00 -0.84 -4.94 116.55 112.35 3mvp n ASP 57 Ca 0.16 -0.78 -0.15 0.00 0.71 0.00 0.00 54.79 54.73 3mvp n ASP 57 Cb 0.38 -4.11 -0.11 0.00 -0.02 0.00 0.00 41.12 37.26 3mvp n ASP 57 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3mvp s VAL 58 N -3.51 1.06 0.67 2.53 0.11 -0.48 -5.05 120.40 115.72 3mvp s VAL 58 Ca 0.26 -1.71 -0.13 0.00 -2.93 0.00 0.00 61.98 57.47 3mvp s VAL 58 Cb -0.13 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 3mvp s VAL 58 CO 0.81 -0.55 1.08 -0.94 -3.33 0.00 0.00 175.10 172.17 3mvp s SER 59 N -2.53 5.21 0.27 3.54 1.04 -1.26 -4.22 113.70 115.74 3mvp s SER 59 Ca 0.08 1.84 -0.04 0.00 0.48 0.00 0.00 55.95 58.31 3mvp s SER 59 Cb -0.03 -2.53 0.35 0.00 0.10 0.00 0.00 66.02 63.91 3mvp s SER 59 CO 0.01 -1.56 1.92 0.58 0.98 0.00 0.00 173.24 175.17 3mvp h VAL 60 N -0.24 1.23 -0.32 5.02 2.07 -1.94 -1.77 116.25 120.30 3mvp h VAL 60 Ca -0.46 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3mvp h VAL 60 Cb 1.23 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3mvp h VAL 60 CO 0.55 0.24 0.12 1.23 0.02 0.00 0.00 177.57 179.73 3mvp h GLY 61 N 1.19 0.53 0.82 2.17 0.00 -1.99 -1.68 103.07 104.11 3mvp h GLY 61 Ca 0.31 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3mvp h GLY 61 CO -0.06 0.28 0.16 -0.84 0.00 0.00 0.00 176.54 176.08 3mvp h THR 62 N 0.37 0.98 -0.09 4.70 2.02 -1.89 -1.55 112.91 117.45 3mvp h THR 62 Ca 0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3mvp h THR 62 Cb 0.21 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3mvp h THR 62 CO -0.01 0.06 0.05 0.25 0.37 0.00 0.00 175.52 176.25 3mvp h LEU 63 N 0.34 0.09 -1.00 2.58 5.85 -1.22 -2.04 115.31 119.91 3mvp h LEU 63 Ca 0.14 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.00 3mvp h LEU 63 Cb 0.06 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 3mvp h LEU 63 CO -0.11 0.06 0.62 0.22 -0.34 0.00 0.00 178.44 178.90 3mvp h TYR 64 N 0.11 1.12 -0.83 1.25 3.20 -1.16 0.29 116.97 120.95 3mvp h TYR 64 Ca 0.03 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3mvp h TYR 64 Cb -0.01 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 37.87 3mvp h TYR 64 CO -0.08 0.39 0.55 0.00 -1.64 0.00 0.00 178.16 177.38 3mvp h ALA 65 N 1.57 1.43 -0.04 1.82 0.00 -0.59 -2.83 119.26 120.61 3mvp h ALA 65 Ca 0.52 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.20 3mvp h ALA 65 Cb 0.61 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3mvp h ALA 65 CO -0.30 0.52 -0.64 1.88 0.00 0.00 0.00 179.25 180.71 3mvp h TYR 66 N 1.10 0.72 -2.90 0.00 0.05 -0.33 -3.45 116.97 112.16 3mvp h TYR 66 Ca 0.31 -0.37 -0.26 0.00 0.05 0.00 0.00 58.73 58.46 3mvp h TYR 66 Cb -0.10 -0.09 -0.34 0.00 1.01 0.00 0.00 36.73 37.21 3mvp h TYR 66 CO -0.00 1.17 -0.59 -0.06 -1.05 0.00 0.00 178.16 177.64 3mvp s PHE 67 N -3.39 -0.30 0.36 4.88 0.08 0.77 -5.03 117.98 115.34 3mvp s PHE 67 Ca -0.12 0.72 0.06 0.00 0.12 0.00 0.00 56.93 57.70 3mvp s PHE 67 Cb 0.05 -0.18 0.69 0.00 -0.57 0.00 0.00 43.02 43.02 3mvp s PHE 67 CO 0.84 -0.36 1.93 0.00 -0.10 0.00 0.00 175.22 177.53 3mvp h ALA 68 N 8.32 1.48 -2.69 5.36 0.00 -1.83 -3.33 119.26 126.58 3mvp h ALA 68 Ca -0.14 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 3mvp h ALA 68 Cb 1.12 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 3mvp h ALA 68 CO 0.16 0.38 -0.48 -1.54 0.00 0.00 0.00 179.25 177.77 3mvp s SER 69 N -6.73 0.30 0.27 0.00 1.04 -1.26 -4.97 113.70 102.35 3mvp s SER 69 Ca -0.08 -1.34 -0.02 0.00 0.48 0.00 0.00 55.95 54.99 3mvp s SER 69 Cb 0.16 0.46 0.36 0.00 0.10 0.00 0.00 66.02 67.10 3mvp s SER 69 CO 0.75 -0.95 1.83 0.50 0.98 0.00 0.00 173.24 176.35 3mvp h LYS 70 N 2.47 0.92 -0.31 4.02 3.64 -1.98 -2.77 116.57 122.56 3mvp h LYS 70 Ca -0.32 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 3mvp h LYS 70 Cb 1.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 3mvp h LYS 70 CO 0.47 0.78 0.11 0.93 -2.27 0.00 0.00 179.45 179.47 3mvp h GLU 71 N 0.89 0.43 -0.69 1.90 5.08 -1.99 -1.26 114.58 118.94 3mvp h GLU 71 Ca 0.20 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3mvp h GLU 71 Cb 0.24 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3mvp h GLU 71 CO -0.01 0.37 0.18 -0.44 -1.00 0.00 0.00 179.01 178.10 3mvp h ASP 72 N 0.43 1.04 -0.23 1.42 3.32 -1.89 -0.30 116.42 120.21 3mvp h ASP 72 Ca 0.11 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3mvp h ASP 72 Cb 0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3mvp h ASP 72 CO -0.01 0.99 0.12 0.40 -1.72 0.00 0.00 179.24 179.01 3mvp h ILE 73 N 1.04 1.12 -0.62 0.35 2.04 -1.22 -2.46 117.51 117.76 3mvp h ILE 73 Ca 0.22 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3mvp h ILE 73 Cb 0.35 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3mvp h ILE 73 CO -0.00 0.12 0.40 0.25 0.00 0.00 0.00 178.15 178.92 3mvp h LEU 74 N 0.25 0.68 -0.70 1.44 5.85 -0.97 -1.69 115.31 120.17 3mvp h LEU 74 Ca 0.08 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3mvp h LEU 74 Cb 0.09 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3mvp h LEU 74 CO -0.01 0.48 0.41 0.74 -0.34 0.00 0.00 178.44 179.72 3mvp h THR 75 N 0.81 1.01 -0.80 1.05 2.02 -0.95 0.19 112.91 116.24 3mvp h THR 75 Ca 0.24 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 3mvp h THR 75 Cb -0.05 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.50 3mvp h THR 75 CO -0.07 0.14 0.32 0.00 0.37 0.00 0.00 175.52 176.28 3mvp h ALA 76 N 1.34 1.07 -0.44 6.16 0.00 -0.94 0.16 119.26 126.60 3mvp h ALA 76 Ca 0.31 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3mvp h ALA 76 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3mvp h ALA 76 CO -0.16 0.66 -0.20 -0.07 0.00 0.00 0.00 179.25 179.49 3mvp h LEU 77 N 1.16 0.89 -0.63 0.00 3.38 -0.54 -1.94 115.31 117.63 3mvp h LEU 77 Ca 0.27 