Assignment Validation Software (AVS)
(c) Hunter Moseley and Gaetano Montelione, 2004
1.D1 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Anomalous
PRTL>> D 0.91 N 0.08
C Shift Assignments>> C :: 173.612(D) CA :: 54.207(D) CB :: 40.973(D) CG :: 179.683(D)
Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79)
N Shift Assignments>> N :: 37.112(A)
Ave N Shift Values>> N :: 120.65(3.86)
1.A2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> A 0.57 M 0.42
C Shift Assignments>> C :: 177.803(D) CA :: 51.914(D) CB :: 15.674(D)
Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83)
N Shift Assignments>> N :: 117.636(D)
Ave N Shift Values>> N :: 123.23(3.54)
1.E3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> E 0.99
C Shift Assignments>> C :: 176.542(D) CA :: 62.554(D) CB :: 29.483(D) CG :: 39.212(D) CD :: 183.628(D)
Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78)
N Shift Assignments>> N :: 121.939(D)
Ave N Shift Values>> N :: 120.67(3.48)
1.F4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> F 0.99
C Shift Assignments>> C :: 175.903(D) CA :: 58.141(D) CB :: 41.747(D) CG :: 137.255(D) CD1 :: 132.657(D) CD2 :: 132.657(D)
CE1 :: 131.756(D) CE2 :: 131.756(D) CZ :: 128.716(D)
Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12)
CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43)
N Shift Assignments>> N :: 114.566(D)
Ave N Shift Values>> N :: 120.45(4.18)
1.R5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> R 0.68 G 0.31
C Shift Assignments>> C :: 173.343(D) CA :: 54.687(D) CB :: 33.703(D) CG :: 27.373(D) CD :: 43.8(D) CZ :: 159.6(D)
Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95)
N Shift Assignments>> N :: 131.278(D) NE :: 85.08(D) NH1 :: 72.865(D) NH2 :: 70.87(D)
Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32)
1.H6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> H 0.99
C Shift Assignments>> C :: 171.838(D) CA :: 51.198(D) CB :: 32.314(D) CG :: 131.487(D) CD2 :: 117.244(D) CE1 :: 137.172(D)
Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12)
N Shift Assignments>> N :: 125.75(D) ND1 :: 181.845(D) NE2 :: 174.708(D)
Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4)
1.D7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> D 0.93 G 0.03 N 0.03
C Shift Assignments>> C :: 174.252(D) CA :: 52.536(D) CB :: 42.249(D) CG :: 179.943(D)
Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79)
N Shift Assignments>> N :: 129.993(D)
Ave N Shift Values>> N :: 120.65(3.86)
1.S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> S 0.99
C Shift Assignments>> C :: 175.482(D) CA :: 55.081(D) CB :: 66.29(D)
Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48)
N Shift Assignments>> N :: 116.203(D)
Ave N Shift Values>> N :: 116.28(3.52)
1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> G 0.92 L 0.05 A 0.01
C Shift Assignments>> C :: 173.823(D) CA :: 47.209(D)
Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34)
N Shift Assignments>> N :: 111.963(D)
Ave N Shift Values>> N :: 109.67(3.87)
1.Y10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> Y 0.98 G 0.01
C Shift Assignments>> C :: 172.774(D) CA :: 57.959(D) CB :: 42.099(D) CD1 :: 133.234(D) CD2 :: 133.234(D) CE1 :: 118.471(D)
CE2 :: 118.471(D) CZ :: 156.54(D)
Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3)
CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99)
N Shift Assignments>> N :: 124.974(D)
Ave N Shift Values>> N :: 120.52(4.2)
1.E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable
PRTL>> E 0.86 D 0.13
C Shift Assignments>> CA :: 54.889(D) CB :: 32.307(D) CG :: 38.092(D) CD :: 183.631(D)
Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78)
1.V12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> V 0.99
C Shift Assignments>> C :: 175.762(D) CA :: 60.555(D) CB :: 34.899(D) CG1 :: 21.528(D) CG2 :: 21.227(D)
Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56)
N Shift Assignments>> N :: 126.012(D)
Ave N Shift Values>> N :: 121.14(4.54)
1.H13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> H 0.98
C Shift Assignments>> C :: 173.609(D) CA :: 50.444(D) CB :: 33.4(D) CG :: 133.072(D) CD2 :: 113.961(D) CE1 :: 139.891(D)
Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12)
N Shift Assignments>> N :: 125.928(D) ND1 :: 191.682(D) NE2 :: 170.029(D)
Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4)
1.H14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> H 0.99
C Shift Assignments>> C :: 173.537(D) CA :: 54.918(D) CB :: 31.967(D) CG :: 135.601(D) CD2 :: 118.597(D) CE1 :: 138.435(D)
Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12)