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3mvp h LEU 77 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3mvp h LEU 77 CO -0.02 1.06 -0.08 -0.07 0.09 0.00 0.00 178.44 179.41 3mvp h LEU 78 N 0.77 0.98 -0.53 1.67 3.38 -0.09 -0.46 115.31 121.02 3mvp h LEU 78 Ca 0.11 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3mvp h LEU 78 Cb 0.73 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3mvp h LEU 78 CO 0.06 1.08 0.09 0.50 0.09 0.00 0.00 178.44 180.25 3mvp h LYS 79 N 0.88 0.88 -0.46 1.13 3.64 -0.61 0.63 116.57 122.67 3mvp h LYS 79 Ca 0.14 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3mvp h LYS 79 Cb 0.63 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 3mvp h LYS 79 CO 0.04 0.86 0.22 0.00 -2.27 0.00 0.00 179.45 178.30 3mvp h ARG 80 N 0.77 0.66 -0.91 1.90 3.08 -1.23 -1.19 114.38 117.45 3mvp h ARG 80 Ca 0.16 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3mvp h ARG 80 Cb 0.40 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3mvp h ARG 80 CO 0.01 0.56 0.60 -0.92 -1.07 0.00 0.00 179.97 179.15 3mvp h TYR 81 N 0.59 1.16 0.10 3.04 3.20 -0.73 -0.49 116.97 123.84 3mvp h TYR 81 Ca 0.16 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3mvp h TYR 81 Cb 0.12 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.00 3mvp h TYR 81 CO -0.01 0.74 -0.05 -0.97 -1.64 0.00 0.00 178.16 176.23 3mvp h ASN 82 N 1.24 -0.11 -0.71 -2.11 -1.24 -0.49 0.10 115.58 112.26 3mvp h ASN 82 Ca 0.33 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.28 3mvp h ASN 82 Cb -0.13 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 3mvp h ASN 82 CO -0.07 -0.05 0.32 0.44 -1.29 0.00 0.00 177.43 176.78 3mvp h ASP 83 N -0.17 0.96 -0.43 1.15 3.32 -1.06 0.12 116.42 120.31 3mvp h ASP 83 Ca -0.01 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 3mvp h ASP 83 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3mvp h ASP 83 CO 0.02 0.83 -0.21 0.15 -1.72 0.00 0.00 179.24 178.31 3mvp h PHE 84 N 1.04 1.07 0.05 4.55 3.57 -0.92 -0.38 116.94 125.92 3mvp h PHE 84 Ca 0.25 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3mvp h PHE 84 Cb 0.15 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.64 3mvp h PHE 84 CO 0.01 1.05 -0.02 0.35 -2.23 0.00 0.00 178.31 177.48 3mvp h PHE 85 N 0.81 -0.06 -0.62 0.41 3.57 -0.56 -1.97 116.94 118.53 3mvp h PHE 85 Ca 0.11 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3mvp h PHE 85 Cb 0.78 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 3mvp h PHE 85 CO 0.05 0.04 0.17 -0.07 -2.23 0.00 0.00 178.31 176.27 3mvp h LEU 86 N -0.15 0.92 0.00 0.59 3.38 -0.91 0.14 115.31 119.29 3mvp h LEU 86 Ca -0.01 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 3mvp h LEU 86 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3mvp h LEU 86 CO 0.01 0.90 -1.01 0.71 0.09 0.00 0.00 178.44 179.14 3mvp h THR 87 N 0.90 1.00 0.00 0.22 1.35 -1.07 -2.87 112.91 112.44 3mvp h THR 87 Ca 0.20 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 3mvp h THR 87 Cb 0.33 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3mvp h THR 87 CO -0.00 0.57 0.00 0.35 -0.25 0.00 0.00 175.52 176.19 3mvp n THR 88 N -3.15 0.00 -0.02 6.82 -2.24 -0.74 -4.51 114.28 110.43 3mvp n THR 88 Ca -0.04 0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 3mvp n THR 88 Cb 0.86 -0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 3mvp n THR 88 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3mvp h ILE 89 N 0.00 1.06 -0.20 2.28 2.10 -1.65 -2.97 117.51 118.13 3mvp h ILE 89 Ca 0.00 -0.16 -0.17 0.00 1.08 0.00 0.00 64.86 65.61 3mvp h ILE 89 Cb 0.00 0.91 -0.00 0.00 -1.09 0.00 0.00 36.82 36.64 3mvp h ILE 89 CO 0.00 0.06 -0.57 0.15 -1.08 0.00 0.00 178.15 176.70 3mvp h PHE 90 N 0.16 0.81 -0.49 2.19 3.57 -0.91 -2.87 116.94 119.40 3mvp h PHE 90 Ca 0.05 -0.29 0.06 0.00 3.53 0.00 0.00 57.97 61.32 3mvp h PHE 90 Cb 0.02 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3mvp h PHE 90 CO -0.06 1.06 0.19 0.00 -2.23 0.00 0.00 178.31 177.27 3mvp h ALA 91 N 0.88 0.61 -0.02 2.41 0.00 -1.50 0.69 119.26 122.32 3mvp h ALA 91 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mvp h ALA 91 Cb 1.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3mvp h ALA 91 CO 0.11 -0.20 0.01 -0.44 0.00 0.00 0.00 179.25 178.73 3mvp h ASP 92 N 0.37 0.03 -0.53 0.00 3.32 -1.56 -2.30 116.42 115.74 3mvp h ASP 92 Ca 0.23 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3mvp h ASP 92 Cb 0.24 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3mvp h ASP 92 CO -0.23 0.23 0.35 0.40 -1.72 0.00 0.00 179.24 178.26 3mvp h ILE 93 N -0.16 1.14 -0.01 0.35 1.08 -1.26 -2.64 117.51 116.00 3mvp h ILE 93 Ca 0.01 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3mvp h ILE 93 Cb 0.21 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 3mvp h ILE 93 CO -0.00 0.14 -0.18 -3.20 -0.69 0.00 0.00 178.15 174.22 3mvp n ASN 94 N -4.45 0.96 -4.73 1.72 5.15 0.21 -4.74 115.26 109.39 3mvp n ASN 94 Ca 0.05 -0.92 -0.33 0.00 -0.60 0.00 0.00 54.58 52.78 3mvp n ASN 94 Cb 0.05 0.06 0.10 0.00 -0.53 0.00 0.00 39.78 39.47 3mvp n ASN 94 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3mvp s SER 95 N -2.40 4.12 0.23 1.20 1.04 -0.87 -4.92 113.70 112.09 3mvp s SER 95 Ca 0.28 2.19 -0.07 0.00 0.48 0.00 0.00 55.95 58.83 3mvp s SER 95 Cb 0.20 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 64.07 3mvp s SER 95 CO 0.48 -2.31 1.81 -0.61 0.98 0.00 0.00 173.24 173.59 3mvp h GLN 96 N -0.69 0.73 -0.89 4.02 5.75 -1.91 -2.08 115.11 120.05 3mvp h GLN 96 Ca -0.46 -0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.20 3mvp h GLN 96 Cb 1.27 -0.17 -0.12 0.00 1.07 0.00 0.00 27.48 29.54 3mvp h GLN 96 CO 0.49 0.49 0.40 0.22 -2.65 0.00 0.00 178.83 177.78 3mvp h ASP 97 N 0.76 0.37 -0.64 -0.69 1.82 -1.92 0.07 