N Shift Assignments>> N :: 117.994(D) NE2 :: 171.336(D)
Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4)
1.Q15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> N 0.89 E 0.05 Q 0.04
C Shift Assignments>> C :: 175.215(D) CA :: 54.739(D) CB :: 33.029(D) CG :: 30.551(D) CD :: 176.335(D)
Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29)
N Shift Assignments>> N :: 108.738(D) NE2 :: 108.666(D)
Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72)
1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> R 0.72 K 0.24 G 0.02
C Shift Assignments>> C :: 174.18(D) CA :: 55.189(D) CB :: 36.672(D) CG :: 25.725(D) CD :: 30.403(D) CE :: 42.113(D)
Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82)
N Shift Assignments>> N :: 119.78(D) NZ :: 33.669(D)
Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81)
1.L17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> G 0.72 R 0.14 A 0.1 L 0.01
C Shift Assignments>> C :: 175.01(D) CA :: 54.59(D) CB :: 44.697(D) CG :: 30.411(S) CD1 :: 22.752(D) CD2 :: 25.046(D)
Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7)
N Shift Assignments>> N :: 127.908(D)
Ave N Shift Values>> N :: 121.86(3.9)
1.V18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> V 0.99
C Shift Assignments>> C :: 172.818(D) CA :: 61.829(D) CB :: 33.856(D) CG1 :: 22.087(D) CG2 :: 20.226(D)
Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56)
N Shift Assignments>> N :: 123.473(D)
Ave N Shift Values>> N :: 121.14(4.54)
1.F19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> F 0.91 G 0.08
C Shift Assignments>> C :: 174.296(D) CA :: 55.589(D) CB :: 42.482(D) CG :: 142.676(D) CD1 :: 130.88(D) CD2 :: 131.842(D)
CE1 :: 131.606(D) CE2 :: 131.606(D) CZ :: 128.895(D)
Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12)
CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43)
N Shift Assignments>> N :: 129.219(D)
Ave N Shift Values>> N :: 120.45(4.18)
1.F20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> H 0.93 F 0.06
C Shift Assignments>> C :: 170.979(D) CA :: 58.681(D) CB :: 32.908(S) CG :: 142.556(D) CD1 :: 131.436(D) CD2 :: 131.494(D)
CE1 :: 134.003(D) CE2 :: 128.53(D) CZ :: 129.131(D)
Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12)
CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43)
N Shift Assignments>> N :: 117.351(D)
Ave N Shift Values>> N :: 120.45(4.18)
1.A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> A 0.39 L 0.31 G 0.27 K 0.01
C Shift Assignments>> C :: 177.239(D) CA :: 49.018(D) CB :: 23.136(D)
Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83)
N Shift Assignments>> N :: 114.846(D)
Ave N Shift Values>> N :: 123.23(3.54)
1.D22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> D 0.54 E 0.45
C Shift Assignments>> C :: 175.905(D) CA :: 55.795(D) CB :: 38.714(D) CG :: 182.185(D)
Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79)
N Shift Assignments>> N :: 118.088(D)
Ave N Shift Values>> N :: 120.65(3.86)
1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> V 0.75 L 0.14 A 0.08
C Shift Assignments>> C :: 177.17(D) CA :: 58.434(D) CB :: 36.86(D) CG1 :: 21.952(D) CG2 :: 23.087(D)
Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56)
N Shift Assignments>> N :: 118.003(D)
Ave N Shift Values>> N :: 121.14(4.54)
1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> A 0.5 N 0.21 G 0.13 D 0.06 L 0.02 M 0.01 H 0.01 R 0.01
C Shift Assignments>> C :: 175.552(D) CA :: 48.89(D)
Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34)
N Shift Assignments>> N :: 116.687(D)
Ave N Shift Values>> N :: 109.67(3.87)
1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> S 1
C Shift Assignments>> C :: 171.404(D) CA :: 57.844(D) CB :: 66.262(D)
Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48)
N Shift Assignments>> N :: 113.992(D)
Ave N Shift Values>> N :: 116.28(3.52)
1.N26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> N 0.81 D 0.18
C Shift Assignments>> C :: 174.458(D) CA :: 52.728(D) CB :: 40.771(D) CG :: 174.421(D)
Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38)
N Shift Assignments>> N :: 123.927(D)
Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23)
1.K27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> R 0.95 G 0.03 K 0.01
C Shift Assignments>> C :: 174.275(D) CA :: 54.82(D) CB :: 39.452(S) CG :: 25.386(D) CD :: 30.733(D) CE :: 41.812(D)
Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82)
N Shift Assignments>> N :: 119.79(D) NZ :: 34.129(D)
Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81)
1.G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> G 0.77 L 0.15 R 0.03 F 0.01 D 0.01
C Shift Assignments>> C :: 171.005(D) CA :: 44.996(D)
Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34)
N Shift Assignments>> N :: 109.987(D)
Ave N Shift Values>> N :: 109.67(3.87)
1.A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> A 0.97 M 0.01
C Shift Assignments>> C :: 174.895(D) CA :: 50.208(D) CB :: 20.012(D)
Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83)
N Shift Assignments>> N :: 130.948(D)
Ave N Shift Values>> N :: 123.23(3.54)
1.I30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> I 0.92 A 0.07
C Shift Assignments>> C :: 174.453(D) CA :: 57.824(D) CB :: 38.714(D) CG1 :: 27.205(D) CG2 :: 18.497(D) CD1 :: 12.278(D)
Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67)
N Shift Assignments>> N :: 123.871(D)
Ave N Shift Values>> N :: 121.46(4.28)
1.I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> I 0.95 A 0.02 G 0.01
C Shift Assignments>> C :: 175.788(D) CA :: 58.516(D) CB :: 41.838(D) CG1 :: 27.368(D) CG2 :: 17.193(D) CD1 :: 14.086(D)
Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67)
N Shift Assignments>> N :: 125.542(D)
Ave N Shift Values>> N :: 121.46(4.28)
1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> A 0.48 N 0.2 G 0.16 D 0.06 L 0.02 M 0.01 H 0.01
C Shift Assignments>> C :: 171.568(D) CA :: 48.82(D)
Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34)
N Shift Assignments>> N :: 114.261(D)
Ave N Shift Values>> N :: 109.67(3.87)
1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> G 0.71 L 0.27
C Shift Assignments>> C :: 173.836(D) CA :: 54.108(D) CB :: 45.841(D) CG :: 28.164(D) CD1 :: 24.852(D) CD2 :: 25.552(D)
Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7)
N Shift Assignments>> N :: 125.382(D)
Ave N Shift Values>> N :: 121.86(3.9)
1.M34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> A 0.81 M 0.18
C Shift Assignments>> C :: 173.589(D) CA :: 53.673(D) CB :: 37.256(D) CG :: 32.234(D) CE :: 18.577(D)
Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58)
N Shift Assignments>> N :: 125.732(D)
Ave N Shift Values>> N :: 120.09(3.57)
1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> V 0.96 A 0.02
C Shift Assignments>> C :: 176.217(D) CA :: 58.684(D) CB :: 36.085(D) CG1 :: 21.693(D) CG2 :: 21.693(D)
Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56)
N Shift Assignments>> N :: 125.32(D)
Ave N Shift Values>> N :: 121.14(4.54)
1.G36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> G 0.46 A 0.31 N 0.11 D 0.03 L 0.02 M 0.01
C Shift Assignments>> C :: 173.941(D) CA :: 48.381(D)
Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34)
N Shift Assignments>> N :: 117.074(D)
Ave N Shift Values>> N :: 109.67(3.87)
1.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> G 0.76 L 0.15 R 0.03 F 0.01 D 0.01
C Shift Assignments>> C :: 169.835(D) CA :: 44.968(D)
Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34)
N Shift Assignments>> N :: 105.537(D)
Ave N Shift Values>> N :: 109.67(3.87)
1.V38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> V 0.98 L 0.01
C Shift Assignments>> C :: 172.907(D) CA :: 60.602(D) CB :: 36.701(D) CG1 :: 22.986(D) CG2 :: 22.265(D)
Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56)
N Shift Assignments>> N :: 118.44(D)
Ave N Shift Values>> N :: 121.14(4.54)
1.V39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate
PRTL>> V 0.99
C Shift Assignments>> C :: 179.167(D) CA :: 59.952(D) CB :: 33.478(D) CG1 :: 20.263(D) CG2 :: 21.764(D)
Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56)
N Shift Assignments>> N :: 128.052(D)
Ave N Shift Values>> N :: 121.14(4.54)
###########################################################################
Overall Results:
#Consistent: 0 #Clerical: 35 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0
Typing Results:
#Consistent: 39 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0
Shift Relative Order (SRO) Results:
#Consistent: 39 #Suspicious: 0
C Shift Results:
#Consistent: 0 #Duplicate: 184 #Unknown: 0 #Suspicious: 3 #Anomalous: 0
H Shift Results:
#Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0
N Shift Results:
#Consistent: 0 #Duplicate: 48 #Unknown: 0 #Suspicious: 0 #Anomalous: 1
Error Summary:
1.D1 C = 173.612(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.1113e-01
1.D1 CA = 54.207(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.1193e-01
1.D1 CB = 40.973(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.5422e-01
1.D1 CG = 179.683(D), Expected = 179.17, Std = 1.7900, ChiSquare = 7.7442e-01
1.D1 N = 37.112(A), Expected = 120.65, Std = 3.8600, ChiSquare = 0.0000e+00
1.A2 C = 177.803(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7640e-01