116.42 116.19 3mvp h ASP 97 Ca 0.35 0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 57.11 3mvp h ASP 97 Cb 0.26 0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 3mvp h ASP 97 CO -0.21 0.05 0.31 -1.28 -1.61 0.00 0.00 179.24 176.49 3mvp h SER 98 N 0.45 0.84 -0.76 2.28 0.87 -1.61 -2.01 113.55 113.62 3mvp h SER 98 Ca 0.54 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.98 3mvp h SER 98 Cb 0.98 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 3mvp h SER 98 CO -0.49 0.74 0.49 -0.07 -0.53 0.00 0.00 176.83 176.97 3mvp h LEU 99 N 0.89 0.84 -0.43 2.23 3.38 -0.77 -2.52 115.31 118.94 3mvp h LEU 99 Ca 0.22 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3mvp h LEU 99 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3mvp h LEU 99 CO -0.03 0.60 0.14 0.44 0.09 0.00 0.00 178.44 179.68 3mvp h ASP 100 N 0.99 0.62 -0.52 -0.43 3.32 -0.93 -2.04 116.42 117.43 3mvp h ASP 100 Ca 0.29 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3mvp h ASP 100 Cb -0.06 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3mvp h ASP 100 CO -0.08 0.65 0.31 0.03 -1.72 0.00 0.00 179.24 178.43 3mvp h ARG 101 N 0.55 0.60 -0.39 3.56 3.08 -1.22 0.38 114.38 120.93 3mvp h ARG 101 Ca 0.14 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.21 3mvp h ARG 101 Cb 0.25 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3mvp h ARG 101 CO -0.01 0.40 0.09 0.35 -1.07 0.00 0.00 179.97 179.73 3mvp h PHE 102 N 0.62 0.14 -0.69 3.04 3.57 -1.32 -0.47 116.94 121.83 3mvp h PHE 102 Ca 0.21 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3mvp h PHE 102 Cb 0.02 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3mvp h PHE 102 CO -0.07 0.03 0.24 -0.22 -2.23 0.00 0.00 178.31 176.06 3mvp h LYS 103 N 0.22 1.04 0.79 1.11 3.64 -0.92 -2.46 116.57 119.99 3mvp h LYS 103 Ca 0.19 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3mvp h LYS 103 Cb 0.21 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3mvp h LYS 103 CO -0.24 0.87 -0.38 0.87 -2.27 0.00 0.00 179.45 178.31 3mvp h LYS 104 N 1.01 -1.03 -1.43 1.90 1.57 -0.66 -3.44 116.57 114.49 3mvp h LYS 104 Ca 0.23 0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 3mvp h LYS 104 Cb 0.25 0.23 -0.25 0.00 0.08 0.00 0.00 32.23 32.54 3mvp h LYS 104 CO -0.01 -0.67 -0.39 1.21 -0.57 0.00 0.00 179.45 179.02 3mvp s ASN 105 N -4.30 -0.58 0.60 0.86 3.04 -0.21 -5.02 114.94 109.33 3mvp s ASN 105 Ca -0.18 0.47 0.30 0.00 0.04 0.00 0.00 52.86 53.49 3mvp s ASN 105 Cb 0.02 1.64 1.78 0.00 -1.54 0.00 0.00 41.25 43.15 3mvp s ASN 105 CO 0.57 -0.29 2.18 -0.65 -3.04 0.00 0.00 177.10 175.87 3mvp h PRO 106 N 8.09 0.00 -0.36 0.43 0.11 -1.62 -1.88 132.00 136.77 3mvp h PRO 106 Ca -0.19 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.78 3mvp h PRO 106 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3mvp h PRO 106 CO 0.26 0.00 -0.32 -0.22 -0.21 0.00 0.00 178.00 177.51 3mvp h LYS 107 N 0.00 0.85 -0.53 1.05 3.64 -1.91 -0.18 116.57 119.49 3mvp h LYS 107 Ca 0.04 -0.44 -0.08 0.00 -1.27 0.00 0.00 60.65 58.90 3mvp h LYS 107 Cb 0.24 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3mvp h LYS 107 CO -0.00 1.08 -0.00 0.93 -2.27 0.00 0.00 179.45 179.19 3mvp h GLU 108 N 0.65 0.91 -0.58 1.90 5.08 -1.69 -0.36 114.58 120.50 3mvp h GLU 108 Ca 0.06 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3mvp h GLU 108 Cb 0.90 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3mvp h GLU 108 CO 0.08 0.91 0.27 2.35 -1.00 0.00 0.00 179.01 181.62 3mvp h TRP 109 N 0.84 0.84 -0.02 4.33 7.01 -1.36 -1.99 115.95 125.60 3mvp h TRP 109 Ca 0.16 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 3mvp h TRP 109 Cb 0.50 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 3mvp h TRP 109 CO 0.03 0.65 0.01 -0.07 -2.79 0.00 0.00 178.44 176.27 3mvp h LEU 110 N 0.79 0.03 -0.56 0.65 3.38 -0.69 -1.38 115.31 117.52 3mvp h LEU 110 Ca 0.20 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.20 3mvp h LEU 110 Cb 0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3mvp h LEU 110 CO -0.02 0.09 0.10 0.78 0.09 0.00 0.00 178.44 179.48 3mvp h ASN 111 N -0.03 -0.03 -0.23 -0.43 4.21 -0.98 -1.00 115.58 117.09 3mvp h ASN 111 Ca 0.01 0.11 -0.03 0.00 1.21 0.00 0.00 56.30 57.59 3mvp h ASN 111 Cb 0.07 0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 3mvp h ASN 111 CO -0.00 0.00 0.01 0.58 -1.29 0.00 0.00 177.43 176.73 3mvp h VAL 112 N 0.23 1.25 -0.24 2.81 2.07 -1.17 -1.07 116.25 120.13 3mvp h VAL 112 Ca 0.29 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3mvp h VAL 112 Cb 0.42 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3mvp h VAL 112 CO -0.39 0.26 0.03 0.25 0.02 0.00 0.00 177.57 177.75 3mvp h LEU 113 N 0.17 0.38 -0.56 2.57 5.85 -1.10 -1.45 115.31 121.17 3mvp h LEU 113 Ca 0.07 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3mvp h LEU 113 Cb 0.38 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3mvp h LEU 113 CO 0.01 0.56 0.19 0.40 -0.34 0.00 0.00 178.44 179.26 3mvp h ILE 114 N 0.20 1.23 -0.48 4.05 1.08 -1.14 -0.77 117.51 121.68 3mvp h ILE 114 Ca 0.07 -0.78 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 3mvp h ILE 114 Cb 0.34 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3mvp h ILE 114 CO 0.01 0.29 0.09 0.78 -0.69 0.00 0.00 178.15 178.63 3mvp h ASN 115 N 0.78 0.70 -0.63 1.72 2.35 -1.12 -0.03 115.58 119.35 3mvp h ASN 115 Ca 0.18 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3mvp h ASN 115 Cb 0.26 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3mvp h ASN 115 CO -0.01 0.71 0.16 1.56 -1.65 0.00 0.00 177.43 178.20 3mvp h GLN 116 N 0.72 1.01 -0.61 0.81 4.20 -0.78 -2.10 115.11 118.37 3mvp h GLN 116 Ca 0.16 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 3mvp h GLN 116 Cb 0.31 