1.A2 CA = 51.914(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.3579e-01
1.A2 CB = 15.674(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8311e-02
1.A2 N = 117.636(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.1406e-01
1.E3 C = 176.542(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6642e-01
1.E3 CA = 62.554(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2269e-02
1.E3 CB = 29.483(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.5930e-01
1.E3 CG = 39.212(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.1413e-03
1.E3 CD = 183.628(D), Expected = 182.40, Std = 1.7800, ChiSquare = 4.9027e-01
1.E3 N = 121.939(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1537e-01
1.F4 C = 175.903(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.0823e-01
1.F4 CA = 58.141(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.8106e-01
1.F4 CB = 41.747(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.0053e-01
1.F4 CG = 137.255(D), Expected = 138.41, Std = 2.0400, ChiSquare = 5.7127e-01
1.F4 CD1 = 132.657(D), Expected = 131.58, Std = 1.1800, ChiSquare = 3.6139e-01
1.F4 CD2 = 132.657(D), Expected = 131.63, Std = 1.1200, ChiSquare = 3.5916e-01
1.F4 CE1 = 131.756(D), Expected = 130.71, Std = 1.3000, ChiSquare = 4.2104e-01
1.F4 CE2 = 131.756(D), Expected = 130.76, Std = 1.1300, ChiSquare = 3.7809e-01
1.F4 CZ = 128.716(D), Expected = 129.21, Std = 1.4300, ChiSquare = 7.2975e-01
1.F4 N = 114.566(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.5923e-01
1.R5 C = 173.343(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.3083e-01
1.R5 CA = 54.687(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.6720e-01
1.R5 CB = 33.703(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.0080e-01
1.R5 CG = 27.373(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.9195e-01
1.R5 CD = 43.8(D), Expected = 43.16, Std = 0.8800, ChiSquare = 4.6706e-01
1.R5 CZ = 159.6(D), Expected = 159.97, Std = 2.9500, ChiSquare = 9.0019e-01
1.R5 N = 131.278(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.4094e-03
1.R5 NE = 85.08(D), Expected = 84.63, Std = 1.6800, ChiSquare = 7.8881e-01
1.R5 NH1 = 72.865(D), Expected = 73.82, Std = 4.6200, ChiSquare = 8.3624e-01
1.R5 NH2 = 70.87(D), Expected = 73.26, Std = 3.3200, ChiSquare = 4.7160e-01
1.H6 C = 171.838(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.3277e-02
1.H6 CA = 51.198(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.1228e-02
1.H6 CB = 32.314(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.1638e-01
1.H6 CG = 131.487(D), Expected = 131.52, Std = 3.2700, ChiSquare = 9.9195e-01
1.H6 CD2 = 117.244(D), Expected = 120.49, Std = 3.4200, ChiSquare = 3.4256e-01
1.H6 CE1 = 137.172(D), Expected = 137.71, Std = 2.1200, ChiSquare = 7.9967e-01
1.H6 N = 125.75(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.2977e-01
1.H6 ND1 = 181.845(D), Expected = 195.02, Std = 18.5100, ChiSquare = 4.7660e-01
1.H6 NE2 = 174.708(D), Expected = 182.41, Std = 14.4000, ChiSquare = 5.9275e-01
1.D7 C = 174.252(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.1966e-01
1.D7 CA = 52.536(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.8865e-01
1.D7 CB = 42.249(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.9808e-01
1.D7 CG = 179.943(D), Expected = 179.17, Std = 1.7900, ChiSquare = 6.6585e-01
1.D7 N = 129.993(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.5501e-02
1.S8 C = 175.482(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.1626e-01
1.S8 CA = 55.081(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.8753e-02
1.S8 CB = 66.29(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.2485e-02
1.S8 N = 116.203(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.8255e-01
1.G9 C = 173.823(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8006e-01
1.G9 CA = 47.209(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6535e-01
1.G9 N = 111.963(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5351e-01
1.Y10 C = 172.774(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.8697e-01
1.Y10 CA = 57.959(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.4568e-01
1.Y10 CB = 42.099(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.9824e-01
1.Y10 CD1 = 133.234(D), Expected = 132.77, Std = 1.1700, ChiSquare = 6.9168e-01
1.Y10 CD2 = 133.234(D), Expected = 132.73, Std = 1.3000, ChiSquare = 6.9824e-01
1.Y10 CE1 = 118.471(D), Expected = 117.93, Std = 1.1900, ChiSquare = 6.4938e-01
1.Y10 CE2 = 118.471(D), Expected = 117.90, Std = 1.1800, ChiSquare = 6.2846e-01
1.Y10 CZ = 156.54(D), Expected = 156.76, Std = 1.9900, ChiSquare = 9.1197e-01