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3mvp h GLN 116 CO 0.00 0.92 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.00 3mvp h LEU 117 N 0.93 1.06 -1.46 1.46 4.07 -0.79 -2.72 115.31 117.86 3mvp h LEU 117 Ca 0.20 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.80 3mvp h LEU 117 Cb 0.36 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3mvp h LEU 117 CO 0.00 1.11 -0.23 -0.07 -1.08 0.00 0.00 178.44 178.18 3mvp h LEU 118 N 0.98 0.00 -3.13 1.67 3.38 -0.87 -2.84 115.31 114.49 3mvp h LEU 118 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mvp h LEU 118 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3mvp h LEU 118 CO 0.03 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3mvp n ALA 119 N -2.30 3.32 -1.75 1.53 0.00 -0.80 -4.99 120.51 115.52 3mvp n ALA 119 Ca -0.01 -1.61 -0.42 0.00 0.00 0.00 0.00 53.44 51.40 3mvp n ALA 119 Cb 0.35 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 3mvp n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mvp n ALA 120 N 0.94 2.49 -1.62 0.00 0.00 -1.07 -4.95 120.51 116.29 3mvp n ALA 120 Ca 0.25 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.72 3mvp n ALA 120 Cb 0.95 -2.45 0.02 0.00 0.00 0.00 0.00 19.45 17.98 3mvp n ALA 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mvp s GLU 121 N -0.93 3.12 -1.48 0.00 2.12 -1.26 -4.01 118.70 116.25 3mvp s GLU 121 Ca 0.61 1.38 -0.07 0.00 0.36 0.00 0.00 54.97 57.25 3mvp s GLU 121 Cb -0.49 -1.99 0.02 0.00 0.26 0.00 0.00 34.13 31.92 3mvp s GLU 121 CO 0.53 -1.00 0.82 -0.25 -0.54 0.00 0.00 175.26 174.81 3mvp n ASP 122 N -2.00 -6.01 -0.14 -1.70 8.00 -1.26 -4.90 116.55 108.54 3mvp n ASP 122 Ca 0.10 -0.41 0.01 0.00 0.71 0.00 0.00 54.79 55.20 3mvp n ASP 122 Cb 0.52 -4.81 0.28 0.00 -0.02 0.00 0.00 41.12 37.09 3mvp n ASP 122 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3mvp h LYS 123 N -1.84 0.83 -0.18 -1.24 1.57 -1.98 -0.77 116.57 112.95 3mvp h LYS 123 Ca -0.54 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.14 3mvp h LYS 123 Cb 1.36 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3mvp h LYS 123 CO 0.57 0.59 0.04 0.82 -0.57 0.00 0.00 179.45 180.90 3mvp h ILE 124 N 0.84 1.21 -0.43 1.86 1.08 -1.94 -2.03 117.51 118.11 3mvp h ILE 124 Ca 0.22 -0.69 -0.10 0.00 -0.39 0.00 0.00 64.86 63.90 3mvp h ILE 124 Cb -0.01 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3mvp h ILE 124 CO -0.04 0.21 -0.13 0.15 -0.69 0.00 0.00 178.15 177.65 3mvp h PHE 125 N 0.10 0.86 -1.00 1.37 3.57 -1.91 -2.95 116.94 116.98 3mvp h PHE 125 Ca 0.06 -0.16 0.11 0.00 3.53 0.00 0.00 57.97 61.50 3mvp h PHE 125 Cb 0.29 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 3mvp h PHE 125 CO 0.01 0.86 0.63 1.25 -2.23 0.00 0.00 178.31 178.84 3mvp h HIS 126 N 0.70 1.15 -0.75 0.41 2.76 -0.84 -0.56 115.15 118.02 3mvp h HIS 126 Ca 0.12 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3mvp h HIS 126 Cb 0.61 -0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 3mvp h HIS 126 CO 0.03 0.48 0.40 0.00 -1.30 0.00 0.00 177.93 177.54 3mvp h ALA 127 N 1.52 1.30 -0.77 5.26 0.00 -1.20 -0.68 119.26 124.70 3mvp h ALA 127 Ca 0.48 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3mvp h ALA 127 Cb 0.43 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3mvp h ALA 127 CO -0.25 0.57 0.30 1.96 0.00 0.00 0.00 179.25 181.83 3mvp h GLN 128 N 1.04 1.14 -0.68 0.00 1.08 -1.12 -2.71 115.11 113.87 3mvp h GLN 128 Ca 0.26 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3mvp h GLN 128 Cb 0.04 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 3mvp h GLN 128 CO -0.04 0.93 0.35 0.82 -0.95 0.00 0.00 178.83 179.94 3mvp h ILE 129 N 1.12 1.22 0.00 2.54 2.04 -0.17 0.90 117.51 125.15 3mvp h ILE 129 Ca 0.26 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3mvp h ILE 129 Cb 0.22 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3mvp h ILE 129 CO -0.02 0.25 0.00 -0.62 0.00 0.00 0.00 178.15 177.76 3mvp n GLU 130 N -4.49 0.00 0.00 2.37 1.02 -0.36 -0.59 120.64 118.59 3mvp n GLU 130 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3mvp n GLU 130 Cb 0.11 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3mvp n GLU 130 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3mvp n LEU 132 N 0.52 0.00 0.30 -4.62 4.77 0.31 -4.03 117.00 114.25 3mvp n LEU 132 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.15 3mvp n LEU 132 Cb 0.00 0.00 0.96 0.00 -2.33 0.00 0.00 43.42 42.05 3mvp n LEU 132 CO 0.00 0.00 1.11 0.00 -1.33 0.00 0.00 177.39 177.17 3mvp h ALA 133 N 0.00 1.34 0.00 -1.18 0.00 -1.10 0.17 119.26 118.49 3mvp h ALA 133 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mvp h ALA 133 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mvp h ALA 133 CO 0.00 0.03 0.00 1.88 0.00 0.00 0.00 179.25 181.16 3mvp h TYR 134 N 0.00 0.00 0.00 0.00 0.05 -1.86 -3.38 116.97 111.79 3mvp h TYR 134 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3mvp h TYR 134 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3mvp h TYR 134 CO 0.00 0.00 -0.94 0.00 -1.05 0.00 0.00 178.16 176.17 3mvp n ALA 135 N -2.09 1.91 -4.00 3.88 0.00 -0.32 -5.01 120.51 114.88 3mvp n ALA 135 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 3mvp n ALA 135 Cb 0.38 0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 3mvp n ALA 135 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3mvp s ILE 136 N -1.91 1.81 0.40 0.00 -1.09 0.45 -5.01 121.20 115.86 3mvp s ILE 136 Ca 0.00 -1.42 0.16 0.00 -2.23 0.00 0.00 60.65 57.16 3mvp s ILE 136 Cb 0.00 -2.02 0.37 0.00 -1.58 0.00 0.00 42.46 39.23 3mvp s ILE 136 CO 0.00 -0.08 1.85 -0.65 -1.23 0.00 0.00 174.94 174.82 3mvp h PRO 137 N 7.87 0.45 -0.35 2.79 0.11 -1.86 -1.51 132.00 139.50 3mvp h PRO 137 Ca -0.18 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.81 3mvp h PRO 137 Cb 1.06 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3mvp h PRO 137 CO 0.43 0.30 -0.17 0.37 -0.21 0.00 0.00 178.00 178.73 3mvp h GLN 138 N 0.47 0.63 -0.31 1.05 4.15 -1.95 0.11 115.11 119.27 3mvp h GLN 138 Ca 0.48 -0.22 -0.12 0.00 0.77 0.00 0.00 58.65 59.57 3mvp h GLN 138 Cb 1.12 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 3mvp h GLN 138 CO -0.20 0.77 -0.26 0.00 -1.93 0.00 0.00 178.83 177.21 3mvp h ALA 139 N 1.25 0.45 -0.44 3.38 0.00 -1.60 -0.89 119.26 121.41 3mvp h ALA 139 Ca 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3mvp h ALA 139 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3mvp h ALA 139 CO 0.04 0.44 0.25 -0.22 0.00 0.00 0.00 179.25 179.77 3mvp h LYS 140 N 0.48 0.60 -0.46 0.00 1.63 -1.20 -2.08 116.57 115.54 3mvp h LYS 140 Ca 0.06 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3mvp h LYS 140 Cb 0.82 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 3mvp h LYS 140 CO 0.07 0.46 0.25 0.00 -3.45 0.00 0.00 179.45 176.78 3mvp h ALA 141 N 1.10 0.58 0.15 5.00 0.00 -0.68 -1.68 119.26 123.73 3mvp h ALA 141 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mvp h ALA 141 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mvp h ALA 141 CO -0.03 0.11 -0.12 1.25 0.00 0.00 0.00 179.25 180.46 3mvp h LEU 142 N 0.60 -0.30 -1.06 0.00 5.85 -0.99 -0.49 115.31 118.92 3mvp h LEU 142 Ca 0.16 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3mvp h LEU 142 Cb 0.05 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3mvp h LEU 142 CO -0.03 -0.18 0.16 -0.07 -0.34 0.00 0.00 178.44 177.98 3mvp h LEU 143 N -0.28 0.77 -0.64 2.25 3.38 -1.30 -1.75 115.31 117.75 3mvp h LEU 143 Ca -0.00 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3mvp h LEU 143 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3mvp h LEU 143 CO -0.01 0.73 0.05 -0.33 0.09 0.00 0.00 178.44 178.97 3mvp h GLU 144 N 0.81 1.10 -0.57 1.13 4.39 -1.03 -0.23 114.58 120.17 3mvp h GLU 144 Ca 0.18 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.58 3mvp h GLU 144 Cb 0.25 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 3mvp h GLU 144 CO -0.01 1.04 0.36 0.93 -1.16 0.00 0.00 179.01 180.17 3mvp h GLU 145 N 1.01 0.69 -0.41 2.33 5.08 -0.74 0.11 114.58 122.66 3mvp h GLU 145 Ca 0.19 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3mvp h GLU 145 Cb 0.51 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3mvp h GLU 145 CO 0.02 0.46 -0.04 0.45 -1.00 0.00 0.00 179.01 178.90 3mvp h HIS 146 N 0.71 0.82 -0.50 4.33 3.86 -0.96 0.35 115.15 123.76 3mvp h HIS 146 Ca 0.22 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 3mvp h HIS 146 Cb -0.01 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 3mvp h HIS 146 CO -0.05 0.84 0.07 -0.91 0.86 0.00 0.00 177.93 178.73 3mvp h ASN 147 N 0.57 0.80 -0.57 2.45 2.35 -0.91 -1.80 115.58 118.48 3mvp h ASN 147 Ca 0.11 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 3mvp h ASN 147 Cb 0.54 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 3mvp h ASN 147 CO 0.03 0.87 0.17 0.78 -1.65 0.00 0.00 177.43 177.62 3mvp h ASN 148 N 0.71 0.87 -0.16 5.81 2.35 -0.67 -0.47 115.58 124.02 3mvp h ASN 148 Ca 0.15 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3mvp h ASN 148 Cb 0.42 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 3mvp h ASN 148 CO 0.01 0.84 -0.12 0.78 -1.65 0.00 0.00 177.43 177.29 3mvp h ASN 149 N 0.90 -0.39 -0.56 5.81 2.35 -0.74 0.00 115.58 122.95 3mvp h ASN 149 Ca 0.20 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 3mvp h ASN 149 Cb 0.30 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3mvp h ASN 149 CO -0.00 -0.16 0.05 -0.07 -1.65 0.00 0.00 177.43 175.60 3mvp h LEU 150 N -0.13 0.95 -0.69 1.61 3.38 -1.06 -1.01 115.31 118.35 3mvp h LEU 150 Ca 0.10 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3mvp h LEU 150 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3mvp h LEU 150 CO -0.24 0.97 0.24 0.11 0.09 0.00 0.00 178.44 179.61 3mvp h LYS 151 N 0.92 1.06 -0.56 1.13 1.57 -0.96 -1.74 116.57 117.98 3mvp h LYS 151 Ca 0.18 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3mvp h LYS 151 Cb 0.46 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3mvp h LYS 151 CO 0.02 0.90 -0.08 -0.97 -0.57 0.00 0.00 179.45 178.75 3mvp h ASN 152 N 1.00 1.04 -0.60 0.86 -1.24 -0.65 -1.40 115.58 114.59 3mvp h ASN 152 Ca 0.23 -0.34 -0.00 0.00 0.71 0.00 0.00 56.30 56.89 3mvp h ASN 152 Cb 0.26 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 3mvp h ASN 152 CO -0.01 1.14 0.37 0.25 -1.29 0.00 0.00 177.43 177.88 3mvp h LEU 153 N 0.93 0.72 -0.84 0.34 7.12 -1.08 0.45 115.31 122.95 3mvp h LEU 153 Ca 0.15 -0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.17 3mvp h LEU 153 Cb 0.65 -0.18 -0.06 0.00 -0.53 0.00 0.00 40.66 40.53 3mvp h LEU 153 CO 0.04 0.57 0.51 0.74 -0.13 0.00 0.00 178.44 180.17 3mvp h THR 154 N 0.82 1.00 -0.44 1.05 2.02 -0.95 0.69 112.91 117.09 3mvp h THR 154 Ca 0.22 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3mvp h THR 154 Cb -0.03 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 3mvp h THR 154 CO -0.04 0.16 0.16 0.22 0.37 0.00 0.00 175.52 176.39 3mvp h TYR 155 N 0.90 0.69 -0.43 3.16 3.20 -0.68 -2.03 116.97 121.79 3mvp h TYR 155 Ca 0.38 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 3mvp h TYR 155 Cb 0.23 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3mvp h TYR 155 CO -0.04 0.61 0.22 0.87 -1.64 0.00 0.00 178.16 178.18 3mvp h LYS 156 N 0.57 0.58 -0.10 1.82 1.57 0.13 -1.09 116.57 120.06 3mvp h LYS 156 Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3mvp h LYS 156 Cb 0.23 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3mvp h LYS 156 CO -0.01 0.44 0.02 0.00 -0.57 0.00 0.00 179.45 179.34 3mvp h LEU 158 