1.Y10 N = 124.974(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.8893e-01
1.E11 CA = 54.889(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4477e-01
1.E11 CB = 32.307(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.8172e-01
1.E11 CG = 38.092(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.5804e-02
1.E11 CD = 183.631(D), Expected = 182.40, Std = 1.7800, ChiSquare = 4.8921e-01
1.V12 C = 175.762(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.4042e-01
1.V12 CA = 60.555(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9868e-01
1.V12 CB = 34.899(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.2561e-01
1.V12 CG1 = 21.528(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.7771e-01
1.V12 CG2 = 21.227(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.8312e-01
1.V12 N = 126.012(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.8321e-01
1.H13 C = 173.609(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.0485e-01
1.H13 CA = 50.444(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.5309e-03
1.H13 CB = 33.4(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.2687e-01
1.H13 CG = 133.072(D), Expected = 131.52, Std = 3.2700, ChiSquare = 6.3506e-01
1.H13 CD2 = 113.961(D), Expected = 120.49, Std = 3.4200, ChiSquare = 5.6254e-02
1.H13 CE1 = 139.891(D), Expected = 137.71, Std = 2.1200, ChiSquare = 3.0359e-01
1.H13 N = 125.928(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.1888e-01
1.H13 ND1 = 191.682(D), Expected = 195.02, Std = 18.5100, ChiSquare = 8.5689e-01
1.H13 NE2 = 170.029(D), Expected = 182.41, Std = 14.4000, ChiSquare = 3.8990e-01
1.H14 C = 173.537(D), Expected = 175.25, Std = 1.9700, ChiSquare = 3.8455e-01
1.H14 CA = 54.918(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.8799e-01
1.H14 CB = 31.967(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.0411e-01
1.H14 CG = 135.601(D), Expected = 131.52, Std = 3.2700, ChiSquare = 2.1203e-01
1.H14 CD2 = 118.597(D), Expected = 120.49, Std = 3.4200, ChiSquare = 5.7991e-01
1.H14 CE1 = 138.435(D), Expected = 137.71, Std = 2.1200, ChiSquare = 7.3236e-01
1.H14 N = 117.994(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.7157e-01
1.H14 NE2 = 171.336(D), Expected = 182.41, Std = 14.4000, ChiSquare = 4.4188e-01
1.Q15 C = 175.215(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.7443e-01
1.Q15 CA = 54.739(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.9222e-01
1.Q15 CB = 33.029(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.4915e-02
1.Q15 CG = 30.551(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.8403e-03
1.Q15 CD = 176.335(D), Expected = 179.69, Std = 1.2900, ChiSquare = 9.3013e-03
1.Q15 N = 108.738(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.9498e-03
1.Q15 NE2 = 108.666(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.2492e-02
1.K16 C = 174.18(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.1870e-01
1.K16 CA = 55.189(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2345e-01
1.K16 CB = 36.672(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.9191e-02
1.K16 CG = 25.725(D), Expected = 24.89, Std = 1.1300, ChiSquare = 4.5994e-01
1.K16 CD = 30.403(D), Expected = 28.96, Std = 1.0800, ChiSquare = 1.8151e-01
1.K16 CE = 42.113(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.8566e-01
1.K16 N = 119.78(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3621e-01
1.K16 NZ = 33.669(D), Expected = 33.81, Std = 2.8100, ChiSquare = 9.5998e-01
1.L17 C = 175.01(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.1731e-01
1.L17 CA = 54.59(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.2869e-01
1.L17 CB = 44.697(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.0420e-01
1.L17 CG = 30.411(S), Expected = 26.78, Std = 1.1000, ChiSquare = 9.6372e-04
1.L17 CD1 = 22.752(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.1581e-01
1.L17 CD2 = 25.046(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.5795e-01
1.L17 N = 127.908(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.2096e-01
1.V18 C = 172.818(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.4028e-01
1.V18 CA = 61.829(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.1722e-01
1.V18 CB = 33.856(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.2932e-01
1.V18 CG1 = 22.087(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.6068e-01
1.V18 CG2 = 20.226(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.0745e-01
1.V18 N = 123.473(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0734e-01
1.F19 C = 174.296(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.7219e-01
1.F19 CA = 55.589(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.3242e-01