N -0.06 0.77 -0.70 0.00 3.38 -0.88 -0.88 115.31 116.95 3mvp h LEU 158 Ca 0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3mvp h LEU 158 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3mvp h LEU 158 CO 0.00 0.55 0.23 -0.07 0.09 0.00 0.00 178.44 179.24 3mvp h LEU 159 N 0.91 1.01 -0.62 1.67 3.38 -1.15 -2.92 115.31 117.59 3mvp h LEU 159 Ca 0.27 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3mvp h LEU 159 Cb -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3mvp h LEU 159 CO -0.08 0.94 0.04 0.22 0.09 0.00 0.00 178.44 179.66 3mvp h TYR 160 N 1.02 1.15 -0.93 1.13 3.20 -0.61 0.18 116.97 122.12 3mvp h TYR 160 Ca 0.23 -0.18 0.08 0.00 3.14 0.00 0.00 58.73 61.99 3mvp h TYR 160 Cb 0.29 -0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 3mvp h TYR 160 CO 0.02 1.00 0.58 -0.92 -1.64 0.00 0.00 178.16 177.20 3mvp h TYR 161 N 0.97 1.07 -0.01 -3.82 3.20 -1.07 -2.97 116.97 114.34 3mvp h TYR 161 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3mvp h TYR 161 Cb 0.51 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3mvp h TYR 161 CO 0.04 0.50 -0.35 0.45 -1.64 0.00 0.00 178.16 177.17 3mvp n SER 162 N -4.60 1.70 -3.87 -2.11 2.88 -1.07 -4.97 113.62 101.56 3mvp n SER 162 Ca 0.15 -1.32 -0.27 0.00 -1.33 0.00 0.00 58.87 56.10 3mvp n SER 162 Cb 0.23 0.30 -0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3mvp n SER 162 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3mvp n ASP 163 N -0.16 -1.67 -4.55 -3.46 8.00 -0.13 -5.02 116.55 109.56 3mvp n ASP 163 Ca 0.11 -1.01 -0.29 0.00 0.71 0.00 0.00 54.79 54.32 3mvp n ASP 163 Cb 0.43 -3.15 -0.10 0.00 -0.02 0.00 0.00 41.12 38.27 3mvp n ASP 163 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3mvp s GLN 164 N -6.40 2.01 0.01 -1.24 -0.21 -0.15 -5.04 119.66 108.63 3mvp s GLN 164 Ca 0.13 -1.13 0.03 0.00 0.02 0.00 0.00 55.36 54.41 3mvp s GLN 164 Cb -0.05 -2.21 -0.25 0.00 1.00 0.00 0.00 33.01 31.50 3mvp s GLN 164 CO 0.88 0.48 0.87 0.00 -2.12 0.00 0.00 175.29 175.39 3mvp h ALA 165 N 3.46 0.43 -2.28 6.09 0.00 -1.95 -3.42 119.26 121.59 3mvp h ALA 165 Ca -0.49 -1.18 -0.09 0.00 0.00 0.00 0.00 54.91 53.16 3mvp h ALA 165 Cb 1.18 0.27 -0.20 0.00 0.00 0.00 0.00 17.79 19.04 3mvp h ALA 165 CO 0.51 1.29 -0.05 0.00 0.00 0.00 0.00 179.25 181.00 3mvp s ALA 166 N -2.63 -1.30 -0.29 0.00 0.00 -1.26 -5.09 121.76 111.19 3mvp s ALA 166 Ca -0.07 0.96 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3mvp s ALA 166 Cb 0.08 -0.13 0.20 0.00 0.00 0.00 0.00 23.12 23.27 3mvp s ALA 166 CO 0.83 -0.31 0.61 1.21 0.00 0.00 0.00 175.76 178.11 3mvp s ASN 167 N -0.98 -1.52 0.53 0.00 3.84 -1.26 -5.04 114.94 110.50 3mvp s ASN 167 Ca -0.10 0.37 0.20 0.00 0.21 0.00 0.00 52.86 53.54 3mvp s ASN 167 Cb -0.03 2.04 1.38 0.00 -0.55 0.00 0.00 41.25 44.09 3mvp s ASN 167 CO 0.06 -0.28 2.14 -0.65 -2.79 0.00 0.00 177.10 175.59 3mvp h PRO 168 N 7.98 0.00 -0.20 0.43 0.11 -2.01 -1.23 132.00 137.08 3mvp h PRO 168 Ca -0.07 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.88 3mvp h PRO 168 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3mvp h PRO 168 CO 0.17 0.04 -0.52 0.66 -0.21 0.00 0.00 178.00 178.14 3mvp h SER 169 N 0.00 0.61 0.47 -2.05 4.64 -1.99 -2.24 113.55 112.99 3mvp h SER 169 Ca -0.00 -0.32 -0.13 0.00 -0.47 0.00 0.00 61.79 60.87 3mvp h SER 169 Cb 0.08 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3mvp h SER 169 CO 0.01 1.02 -0.58 -0.26 -0.87 0.00 0.00 176.83 176.15 3mvp h PHE 170 N 0.43 0.14 -0.26 4.77 0.04 -1.69 0.29 116.94 120.67 3mvp h PHE 170 Ca 0.01 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3mvp h PHE 170 Cb 1.06 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 3mvp h PHE 170 CO 0.04 0.66 0.08 0.87 -0.60 0.00 0.00 178.31 179.36 3mvp h LYS 171 N 0.08 0.40 -0.41 1.51 6.56 -1.13 0.14 116.57 123.72 3mvp h LYS 171 Ca -0.00 -0.09 0.03 0.00 -1.06 0.00 0.00 60.65 59.52 3mvp h LYS 171 Cb 1.04 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.62 3mvp h LYS 171 CO 0.08 0.47 0.22 1.15 -2.06 0.00 0.00 179.45 179.31 3mvp h THR 172 N 0.25 1.01 -0.83 -0.16 2.02 -1.31 -2.73 112.91 111.15 3mvp h THR 172 Ca 0.08 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.17 3mvp h THR 172 Cb 0.24 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 3mvp h THR 172 CO -0.00 0.08 0.51 0.25 0.37 0.00 0.00 175.52 176.73 3mvp h LEU 173 N 0.44 0.81 -1.06 2.58 5.85 -0.68 -2.51 115.31 120.75 3mvp h LEU 173 Ca 0.17 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3mvp h LEU 173 Cb 0.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3mvp h LEU 173 CO -0.10 0.53 0.16 0.77 -0.34 0.00 0.00 178.44 179.45 3mvp h SER 174 N 0.95 0.77 0.07 1.25 4.64 -0.43 0.86 113.55 121.65 3mvp h SER 174 Ca 0.36 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3mvp h SER 174 Cb 0.14 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3mvp h SER 174 CO -0.16 0.74 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.43 3mvp h LEU 175 N 0.81 -0.08 -0.06 5.97 4.07 -1.27 -1.65 115.31 123.10 3mvp h LEU 175 Ca 0.18 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 3mvp h LEU 175 Cb 0.26 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 3mvp h LEU 175 CO -0.01 0.06 0.03 0.58 -1.08 0.00 0.00 178.44 178.02 3mvp h VAL 176 N -0.20 1.06 -0.30 1.22 2.07 -1.03 -0.87 116.25 118.20 3mvp h VAL 176 Ca -0.01 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3mvp h VAL 176 Cb 0.17 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3mvp h VAL 176 CO 0.02 0.05 0.12 0.58 0.02 0.00 0.00 177.57 178.36 3mvp h VAL 177 N 0.03 1.17 -0.26 2.57 2.07 -0.90 -0.89 116.25 120.04 3mvp h VAL 177 Ca 0.02 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 3mvp h VAL 177 Cb 0.05 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3mvp