1.F19 CB = 42.482(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.3313e-01
1.F19 CG = 142.676(D), Expected = 138.41, Std = 2.0400, ChiSquare = 3.6512e-02
1.F19 CD1 = 130.88(D), Expected = 131.58, Std = 1.1800, ChiSquare = 5.5303e-01
1.F19 CD2 = 131.842(D), Expected = 131.63, Std = 1.1200, ChiSquare = 8.4987e-01
1.F19 CE1 = 131.606(D), Expected = 130.71, Std = 1.3000, ChiSquare = 4.9068e-01
1.F19 CE2 = 131.606(D), Expected = 130.76, Std = 1.1300, ChiSquare = 4.5405e-01
1.F19 CZ = 128.895(D), Expected = 129.21, Std = 1.4300, ChiSquare = 8.2565e-01
1.F19 N = 129.219(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.5919e-02
1.F20 C = 170.979(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.5638e-02
1.F20 CA = 58.681(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.1510e-01
1.F20 CB = 32.908(S), Expected = 39.99, Std = 2.0900, ChiSquare = 7.0272e-04
1.F20 CG = 142.556(D), Expected = 138.41, Std = 2.0400, ChiSquare = 4.2118e-02
1.F20 CD1 = 131.436(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.0287e-01
1.F20 CD2 = 131.494(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.0335e-01
1.F20 CE1 = 134.003(D), Expected = 130.71, Std = 1.3000, ChiSquare = 1.1307e-02
1.F20 CE2 = 128.53(D), Expected = 130.76, Std = 1.1300, ChiSquare = 4.8444e-02
1.F20 CZ = 129.131(D), Expected = 129.21, Std = 1.4300, ChiSquare = 9.5594e-01
1.F20 N = 117.351(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.5846e-01
1.A21 C = 177.239(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.1404e-01
1.A21 CA = 49.018(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.7359e-02
1.A21 CB = 23.136(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.4156e-02
1.A21 N = 114.846(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.7867e-02
1.D22 C = 175.905(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.7729e-01
1.D22 CA = 55.795(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.8621e-01
1.D22 CB = 38.714(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.8121e-01
1.D22 CG = 182.185(D), Expected = 179.17, Std = 1.7900, ChiSquare = 9.2113e-02
1.D22 N = 118.088(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.0686e-01
1.V23 C = 177.17(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.1462e-01
1.V23 CA = 58.434(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5614e-01
1.V23 CB = 36.86(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.1040e-02
1.V23 CG1 = 21.952(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.3408e-01
1.V23 CG2 = 23.087(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.4154e-01
1.V23 N = 118.003(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.8959e-01
1.G24 C = 175.552(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.7096e-01
1.G24 CA = 48.89(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2469e-03
1.G24 N = 116.687(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9804e-02
1.S25 C = 171.404(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.1516e-02
1.S25 CA = 57.844(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.7216e-01
1.S25 CB = 66.262(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6210e-02
1.S25 N = 113.992(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.1569e-01
1.N26 C = 174.458(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.5009e-01
1.N26 CA = 52.728(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.6580e-01
1.N26 CB = 40.771(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.1819e-01
1.N26 CG = 174.421(D), Expected = 176.76, Std = 1.3800, ChiSquare = 9.0089e-02
1.N26 N = 123.927(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.1499e-01
1.K27 C = 174.275(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.3701e-01
1.K27 CA = 54.82(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.3295e-01
1.K27 CB = 39.452(S), Expected = 32.79, Std = 1.7800, ChiSquare = 1.8206e-04
1.K27 CG = 25.386(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.6071e-01
1.K27 CD = 30.733(D), Expected = 28.96, Std = 1.0800, ChiSquare = 1.0066e-01
1.K27 CE = 41.812(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.2422e-01
1.K27 N = 119.79(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3822e-01
1.K27 NZ = 34.129(D), Expected = 33.81, Std = 2.8100, ChiSquare = 9.0962e-01
1.G28 C = 171.005(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.2752e-01
1.G28 CA = 44.996(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9164e-01
1.G28 N = 109.987(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3472e-01
1.A29 C = 174.895(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.8165e-01