h VAL 177 CO -0.00 0.18 -0.31 0.15 0.02 0.00 0.00 177.57 177.60 3mvp h PHE 178 N 0.33 0.63 -0.96 1.57 3.57 -1.20 -0.17 116.94 120.71 3mvp h PHE 178 Ca 0.10 -0.16 0.06 0.00 3.53 0.00 0.00 57.97 61.50 3mvp h PHE 178 Cb 0.17 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 3mvp h PHE 178 CO -0.01 0.80 0.62 -0.44 -2.23 0.00 0.00 178.31 177.05 3mvp h ASP 179 N 0.47 1.00 -0.31 0.41 3.32 -0.85 0.42 116.42 120.89 3mvp h ASP 179 Ca 0.06 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 3mvp h ASP 179 Cb 0.78 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3mvp h ASP 179 CO 0.06 0.66 -0.34 -0.26 -1.72 0.00 0.00 179.24 177.64 3mvp h PHE 180 N 1.15 0.93 -0.48 4.55 -1.00 -0.68 -1.52 116.94 119.89 3mvp h PHE 180 Ca 0.41 -0.29 0.03 0.00 2.81 0.00 0.00 57.97 60.93 3mvp h PHE 180 Cb 0.12 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.45 3mvp h PHE 180 CO -0.01 1.06 0.26 0.82 -1.61 0.00 0.00 178.31 178.83 3mvp h ILE 181 N 0.53 1.00 -0.49 -0.55 2.04 -0.66 -1.18 117.51 118.19 3mvp h ILE 181 Ca 0.04 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3mvp h ILE 181 Cb 0.92 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3mvp h ILE 181 CO 0.08 0.09 0.19 0.28 0.00 0.00 0.00 178.15 178.79 3mvp h SER 182 N 0.51 0.69 -0.74 1.72 0.02 -0.81 -1.80 113.55 113.14 3mvp h SER 182 Ca 0.20 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3mvp h SER 182 Cb 0.08 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 3mvp h SER 182 CO -0.12 0.68 0.44 0.00 -1.14 0.00 0.00 176.83 176.69 3mvp h ALA 183 N 1.04 1.01 -0.32 3.77 0.00 -1.02 -1.16 119.26 122.57 3mvp h ALA 183 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3mvp h ALA 183 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3mvp h ALA 183 CO -0.01 0.15 -0.01 1.25 0.00 0.00 0.00 179.25 180.63 3mvp h LEU 184 N 0.81 0.57 -0.48 0.00 5.85 -0.88 -1.68 115.31 119.49 3mvp h LEU 184 Ca 0.33 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3mvp h LEU 184 Cb 0.17 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3mvp h LEU 184 CO -0.17 0.74 0.31 0.58 -0.34 0.00 0.00 178.44 179.55 3mvp h VAL 185 N 0.38 1.09 -0.75 1.05 2.07 -1.07 -2.27 116.25 116.75 3mvp h VAL 185 Ca 0.09 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3mvp h VAL 185 Cb 0.46 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3mvp h VAL 185 CO 0.02 0.11 0.30 0.44 0.02 0.00 0.00 177.57 178.46 3mvp h ASP 186 N 0.62 1.03 -0.51 0.57 3.32 -1.13 0.46 116.42 120.77 3mvp h ASP 186 Ca 0.18 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.12 3mvp h ASP 186 Cb -0.04 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.19 3mvp h ASP 186 CO -0.06 0.92 0.22 -0.08 -1.72 0.00 0.00 179.24 178.52 3mvp h GLU 187 N 1.08 0.41 -0.05 3.56 4.57 -1.05 -1.15 114.58 121.93 3mvp h GLU 187 Ca 0.25 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.21 3mvp h GLU 187 Cb 0.22 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3mvp h GLU 187 CO -0.02 0.27 -0.79 -0.07 -1.18 0.00 0.00 179.01 177.22 3mvp h LEU 188 N 0.42 0.48 0.08 1.64 3.38 -0.91 -3.15 115.31 117.25 3mvp h LEU 188 Ca 0.24 -0.34 -0.27 0.00 0.09 0.00 0.00 57.88 57.61 3mvp h LEU 188 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3mvp h LEU 188 CO -0.21 1.10 -1.29 -0.07 0.09 0.00 0.00 178.44 178.05 3mvp h LEU 189 N 0.25 0.25 -0.58 1.67 3.38 -0.65 -3.38 115.31 116.25 3mvp h LEU 189 Ca -0.04 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3mvp h LEU 189 Cb 1.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3mvp h LEU 189 CO 0.14 1.25 -0.61 -1.22 0.09 0.00 0.00 178.44 178.08 3mvp n TYR 190 N -3.41 0.00 -4.45 1.13 4.02 -0.46 -4.97 117.16 109.02 3mvp n TYR 190 Ca -0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.55 3mvp n TYR 190 Cb 1.01 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 40.19 3mvp n TYR 190 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 3mvp s HIS 191 N -2.47 1.80 0.04 -0.72 3.76 -1.19 -5.08 115.29 111.44 3mvp s HIS 191 Ca 0.13 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.34 3mvp s HIS 191 Cb 0.15 -1.03 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 3mvp s HIS 191 CO 0.62 0.16 1.04 -1.83 -0.85 0.00 0.00 174.74 173.87 3mvp s GLU 192 N -1.57 4.55 0.01 1.40 1.03 -1.26 -4.84 118.70 118.02 3mvp s GLU 192 Ca 0.07 1.54 0.01 0.00 0.03 0.00 0.00 54.97 56.61 3mvp s GLU 192 Cb -0.09 -3.41 -0.01 0.00 -0.80 0.00 0.00 34.13 29.82 3mvp s GLU 192 CO 0.03 -0.06 -0.03 -1.01 -1.33 0.00 0.00 175.26 172.86 3mvp s HIS 193 N 0.79 0.29 0.90 4.83 3.76 -1.26 -5.08 115.29 119.51 3mvp s HIS 193 Ca 0.53 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 55.03 3mvp s HIS 193 Cb -0.24 -0.19 0.14 0.00 1.11 0.00 0.00 32.58 33.40 3mvp s HIS 193 CO 0.29 -0.09 1.16 0.95 -0.85 0.00 0.00 174.74 176.20 3mvp s THR 194 N -0.83 2.04 0.26 1.30 -4.23 -1.26 -4.72 115.64 108.20 3mvp s THR 194 Ca -0.08 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.42 3mvp s THR 194 Cb -0.06 -2.10 0.25 0.00 1.34 0.00 0.00 72.50 71.94 3mvp s THR 194 CO -0.00 -0.02 1.85 0.06 -0.54 0.00 0.00 174.62 175.97 3mvp h GLN 195 N -1.72 0.99 -0.39 3.99 -0.00 -2.01 -1.09 115.11 114.88 3mvp h GLN 195 Ca -0.44 -0.06 -0.11 0.00 -0.00 0.00 0.00 58.65 58.05 3mvp h GLN 195 Cb 1.27 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.48 28.52 3mvp h GLN 195 CO 0.42 0.66 -0.17 1.49 -0.00 0.00 0.00 178.83 181.23 3mvp h GLU 196 N 1.02 0.81 -0.58 0.06 4.57 -1.99 -2.34 114.58 116.13 3mvp h GLU 196 Ca 0.43 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3mvp h GLU 196 Cb 0.29 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3mvp h GLU 196 CO -0.21 0.97 0.13 1.49 -1.18 0.00 0.00 179.01 180.21 3mvp h GLU 197 N 0.62 0.93 -0.74 1.92 4.57 -1.77 -1.22 114.58 