1.A29 CA = 50.208(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.3866e-01
1.A29 CB = 20.012(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.8401e-01
1.A29 N = 130.948(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.9241e-02
1.I30 C = 174.453(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.6686e-01
1.I30 CA = 57.824(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.5775e-01
1.I30 CB = 38.714(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6683e-01
1.I30 CG1 = 27.205(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.6372e-01
1.I30 CG2 = 18.497(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.7707e-01
1.I30 CD1 = 12.278(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.9031e-01
1.I30 N = 123.871(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7322e-01
1.I31 C = 175.788(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.7424e-01
1.I31 CA = 58.516(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.4830e-01
1.I31 CB = 41.838(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.1226e-01
1.I31 CG1 = 27.368(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.3869e-01
1.I31 CG2 = 17.193(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.0429e-01
1.I31 CD1 = 14.086(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.9446e-01
1.I31 N = 125.542(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.4022e-01
1.G32 C = 171.568(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.2078e-01
1.G32 CA = 48.82(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6101e-03
1.G32 N = 114.261(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3550e-01
1.L33 C = 173.836(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.1118e-01
1.L33 CA = 54.108(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.7779e-01
1.L33 CB = 45.841(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0355e-02
1.L33 CG = 28.164(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.0833e-01
1.L33 CD1 = 24.852(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.3384e-01
1.L33 CD2 = 25.552(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.7695e-01
1.L33 N = 125.382(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6649e-01
1.M34 C = 173.589(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.1508e-01
1.M34 CA = 53.673(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.7447e-01
1.M34 CB = 37.256(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.6850e-02
1.M34 CG = 32.234(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.5665e-01
1.M34 CE = 18.577(D), Expected = 17.07, Std = 1.5800, ChiSquare = 3.4019e-01
1.M34 N = 125.732(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.1402e-01
1.V35 C = 176.217(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.5336e-01
1.V35 CA = 58.684(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.8326e-01
1.V35 CB = 36.085(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.0889e-02
1.V35 CG1 = 21.693(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.8134e-01
1.V35 CG2 = 21.693(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.8135e-01
1.V35 N = 125.32(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.5720e-01
1.G36 C = 173.941(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6987e-01
1.G36 CA = 48.381(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3701e-02
1.G36 N = 117.074(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5725e-02
1.G37 C = 169.835(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.1851e-02
1.G37 CA = 44.968(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7559e-01
1.G37 N = 105.537(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8554e-01
1.V38 C = 172.907(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.5332e-01
1.V38 CA = 60.602(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.0916e-01
1.V38 CB = 36.701(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.6525e-02
1.V38 CG1 = 22.986(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.7133e-01
1.V38 CG2 = 22.265(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.1943e-01
1.V38 N = 118.44(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5203e-01
1.V39 C = 179.167(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.1924e-02
1.V39 CA = 59.952(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.7486e-01
1.V39 CB = 33.478(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.7604e-01
1.V39 CG1 = 20.263(D), Expected = 21.49, Std = 1.3600, ChiSquare = 3.6695e-01
1.V39 CG2 = 21.764(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.4664e-01
1.V39 N = 128.052(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2789e-01