118.89 3mvp h GLU 197 Ca 0.09 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 3mvp h GLU 197 Cb 0.72 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 3mvp h GLU 197 CO 0.05 0.87 0.30 0.00 -1.18 0.00 0.00 179.01 179.06 3mvp h ALA 198 N 1.02 1.14 -0.67 2.92 0.00 -1.20 0.11 119.26 122.58 3mvp h ALA 198 Ca 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mvp h ALA 198 Cb 0.36 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3mvp h ALA 198 CO 0.00 0.62 0.24 1.25 0.00 0.00 0.00 179.25 181.36 3mvp h HIS 199 N 1.07 1.05 -0.23 0.00 -0.00 -1.17 -1.96 115.15 113.90 3mvp h HIS 199 Ca 0.25 -0.09 -0.15 0.00 -0.00 0.00 0.00 60.37 60.38 3mvp h HIS 199 Cb 0.19 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 3mvp h HIS 199 CO 0.02 0.83 -0.46 1.96 -0.00 0.00 0.00 177.93 180.28 3mvp h GLN 200 N 0.96 0.60 0.01 5.26 1.08 -0.43 -1.81 115.11 120.76 3mvp h GLN 200 Ca 0.22 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3mvp h GLN 200 Cb 0.25 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3mvp h GLN 200 CO -0.01 0.93 -0.00 0.82 -0.95 0.00 0.00 178.83 179.62 3mvp h ILE 201 N 0.48 1.22 -0.04 2.54 2.04 -0.72 -0.73 117.51 122.29 3mvp h ILE 201 Ca 0.03 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3mvp h ILE 201 Cb 0.98 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 3mvp h ILE 201 CO 0.09 0.17 -0.09 0.50 0.00 0.00 0.00 178.15 178.82 3mvp h LYS 202 N -0.29 -0.13 -0.13 2.37 3.64 -1.35 -0.16 116.57 120.53 3mvp h LYS 202 Ca -0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3mvp h LYS 202 Cb 0.29 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3mvp h LYS 202 CO 0.00 -0.09 0.07 -0.22 -2.27 0.00 0.00 179.45 176.94 3mvp h LYS 203 N -0.13 0.14 -0.43 1.90 3.64 -1.33 0.23 116.57 120.59 3mvp h LYS 203 Ca 0.05 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3mvp h LYS 203 Cb 0.20 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3mvp h LYS 203 CO -0.12 0.09 0.15 1.15 -2.27 0.00 0.00 179.45 178.45 3mvp h THR 204 N 0.15 0.86 0.15 1.00 2.02 -0.96 -0.41 112.91 115.72 3mvp h THR 204 Ca 0.05 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3mvp h THR 204 Cb -0.00 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3mvp h THR 204 CO -0.03 0.06 -0.09 1.23 0.37 0.00 0.00 175.52 177.06 3mvp h GLY 205 N 0.31 -0.23 0.84 2.16 0.00 -0.74 -0.79 103.07 104.62 3mvp h GLY 205 Ca 0.20 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3mvp h GLY 205 CO -0.21 -0.09 0.04 -2.22 0.00 0.00 0.00 176.54 174.06 3mvp h ILE 206 N -0.23 1.18 -0.85 2.60 2.04 -0.78 -1.20 117.51 120.26 3mvp h ILE 206 Ca -0.01 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.37 3mvp h ILE 206 Cb 0.19 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3mvp h ILE 206 CO 0.02 0.16 0.52 0.44 0.00 0.00 0.00 178.15 179.29 3mvp h ASP 207 N 0.01 0.80 -0.47 1.72 3.32 -1.05 -1.01 116.42 119.74 3mvp h ASP 207 Ca 0.04 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3mvp h ASP 207 Cb 0.22 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3mvp h ASP 207 CO -0.00 0.49 -0.06 0.28 -1.72 0.00 0.00 179.24 178.24 3mvp h SER 208 N 0.92 0.87 -0.27 6.45 0.02 -0.93 -1.44 113.55 119.17 3mvp h SER 208 Ca 0.38 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3mvp h SER 208 Cb 0.23 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3mvp h SER 208 CO -0.19 1.00 0.03 -0.07 -1.14 0.00 0.00 176.83 176.45 3mvp h LEU 209 N 0.72 0.44 -1.04 5.07 3.38 -0.86 -1.77 115.31 121.25 3mvp h LEU 209 Ca 0.13 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.91 3mvp h LEU 209 Cb 0.59 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 3mvp h LEU 209 CO 0.04 0.61 0.63 -0.78 0.09 0.00 0.00 178.44 179.02 3mvp h ASP 210 N 0.26 0.97 -0.36 -0.43 3.58 -1.14 -0.97 116.42 118.33 3mvp h ASP 210 Ca 0.08 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 3mvp h ASP 210 Cb 0.36 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 3mvp h ASP 210 CO 0.01 0.58 0.11 0.25 -2.88 0.00 0.00 179.24 177.30 3mvp h LEU 211 N 1.07 0.53 -0.22 2.28 5.85 -0.90 -2.09 115.31 121.83 3mvp h LEU 211 Ca 0.45 -0.21 -0.22 0.00 0.84 0.00 0.00 57.88 58.75 3mvp h LEU 211 Cb 0.32 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.21 3mvp h LEU 211 CO -0.21 0.59 -0.81 0.16 -0.34 0.00 0.00 178.44 177.84 3mvp h ILE 212 N 0.43 1.32 -0.00 4.05 3.07 -0.95 -2.06 117.51 123.37 3mvp h ILE 212 Ca 0.12 -2.10 0.02 0.00 1.55 0.00 0.00 64.86 64.45 3mvp h ILE 212 Cb 0.26 2.10 -0.02 0.00 -0.27 0.00 0.00 36.82 38.89 3mvp h ILE 212 CO -0.00 0.65 -0.09 0.40 -1.05 0.00 0.00 178.15 178.05 3mvp h ILE 213 N 0.42 0.76 0.00 0.16 2.04 -1.22 -2.76 117.51 116.90 3mvp h ILE 213 Ca -0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3mvp h ILE 213 Cb 1.42 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3mvp h ILE 213 CO 0.15 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 178.30 3mvp h LYS 214 N -0.16 0.00 0.00 2.37 1.57 -1.32 -2.53 116.57 116.49 3mvp h LYS 214 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3mvp h LYS 214 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3mvp h LYS 214 CO -0.10 0.12 -0.09 0.66 -0.57 0.00 0.00 179.45 179.47 3mvp h SER 215 N 0.00 0.00 0.11 0.86 4.64 -1.06 -2.54 113.55 115.56 3mvp h SER 215 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mvp h SER 215 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3mvp h SER 215 CO 0.02 0.09 -0.87 -1.22 -0.87 0.00 0.00 176.83 173.98 3mvp n TYR 216 N -3.97 0.00 1.33 4.77 4.01 -0.96 -5.12 117.16 117.21 3mvp n TYR 216 Ca -0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.85 3mvp n TYR 216 Cb 0.18 -0.06 0.38 0.00 -0.31 0.00 0.00 39.34 39.53 3mvp n TYR 216 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68